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 3ogm_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 0.000 174.605 174.600 0.009 0.000 1.055 12 S CA 0.000 58.205 58.200 0.008 0.000 1.107 12 S CB 0.000 63.204 63.200 0.007 0.000 0.593 13 C N 2.956 122.262 119.300 0.010 0.000 2.328 13 C HA 0.818 5.279 4.460 0.001 0.000 0.378 13 C C 0.809 175.806 174.990 0.012 0.000 1.249 13 C CA -0.231 58.793 59.018 0.011 0.000 2.204 13 C CB 0.770 28.518 27.740 0.013 0.000 2.218 13 C HN 0.947 nan 8.230 nan 0.000 0.564 14 V N 2.862 122.784 119.914 0.013 0.000 2.788 14 V HA 0.310 4.430 4.120 0.001 0.000 0.307 14 V C 0.826 176.930 176.094 0.017 0.000 1.069 14 V CA 0.141 62.449 62.300 0.014 0.000 1.173 14 V CB -0.138 31.694 31.823 0.014 0.000 0.925 14 V HN 1.031 nan 8.190 nan 0.000 0.492 15 A N 4.199 127.029 122.820 0.017 0.000 2.309 15 A HA 0.597 4.918 4.320 0.001 0.000 0.290 15 A C 0.563 178.164 177.584 0.028 0.000 1.206 15 A CA -0.366 51.684 52.037 0.021 0.000 0.850 15 A CB -0.079 18.931 19.000 0.016 0.000 1.118 15 A HN 0.931 nan 8.150 nan 0.000 0.523 16 T N 1.358 115.934 114.554 0.037 0.000 2.862 16 T HA 0.349 4.699 4.350 0.001 0.000 0.276 16 T C 1.641 176.381 174.700 0.068 0.000 0.974 16 T CA -0.315 61.816 62.100 0.053 0.000 0.966 16 T CB 1.077 69.982 68.868 0.061 0.000 1.072 16 T HN 0.376 nan 8.240 nan 0.000 0.538 17 V N 0.218 120.193 119.914 0.101 0.000 2.490 17 V HA -0.142 3.978 4.120 0.001 0.000 0.250 17 V C 2.321 178.499 176.094 0.141 0.000 1.061 17 V CA 1.871 64.256 62.300 0.142 0.000 1.064 17 V CB -0.937 31.036 31.823 0.250 0.000 0.670 17 V HN 0.882 nan 8.190 nan 0.000 0.461 18 D N 0.752 121.246 120.400 0.156 0.000 2.158 18 D HA -0.203 4.437 4.640 0.001 0.000 0.197 18 D C 1.607 177.943 176.300 0.061 0.000 0.995 18 D CA 1.356 55.436 54.000 0.134 0.000 0.846 18 D CB -0.212 40.663 40.800 0.125 0.000 0.941 18 D HN 0.434 nan 8.370 nan 0.000 0.456 19 D N -0.679 119.750 120.400 0.049 0.000 2.352 19 D HA -0.027 4.613 4.640 0.001 0.000 0.232 19 D C 0.896 177.201 176.300 0.008 0.000 1.055 19 D CA 0.187 54.203 54.000 0.026 0.000 0.891 19 D CB 1.095 41.910 40.800 0.025 0.000 0.897 19 D HN 0.132 nan 8.370 nan 0.000 0.529 20 V N 0.171 120.084 119.914 -0.002 0.000 3.623 20 V HA 0.012 4.133 4.120 0.001 0.000 0.283 20 V C 1.117 177.174 176.094 -0.061 0.000 1.643 20 V CA -0.116 62.171 62.300 -0.022 0.000 1.121 20 V CB 0.637 32.453 31.823 -0.013 0.000 0.933 20 V HN -0.070 nan 8.190 nan 0.000 0.420 21 I N 0.802 121.312 120.570 -0.101 0.000 2.500 21 I HA -0.029 4.141 4.170 0.001 0.000 0.252 21 I C 2.048 178.028 176.117 -0.228 0.000 1.142 21 I CA 1.947 63.100 61.300 -0.245 0.000 1.451 21 I CB -0.117 37.614 38.000 -0.448 0.000 1.093 21 I HN 0.376 nan 8.210 nan 0.000 0.430 22 E N 0.096 120.209 120.200 -0.144 0.000 2.097 22 E HA -0.279 4.072 4.350 0.001 0.000 0.196 22 E C 2.066 178.633 176.600 -0.056 0.000 1.000 22 E CA 1.456 57.797 56.400 -0.098 0.000 0.804 22 E CB -0.220 29.447 29.700 -0.054 0.000 0.740 22 E HN 0.643 nan 8.360 nan 0.000 0.454 23 Q N 0.256 120.040 119.800 -0.027 0.000 2.016 23 Q HA -0.109 4.231 4.340 0.001 0.000 0.200 23 Q C 2.540 178.600 176.000 0.100 0.000 0.978 23 Q CA 1.162 56.989 55.803 0.041 0.000 0.833 23 Q CB -0.173 28.583 28.738 0.030 0.000 0.895 23 Q HN 0.204 nan 8.270 nan 0.000 0.427 24 V N 1.272 121.190 119.914 0.006 0.000 2.343 24 V HA -0.289 3.831 4.120 0.001 0.000 0.247 24 V C 2.376 178.516 176.094 0.076 0.000 1.051 24 V CA 1.774 64.080 62.300 0.011 0.000 1.036 24 V CB -0.572 31.198 31.823 -0.089 0.000 0.654 24 V HN 0.319 nan 8.190 nan 0.000 0.451 25 M N 1.644 121.217 119.600 -0.046 0.000 2.108 25 M HA -0.205 4.276 4.480 0.001 0.000 0.257 25 M C 2.141 178.445 176.300 0.006 0.000 1.071 25 M CA 2.584 57.844 55.300 -0.067 0.000 1.093 25 M CB -0.880 31.639 32.600 -0.134 0.000 1.345 25 M HN 0.571 nan 8.290 nan 0.000 0.403 26 T N -2.694 111.875 114.554 0.024 0.000 3.215 26 T HA -0.058 4.292 4.350 0.001 0.000 0.254 26 T C 0.818 175.418 174.700 -0.166 0.000 1.149 26 T CA 0.636 62.694 62.100 -0.070 0.000 1.042 26 T CB -0.712 68.086 68.868 -0.117 0.000 0.966 26 T HN 0.498 nan 8.240 nan 0.000 0.534 27 Y N 0.536 120.811 120.300 -0.041 0.000 2.467 27 Y HA 0.498 5.049 4.550 0.001 0.000 0.250 27 Y C 0.703 176.590 175.900 -0.022 0.000 1.155 27 Y CA -1.275 56.808 58.100 -0.029 0.000 1.249 27 Y CB 0.301 38.746 38.460 -0.025 0.000 1.146 27 Y HN 0.278 nan 8.280 nan 0.000 0.524 28 I N 0.235 120.861 120.570 0.094 0.000 2.297 28 I HA 0.102 4.273 4.170 0.001 0.000 0.291 28 I C 1.200 177.327 176.117 0.016 0.000 1.033 28 I CA 0.044 61.377 61.300 0.056 0.000 1.253 28 I CB 1.438 39.468 38.000 0.051 0.000 1.396 28 I HN -0.009 nan 8.210 nan 0.000 0.476 29 T N 2.569 117.128 114.554 0.010 0.000 3.004 29 T HA -0.046 4.305 4.350 0.001 0.000 0.243 29 T C 0.822 175.512 174.700 -0.015 0.000 1.020 29 T CA 0.243 62.332 62.100 -0.017 0.000 1.145 29 T CB 0.011 68.864 68.868 -0.024 0.000 0.876 29 T HN 0.594 nan 8.240 nan 0.000 0.449 30 D N 2.297 122.698 120.400 0.002 0.000 2.570 30 D HA 0.038 4.678 4.640 0.001 0.000 0.243 30 D C -1.679 174.627 176.300 0.010 0.000 1.171 30 D CA -1.550 52.453 54.000 0.005 0.000 0.879 30 D CB 1.433 42.246 40.800 0.022 0.000 1.143 30 D HN 0.170 nan 8.370 nan 0.000 0.511 31 P HA -0.143 nan 4.420 nan 0.000 0.219 31 P C 0.937 178.260 177.300 0.037 0.000 1.146 31 P CA 1.111 64.215 63.100 0.007 0.000 0.808 31 P CB 0.296 31.992 31.700 -0.008 0.000 0.779 32 K N -0.908 119.516 120.400 0.040 0.000 2.400 32 K HA -0.006 4.315 4.320 0.001 0.000 0.194 32 K C 1.326 177.965 176.600 0.065 0.000 1.033 32 K CA 0.847 57.167 56.287 0.055 0.000 1.021 32 K CB -0.379 32.151 32.500 0.050 0.000 0.808 32 K HN -0.018 nan 8.250 nan 0.000 0.505 33 D N -0.452 119.986 120.400 0.064 0.000 2.262 33 D HA 0.005 4.646 4.640 0.001 0.000 0.212 33 D C 1.629 177.990 176.300 0.100 0.000 0.964 33 D CA 0.316 54.364 54.000 0.080 0.000 0.875 33 D CB 0.282 41.125 40.800 0.071 0.000 0.996 33 D HN -0.016 nan 8.370 nan 0.000 0.497 34 R N 1.082 121.633 120.500 0.086 0.000 2.083 34 R HA -0.127 4.213 4.340 0.001 0.000 0.237 34 R C 1.723 178.104 176.300 0.135 0.000 1.137 34 R CA 0.946 57.106 56.100 0.101 0.000 0.951 34 R CB -0.914 29.428 30.300 0.069 0.000 0.851 34 R HN 0.241 nan 8.270 nan 0.000 0.434 35 D N 0.161 120.634 120.400 0.121 0.000 2.149 35 D HA -0.135 4.505 4.640 0.001 0.000 0.194 35 D C 1.609 177.992 176.300 0.138 0.000 1.001 35 D CA 1.947 56.027 54.000 0.134 0.000 0.849 35 D CB 0.125 40.989 40.800 0.107 0.000 0.939 35 D HN 0.111 nan 8.370 nan 0.000 0.449 36 S N -0.612 115.164 115.700 0.127 0.000 2.362 36 S HA 0.016 4.487 4.470 0.001 0.000 0.221 36 S C 2.099 176.801 174.600 0.170 0.000 1.032 36 S CA 0.687 58.961 58.200 0.123 0.000 0.973 36 S CB -0.329 62.932 63.200 0.102 0.000 0.849 36 S HN 0.403 nan 8.310 nan 0.000 0.465 37 A N 2.097 125.050 122.820 0.221 0.000 2.032 37 A HA -0.139 4.181 4.320 0.001 0.000 0.221 37 A C 2.261 180.081 177.584 0.393 0.000 1.165 37 A CA 1.958 54.216 52.037 0.367 0.000 0.645 37 A CB -0.874 18.320 19.000 0.322 0.000 0.807 37 A HN 0.617 nan 8.150 nan 0.000 0.453 38 S N -1.086 114.786 115.700 0.287 0.000 2.522 38 S HA 0.146 4.616 4.470 0.001 0.000 0.227 38 S C 1.308 176.120 174.600 0.352 0.000 0.986 38 S CA 0.912 59.305 58.200 0.323 0.000 0.929 38 S CB -0.281 63.088 63.200 0.281 0.000 0.769 38 S HN 0.429 nan 8.310 nan 0.000 0.529 39 L N 1.604 122.964 121.223 0.228 0.000 2.693 39 L HA 0.307 4.648 4.340 0.001 0.000 0.235 39 L C 2.029 178.929 176.870 0.049 0.000 1.127 39 L CA 0.103 55.021 54.840 0.131 0.000 0.914 39 L CB 0.672 42.783 42.059 0.087 0.000 1.193 39 L HN 0.380 nan 8.230 nan 0.000 0.502 40 V N -2.295 117.636 119.914 0.029 0.000 2.951 40 V HA 0.061 4.181 4.120 0.001 0.000 0.255 40 V C 0.672 176.642 176.094 -0.207 0.000 1.088 40 V CA 0.561 62.756 62.300 -0.175 0.000 1.109 40 V CB -0.346 31.189 31.823 -0.482 0.000 0.724 40 V HN 0.560 nan 8.190 nan 0.000 0.471 41 C N -2.133 117.133 119.300 -0.056 0.000 2.986 41 C HA 0.394 4.854 4.460 0.001 0.000 0.326 41 C C 1.201 176.266 174.990 0.126 0.000 1.335 41 C CA -0.278 58.728 59.018 -0.020 0.000 1.223 41 C CB 0.850 28.528 27.740 -0.105 0.000 1.354 41 C HN 0.357 nan 8.230 nan 0.000 0.447 42 R N 0.201 120.761 120.500 0.100 0.000 2.081 42 R HA -0.045 4.295 4.340 0.001 0.000 0.235 42 R C 2.495 178.951 176.300 0.261 0.000 1.131 42 R CA 1.826 58.011 56.100 0.142 0.000 0.960 42 R CB -0.260 30.083 30.300 0.072 0.000 0.856 42 R HN 0.692 nan 8.270 nan 0.000 0.436 43 R N -0.181 120.476 120.500 0.263 0.000 2.073 43 R HA -0.139 4.202 4.340 0.001 0.000 0.229 43 R C 1.780 178.283 176.300 0.340 0.000 1.120 43 R CA 1.308 57.575 56.100 0.279 0.000 0.967 43 R CB -0.109 30.352 30.300 0.269 0.000 0.862 43 R HN 0.231 nan 8.270 nan 0.000 0.436 44 W N 0.098 121.461 121.300 0.104 0.000 2.363 44 W HA -0.181 4.480 4.660 0.001 0.000 0.296 44 W C 1.996 178.587 176.519 0.120 0.000 1.212 44 W CA 0.795 58.198 57.345 0.097 0.000 1.260 44 W CB -0.907 28.608 29.460 0.092 0.000 1.131 44 W HN 0.090 nan 8.180 nan 0.000 0.530 45 F N 1.536 121.637 119.950 0.252 0.000 2.102 45 F HA -0.202 4.325 4.527 0.001 0.000 0.298 45 F C 2.378 178.235 175.800 0.094 0.000 1.105 45 F CA 2.334 60.420 58.000 0.145 0.000 1.239 45 F CB -0.585 38.471 39.000 0.094 0.000 0.991 45 F HN -0.227 nan 8.300 nan 0.000 0.474 46 K N 0.424 120.897 120.400 0.123 0.000 2.097 46 K HA -0.134 4.186 4.320 0.001 0.000 0.206 46 K C 2.064 178.617 176.600 -0.079 0.000 1.049 46 K CA 1.887 58.162 56.287 -0.021 0.000 0.933 46 K CB -0.306 32.260 32.500 0.110 0.000 0.717 46 K HN 0.402 nan 8.250 nan 0.000 0.442 47 I N 0.680 121.231 120.570 -0.031 0.000 2.439 47 I HA -0.225 3.945 4.170 0.001 0.000 0.251 47 I C 1.994 178.067 176.117 -0.074 0.000 1.139 47 I CA 1.338 62.599 61.300 -0.065 0.000 1.438 47 I CB -0.237 37.694 38.000 -0.116 0.000 1.085 47 I HN 0.306 nan 8.210 nan 0.000 0.427 48 D N 0.186 120.544 120.400 -0.071 0.000 2.097 48 D HA -0.238 4.403 4.640 0.001 0.000 0.197 48 D C 2.298 178.595 176.300 -0.006 0.000 0.984 48 D CA 1.604 55.587 54.000 -0.029 0.000 0.826 48 D CB -0.010 40.800 40.800 0.018 0.000 0.973 48 D HN 0.137 nan 8.370 nan 0.000 0.460 49 S N -0.508 115.082 115.700 -0.184 0.000 2.374 49 S HA -0.264 4.206 4.470 0.001 0.000 0.227 49 S C 1.788 176.398 174.600 0.016 0.000 1.037 49 S CA 1.713 59.800 58.200 -0.188 0.000 1.024 49 S CB -0.493 62.419 63.200 -0.480 0.000 0.861 49 S HN 0.409 nan 8.310 nan 0.000 0.456 50 E N -0.425 119.763 120.200 -0.021 0.000 2.478 50 E HA 0.038 4.389 4.350 0.001 0.000 0.194 50 E C 1.723 178.331 176.600 0.014 0.000 1.045 50 E CA 1.000 57.404 56.400 0.007 0.000 0.868 50 E CB 0.244 29.937 29.700 -0.012 0.000 0.885 50 E HN 0.857 nan 8.360 nan 0.000 0.505 51 T N -2.369 112.193 114.554 0.012 0.000 2.971 51 T HA 0.167 4.517 4.350 0.001 0.000 0.252 51 T C 0.908 175.597 174.700 -0.019 0.000 1.022 51 T CA -0.517 61.577 62.100 -0.010 0.000 0.980 51 T CB 0.195 69.044 68.868 -0.032 0.000 1.044 51 T HN -0.180 nan 8.240 nan 0.000 0.501 52 R N 1.951 122.451 120.500 -0.000 0.000 2.585 52 R HA 0.141 4.482 4.340 0.001 0.000 0.275 52 R C 0.957 177.180 176.300 -0.129 0.000 1.018 52 R CA 0.640 56.672 56.100 -0.113 0.000 1.072 52 R CB 0.213 30.319 30.300 -0.323 0.000 0.953 52 R HN 0.424 nan 8.270 nan 0.000 0.419 53 E N 1.031 121.156 120.200 -0.124 0.000 2.256 53 E HA 0.003 4.353 4.350 0.001 0.000 0.198 53 E C -0.174 176.378 176.600 -0.080 0.000 0.908 53 E CA 0.128 56.479 56.400 -0.082 0.000 0.915 53 E CB 0.222 29.893 29.700 -0.048 0.000 0.890 53 E HN 0.482 nan 8.360 nan 0.000 0.484 54 H N 0.589 119.543 119.070 -0.193 0.000 2.538 54 H HA 0.466 5.023 4.556 0.001 0.000 0.353 54 H C -1.449 173.732 175.328 -0.245 0.000 1.109 54 H CA -0.527 55.413 56.048 -0.180 0.000 1.192 54 H CB 1.307 30.993 29.762 -0.127 0.000 1.555 54 H HN -0.184 nan 8.280 nan 0.000 0.518 55 V N 4.123 123.823 119.914 -0.357 0.000 2.789 55 V HA 0.338 4.458 4.120 0.001 0.000 0.311 55 V C -0.247 175.735 176.094 -0.187 0.000 1.073 55 V CA -0.674 61.507 62.300 -0.198 0.000 0.921 55 V CB 2.249 33.922 31.823 -0.251 0.000 1.009 55 V HN 0.891 nan 8.190 nan 0.000 0.426 56 T N 5.455 120.004 114.554 -0.007 0.000 2.812 56 T HA 0.582 4.933 4.350 0.001 0.000 0.282 56 T C -0.419 174.253 174.700 -0.047 0.000 0.990 56 T CA -0.375 61.711 62.100 -0.024 0.000 0.960 56 T CB 1.129 70.028 68.868 0.050 0.000 0.948 56 T HN 0.486 nan 8.240 nan 0.000 0.438 57 M N 2.718 122.253 119.600 -0.110 0.000 2.066 57 M HA 0.415 4.895 4.480 0.001 0.000 0.340 57 M C 1.260 177.501 176.300 -0.098 0.000 1.053 57 M CA -0.832 54.417 55.300 -0.084 0.000 0.983 57 M CB 1.521 34.036 32.600 -0.142 0.000 1.520 57 M HN 0.790 nan 8.290 nan 0.000 0.428 58 A N 4.421 127.211 122.820 -0.051 0.000 2.015 58 A HA 0.109 4.429 4.320 0.001 0.000 0.219 58 A C 0.787 178.324 177.584 -0.079 0.000 1.163 58 A CA 1.053 53.038 52.037 -0.086 0.000 0.646 58 A CB 0.270 19.225 19.000 -0.075 0.000 0.806 58 A HN 0.738 nan 8.150 nan 0.000 0.448 59 L N -0.148 121.069 121.223 -0.011 0.000 2.470 59 L HA 0.215 4.555 4.340 0.001 0.000 0.268 59 L C 0.894 177.767 176.870 0.004 0.000 0.964 59 L CA -0.695 54.161 54.840 0.026 0.000 0.839 59 L CB 1.890 44.024 42.059 0.124 0.000 1.276 59 L HN 0.462 nan 8.230 nan 0.000 0.403 60 C N 1.441 120.679 119.300 -0.103 0.000 2.448 60 C HA -0.027 4.434 4.460 0.001 0.000 0.280 60 C C 1.709 176.718 174.990 0.032 0.000 1.398 60 C CA -0.003 58.920 59.018 -0.159 0.000 1.774 60 C CB -1.336 26.180 27.740 -0.373 0.000 1.888 60 C HN 0.777 nan 8.230 nan 0.000 0.519 61 Y N 1.053 121.450 120.300 0.161 0.000 2.502 61 Y HA 0.061 4.611 4.550 0.001 0.000 0.295 61 Y C 2.716 178.773 175.900 0.263 0.000 1.193 61 Y CA 0.788 58.997 58.100 0.183 0.000 1.295 61 Y CB -0.326 38.168 38.460 0.057 0.000 1.059 61 Y HN 0.324 nan 8.280 nan 0.000 0.514 62 T N -0.338 114.426 114.554 0.351 0.000 3.043 62 T HA 0.355 4.705 4.350 0.001 0.000 0.263 62 T C 0.433 175.327 174.700 0.323 0.000 1.094 62 T CA 0.728 63.044 62.100 0.360 0.000 1.127 62 T CB -0.103 68.940 68.868 0.292 0.000 0.905 62 T HN 0.278 nan 8.240 nan 0.000 0.490 63 A N -0.030 122.986 122.820 0.327 0.000 2.604 63 A HA 0.583 4.904 4.320 0.001 0.000 0.295 63 A C -0.205 177.534 177.584 0.258 0.000 1.067 63 A CA -0.865 51.339 52.037 0.278 0.000 0.683 63 A CB 0.706 19.859 19.000 0.255 0.000 1.281 63 A HN 0.178 nan 8.150 nan 0.000 0.407 64 T N 2.228 116.861 114.554 0.131 0.000 2.937 64 T HA 0.284 4.635 4.350 0.001 0.000 0.316 64 T C -1.882 172.716 174.700 -0.171 0.000 1.079 64 T CA -0.110 61.974 62.100 -0.027 0.000 1.131 64 T CB 0.214 69.075 68.868 -0.012 0.000 1.000 64 T HN 0.405 nan 8.240 nan 0.000 0.549 65 P HA -0.008 nan 4.420 nan 0.000 0.229 65 P C 1.018 178.186 177.300 -0.221 0.000 1.160 65 P CA 0.533 63.154 63.100 -0.799 0.000 0.777 65 P CB 0.126 31.068 31.700 -1.265 0.000 0.814 66 D N -0.039 120.261 120.400 -0.166 0.000 2.117 66 D HA -0.174 4.467 4.640 0.001 0.000 0.198 66 D C 2.127 178.427 176.300 -0.001 0.000 0.982 66 D CA 0.977 54.940 54.000 -0.063 0.000 0.828 66 D CB -0.296 40.471 40.800 -0.054 0.000 0.967 66 D HN -0.114 nan 8.370 nan 0.000 0.464 67 R N -0.462 120.050 120.500 0.020 0.000 2.091 67 R HA -0.142 4.199 4.340 0.001 0.000 0.238 67 R C 2.330 178.675 176.300 0.076 0.000 1.136 67 R CA 1.313 57.446 56.100 0.055 0.000 0.959 67 R CB -0.436 29.915 30.300 0.084 0.000 0.856 67 R HN 0.324 nan 8.270 nan 0.000 0.437 68 L N 0.518 121.827 121.223 0.143 0.000 2.027 68 L HA -0.123 4.217 4.340 0.001 0.000 0.206 68 L C 2.299 179.270 176.870 0.168 0.000 1.074 68 L CA 2.376 57.346 54.840 0.217 0.000 0.745 68 L CB -0.524 41.761 42.059 0.377 0.000 0.898 68 L HN 0.307 nan 8.230 nan 0.000 0.433 69 S N -0.564 115.214 115.700 0.130 0.000 2.423 69 S HA -0.229 4.242 4.470 0.001 0.000 0.231 69 S C 2.198 176.832 174.600 0.058 0.000 1.014 69 S CA 0.937 59.199 58.200 0.103 0.000 0.965 69 S CB -0.662 62.581 63.200 0.073 0.000 0.785 69 S HN 0.632 nan 8.310 nan 0.000 0.495 70 R N 1.284 121.802 120.500 0.030 0.000 2.062 70 R HA 0.056 4.397 4.340 0.001 0.000 0.229 70 R C 2.551 178.823 176.300 -0.047 0.000 1.128 70 R CA 1.341 57.444 56.100 0.005 0.000 0.960 70 R CB -0.304 30.003 30.300 0.011 0.000 0.855 70 R HN 0.410 nan 8.270 nan 0.000 0.432 71 R N -0.367 120.056 120.500 -0.128 0.000 2.115 71 R HA -0.002 4.339 4.340 0.001 0.000 0.226 71 R C -0.110 175.815 176.300 -0.625 0.000 1.100 71 R CA 1.403 57.258 56.100 -0.409 0.000 0.980 71 R CB 0.123 30.088 30.300 -0.558 0.000 0.875 71 R HN 0.295 nan 8.270 nan 0.000 0.445 72 F N -0.538 119.415 119.950 0.005 0.000 2.593 72 F HA 0.366 4.894 4.527 0.001 0.000 0.336 72 F C -1.843 173.955 175.800 -0.003 0.000 1.491 72 F CA -2.163 55.828 58.000 -0.015 0.000 1.114 72 F CB 1.947 40.945 39.000 -0.005 0.000 1.468 72 F HN -0.037 nan 8.300 nan 0.000 0.579 73 P HA -0.158 nan 4.420 nan 0.000 0.220 73 P C -0.015 177.329 177.300 0.074 0.000 1.144 73 P CA 1.625 64.774 63.100 0.082 0.000 0.800 73 P CB 0.095 31.822 31.700 0.046 0.000 0.772 74 N N -1.374 117.374 118.700 0.081 0.000 2.338 74 N HA 0.169 4.909 4.740 0.001 0.000 0.251 74 N C -0.265 175.259 175.510 0.022 0.000 1.199 74 N CA -0.348 52.727 53.050 0.042 0.000 0.879 74 N CB 0.025 38.529 38.487 0.027 0.000 1.159 74 N HN 0.042 nan 8.380 nan 0.000 0.514 75 L N 1.053 122.293 121.223 0.030 0.000 2.573 75 L HA -0.046 4.294 4.340 0.001 0.000 0.290 75 L C 1.382 178.230 176.870 -0.038 0.000 1.247 75 L CA 0.571 55.393 54.840 -0.029 0.000 0.876 75 L CB 0.529 42.572 42.059 -0.028 0.000 1.123 75 L HN 0.328 nan 8.230 nan 0.000 0.505 76 R N 0.854 121.318 120.500 -0.060 0.000 2.287 76 R HA 0.180 4.521 4.340 0.001 0.000 0.197 76 R C 0.217 176.474 176.300 -0.072 0.000 0.900 76 R CA 0.175 56.245 56.100 -0.050 0.000 1.052 76 R CB 0.693 30.970 30.300 -0.037 0.000 1.117 76 R HN 0.548 nan 8.270 nan 0.000 0.568 77 S N 0.692 116.321 115.700 -0.117 0.000 2.538 77 S HA 0.632 5.103 4.470 0.001 0.000 0.288 77 S C -1.681 172.674 174.600 -0.409 0.000 1.108 77 S CA -0.623 57.465 58.200 -0.188 0.000 0.971 77 S CB 1.077 64.254 63.200 -0.040 0.000 1.041 77 S HN 0.070 nan 8.310 nan 0.000 0.483 78 L N 3.730 124.728 121.223 -0.374 0.000 2.409 78 L HA 0.761 5.102 4.340 0.001 0.000 0.262 78 L C -1.279 175.391 176.870 -0.333 0.000 0.992 78 L CA -0.276 54.332 54.840 -0.387 0.000 0.817 78 L CB 1.951 43.891 42.059 -0.199 0.000 1.350 78 L HN 0.737 nan 8.230 nan 0.000 0.411 79 K N 4.868 125.081 120.400 -0.312 0.000 2.601 79 K HA 0.624 4.945 4.320 0.001 0.000 0.249 79 K C -2.176 174.281 176.600 -0.238 0.000 0.966 79 K CA -0.473 55.671 56.287 -0.237 0.000 0.827 79 K CB 1.119 33.502 32.500 -0.195 0.000 1.178 79 K HN 0.703 nan 8.250 nan 0.000 0.437 80 L N 4.142 125.251 121.223 -0.191 0.000 2.341 80 L HA 0.544 4.884 4.340 0.001 0.000 0.278 80 L C -0.481 176.283 176.870 -0.178 0.000 1.005 80 L CA -0.991 53.699 54.840 -0.251 0.000 0.818 80 L CB 1.936 43.768 42.059 -0.379 0.000 1.259 80 L HN 0.478 nan 8.230 nan 0.000 0.418 81 K N 1.233 121.516 120.400 -0.195 0.000 2.207 81 K HA 0.591 4.912 4.320 0.001 0.000 0.255 81 K C 0.265 176.798 176.600 -0.111 0.000 0.941 81 K CA -0.492 55.710 56.287 -0.142 0.000 0.825 81 K CB 2.608 35.016 32.500 -0.154 0.000 1.119 81 K HN 0.756 nan 8.250 nan 0.000 0.430 82 G N 2.143 110.914 108.800 -0.049 0.000 2.508 82 G HA2 0.078 4.039 3.960 0.001 0.000 0.217 82 G HA3 0.078 4.039 3.960 0.001 0.000 0.217 82 G C -0.430 174.581 174.900 0.185 0.000 2.004 82 G CA -0.290 44.847 45.100 0.062 0.000 0.750 82 G HN 0.401 nan 8.290 nan 0.000 0.730 83 K N 1.766 122.252 120.400 0.142 0.000 2.518 83 K HA 0.166 4.486 4.320 0.001 0.000 0.276 83 K C -2.311 174.134 176.600 -0.259 0.000 0.974 83 K CA -0.875 55.306 56.287 -0.177 0.000 0.986 83 K CB 0.502 32.920 32.500 -0.136 0.000 0.901 83 K HN 0.113 nan 8.250 nan 0.000 0.497 84 P HA 0.043 nan 4.420 nan 0.000 0.271 84 P C 0.207 177.326 177.300 -0.302 0.000 1.233 84 P CA -0.201 62.742 63.100 -0.262 0.000 0.789 84 P CB 0.526 32.022 31.700 -0.341 0.000 0.951 85 R N 1.315 121.664 120.500 -0.251 0.000 2.170 85 R HA -0.189 4.152 4.340 0.001 0.000 0.242 85 R C 2.004 178.212 176.300 -0.153 0.000 1.145 85 R CA 1.774 57.766 56.100 -0.180 0.000 0.984 85 R CB -0.876 29.361 30.300 -0.106 0.000 0.869 85 R HN 0.533 nan 8.270 nan 0.000 0.455 86 A N 0.883 123.452 122.820 -0.418 0.000 2.024 86 A HA -0.135 4.186 4.320 0.001 0.000 0.220 86 A C 2.286 179.762 177.584 -0.180 0.000 1.164 86 A CA 1.573 53.356 52.037 -0.423 0.000 0.643 86 A CB -0.497 17.743 19.000 -1.267 0.000 0.806 86 A HN 0.417 nan 8.150 nan 0.000 0.451 87 A N -0.607 122.061 122.820 -0.253 0.000 2.024 87 A HA -0.109 4.211 4.320 0.001 0.000 0.220 87 A C 2.045 179.543 177.584 -0.142 0.000 1.164 87 A CA 1.630 53.562 52.037 -0.174 0.000 0.643 87 A CB -0.546 18.339 19.000 -0.190 0.000 0.806 87 A HN 0.547 nan 8.150 nan 0.000 0.451 88 M N -1.648 117.833 119.600 -0.197 0.000 2.659 88 M HA 0.088 4.569 4.480 0.001 0.000 0.243 88 M C -0.220 175.676 176.300 -0.674 0.000 1.111 88 M CA 0.747 55.797 55.300 -0.417 0.000 1.070 88 M CB 0.019 32.297 32.600 -0.536 0.000 1.525 88 M HN 0.449 nan 8.290 nan 0.000 0.517 89 F N -0.190 119.715 119.950 -0.075 0.000 2.835 89 F HA 0.309 4.837 4.527 0.001 0.000 0.342 89 F C 0.271 176.063 175.800 -0.013 0.000 1.202 89 F CA -0.820 57.160 58.000 -0.033 0.000 1.240 89 F CB -0.154 38.833 39.000 -0.022 0.000 1.005 89 F HN 0.087 nan 8.300 nan 0.000 0.507 90 N N 1.720 120.453 118.700 0.055 0.000 2.714 90 N HA -0.212 4.529 4.740 0.001 0.000 0.252 90 N C 0.491 176.042 175.510 0.068 0.000 1.014 90 N CA 0.650 53.724 53.050 0.040 0.000 0.735 90 N CB -1.133 37.381 38.487 0.046 0.000 0.924 90 N HN 0.476 nan 8.380 nan 0.000 0.540 91 L N -1.011 120.256 121.223 0.073 0.000 2.701 91 L HA 0.284 4.625 4.340 0.001 0.000 0.238 91 L C 0.474 177.448 176.870 0.174 0.000 1.106 91 L CA 0.234 55.156 54.840 0.137 0.000 0.898 91 L CB 0.376 42.540 42.059 0.175 0.000 1.188 91 L HN 0.112 nan 8.230 nan 0.000 0.508 92 I N 1.070 121.659 120.570 0.032 0.000 2.404 92 I HA 0.361 4.532 4.170 0.001 0.000 0.293 92 I C -2.166 173.967 176.117 0.027 0.000 0.992 92 I CA -2.520 58.790 61.300 0.016 0.000 1.149 92 I CB 1.471 39.364 38.000 -0.179 0.000 1.315 92 I HN -0.292 nan 8.210 nan 0.000 0.446 93 P HA -0.036 nan 4.420 nan 0.000 0.266 93 P C 0.723 178.092 177.300 0.115 0.000 1.193 93 P CA 0.259 63.415 63.100 0.094 0.000 0.770 93 P CB 0.924 32.715 31.700 0.151 0.000 0.836 94 E N 3.499 123.746 120.200 0.078 0.000 2.077 94 E HA -0.223 4.128 4.350 0.001 0.000 0.193 94 E C 1.141 177.805 176.600 0.106 0.000 0.989 94 E CA 1.811 58.254 56.400 0.071 0.000 0.800 94 E CB -0.731 28.992 29.700 0.040 0.000 0.746 94 E HN 0.431 nan 8.360 nan 0.000 0.452 95 N N -0.249 118.523 118.700 0.120 0.000 2.515 95 N HA -0.102 4.638 4.740 0.001 0.000 0.191 95 N C 1.240 176.824 175.510 0.124 0.000 1.182 95 N CA 0.534 53.660 53.050 0.125 0.000 0.879 95 N CB -1.101 37.459 38.487 0.122 0.000 0.984 95 N HN 0.376 nan 8.380 nan 0.000 0.453 96 W N 1.426 122.718 121.300 -0.014 0.000 2.338 96 W HA 0.077 4.738 4.660 0.001 0.000 0.304 96 W C 0.724 177.226 176.519 -0.029 0.000 1.212 96 W CA 2.192 59.536 57.345 -0.002 0.000 1.264 96 W CB -0.092 29.380 29.460 0.018 0.000 1.142 96 W HN 0.272 nan 8.180 nan 0.000 0.512 97 G N -3.092 105.589 108.800 -0.198 0.000 2.352 97 G HA2 0.387 4.347 3.960 0.001 0.000 0.283 97 G HA3 0.387 4.347 3.960 0.001 0.000 0.283 97 G C 0.236 174.994 174.900 -0.237 0.000 1.308 97 G CA -0.028 44.755 45.100 -0.527 0.000 0.892 97 G HN 1.030 nan 8.290 nan 0.000 0.504 98 G N -1.742 106.993 108.800 -0.109 0.000 2.135 98 G HA2 -0.058 3.903 3.960 0.001 0.000 0.183 98 G HA3 -0.058 3.903 3.960 0.001 0.000 0.183 98 G C 0.244 175.043 174.900 -0.169 0.000 1.004 98 G CA 0.398 45.437 45.100 -0.101 0.000 0.677 98 G HN 1.375 nan 8.290 nan 0.000 0.512 99 Y N -0.828 119.488 120.300 0.027 0.000 2.610 99 Y HA 0.301 4.852 4.550 0.001 0.000 0.332 99 Y C 1.579 177.472 175.900 -0.012 0.000 1.201 99 Y CA 0.633 58.737 58.100 0.006 0.000 1.465 99 Y CB 1.495 39.972 38.460 0.029 0.000 1.283 99 Y HN 0.006 nan 8.280 nan 0.000 0.563 100 V N 2.596 122.545 119.914 0.057 0.000 3.354 100 V HA -0.149 3.971 4.120 0.001 0.000 0.258 100 V C 1.870 178.002 176.094 0.063 0.000 1.159 100 V CA 1.578 63.828 62.300 -0.083 0.000 1.125 100 V CB -0.458 31.006 31.823 -0.597 0.000 0.774 100 V HN 1.113 nan 8.190 nan 0.000 0.464 101 T N -0.588 114.003 114.554 0.062 0.000 2.665 101 T HA -0.132 4.218 4.350 0.001 0.000 0.268 101 T C -0.045 174.660 174.700 0.009 0.000 1.035 101 T CA 1.821 63.939 62.100 0.030 0.000 1.151 101 T CB -1.925 66.944 68.868 0.003 0.000 0.862 101 T HN 0.449 nan 8.240 nan 0.000 0.438 102 P HA -0.009 nan 4.420 nan 0.000 0.219 102 P C 0.756 177.896 177.300 -0.268 0.000 1.146 102 P CA 0.965 63.950 63.100 -0.193 0.000 0.808 102 P CB -0.331 31.177 31.700 -0.320 0.000 0.779 103 W N -0.336 120.949 121.300 -0.027 0.000 2.443 103 W HA -0.043 4.617 4.660 0.001 0.000 0.296 103 W C 2.364 178.902 176.519 0.032 0.000 1.202 103 W CA 0.747 58.093 57.345 0.001 0.000 1.312 103 W CB -1.189 28.263 29.460 -0.013 0.000 1.120 103 W HN -0.208 nan 8.180 nan 0.000 0.536 104 V N -0.257 119.793 119.914 0.227 0.000 2.453 104 V HA -0.203 3.918 4.120 0.001 0.000 0.247 104 V C 2.026 178.170 176.094 0.083 0.000 1.048 104 V CA 2.461 64.860 62.300 0.165 0.000 1.049 104 V CB -1.412 30.490 31.823 0.132 0.000 0.672 104 V HN 0.256 nan 8.190 nan 0.000 0.457 105 T N -2.337 112.238 114.554 0.035 0.000 3.072 105 T HA -0.085 4.265 4.350 0.001 0.000 0.266 105 T C 1.659 176.357 174.700 -0.004 0.000 1.127 105 T CA 1.486 63.587 62.100 0.002 0.000 1.107 105 T CB -0.240 68.613 68.868 -0.024 0.000 0.910 105 T HN 0.603 nan 8.240 nan 0.000 0.513 106 E N 1.216 121.418 120.200 0.004 0.000 2.086 106 E HA 0.165 4.515 4.350 0.001 0.000 0.190 106 E C 1.920 178.554 176.600 0.056 0.000 0.975 106 E CA 0.554 56.957 56.400 0.005 0.000 0.813 106 E CB -0.511 29.170 29.700 -0.032 0.000 0.768 106 E HN 0.610 nan 8.360 nan 0.000 0.457 107 I N 0.224 120.855 120.570 0.102 0.000 2.208 107 I HA -0.278 3.893 4.170 0.001 0.000 0.245 107 I C 2.443 178.593 176.117 0.054 0.000 1.097 107 I CA 1.334 62.691 61.300 0.095 0.000 1.363 107 I CB -0.383 37.691 38.000 0.122 0.000 1.051 107 I HN 0.136 nan 8.210 nan 0.000 0.413 108 S N 0.582 116.308 115.700 0.043 0.000 2.383 108 S HA -0.202 4.268 4.470 0.001 0.000 0.229 108 S C 1.638 176.246 174.600 0.013 0.000 1.030 108 S CA 2.071 60.284 58.200 0.020 0.000 1.002 108 S CB -0.390 62.817 63.200 0.011 0.000 0.829 108 S HN 0.534 nan 8.310 nan 0.000 0.467 109 N N -0.664 118.044 118.700 0.014 0.000 2.407 109 N HA 0.189 4.930 4.740 0.001 0.000 0.182 109 N C 0.573 176.091 175.510 0.014 0.000 1.079 109 N CA 0.323 53.378 53.050 0.008 0.000 0.882 109 N CB 0.257 38.744 38.487 -0.000 0.000 1.106 109 N HN 0.297 nan 8.380 nan 0.000 0.461 110 N N -0.011 118.703 118.700 0.024 0.000 2.129 110 N HA 0.187 4.928 4.740 0.001 0.000 0.222 110 N C -0.408 175.126 175.510 0.041 0.000 1.303 110 N CA 0.146 53.213 53.050 0.029 0.000 0.897 110 N CB 1.351 39.854 38.487 0.027 0.000 1.093 110 N HN 0.047 nan 8.380 nan 0.000 0.501 111 L N 1.360 122.612 121.223 0.047 0.000 2.959 111 L HA 0.369 4.710 4.340 0.001 0.000 0.236 111 L C 0.953 177.841 176.870 0.030 0.000 1.296 111 L CA -0.186 54.684 54.840 0.049 0.000 1.047 111 L CB 0.502 42.602 42.059 0.067 0.000 1.395 111 L HN -0.293 nan 8.230 nan 0.000 0.492 112 R N 0.030 120.543 120.500 0.023 0.000 2.369 112 R HA -0.115 4.225 4.340 0.001 0.000 0.200 112 R C 1.567 177.871 176.300 0.008 0.000 1.046 112 R CA 0.620 56.728 56.100 0.014 0.000 1.057 112 R CB -0.185 30.122 30.300 0.011 0.000 0.888 112 R HN 0.385 nan 8.270 nan 0.000 0.474 113 Q N -1.018 118.786 119.800 0.007 0.000 2.189 113 Q HA 0.202 4.542 4.340 0.001 0.000 0.223 113 Q C -0.709 175.285 176.000 -0.010 0.000 0.828 113 Q CA -0.184 55.618 55.803 -0.001 0.000 0.967 113 Q CB 0.561 29.300 28.738 0.001 0.000 1.139 113 Q HN 0.102 nan 8.270 nan 0.000 0.497 114 L N 1.992 123.209 121.223 -0.010 0.000 2.462 114 L HA 0.057 4.398 4.340 0.001 0.000 0.272 114 L C 0.746 177.596 176.870 -0.032 0.000 1.166 114 L CA 1.013 55.837 54.840 -0.026 0.000 0.880 114 L CB 0.651 42.699 42.059 -0.019 0.000 1.142 114 L HN 0.216 nan 8.230 nan 0.000 0.473 115 K N 1.246 121.621 120.400 -0.043 0.000 2.412 115 K HA 0.249 4.570 4.320 0.001 0.000 0.202 115 K C 0.177 176.742 176.600 -0.059 0.000 1.102 115 K CA -0.112 56.150 56.287 -0.042 0.000 1.027 115 K CB 0.570 33.051 32.500 -0.032 0.000 0.931 115 K HN 0.420 nan 8.250 nan 0.000 0.557 116 S N 0.776 116.429 115.700 -0.078 0.000 2.575 116 S HA 0.518 4.988 4.470 0.001 0.000 0.278 116 S C -1.396 173.111 174.600 -0.154 0.000 1.139 116 S CA -0.537 57.603 58.200 -0.100 0.000 0.954 116 S CB 1.873 65.034 63.200 -0.065 0.000 1.054 116 S HN 0.043 nan 8.310 nan 0.000 0.483 117 V N 5.055 124.836 119.914 -0.221 0.000 2.638 117 V HA 0.527 4.647 4.120 0.001 0.000 0.306 117 V C -0.763 175.066 176.094 -0.442 0.000 1.052 117 V CA -0.680 61.393 62.300 -0.378 0.000 0.885 117 V CB 1.743 33.255 31.823 -0.518 0.000 0.999 117 V HN 1.012 nan 8.190 nan 0.000 0.424 118 H N 4.531 123.275 119.070 -0.543 0.000 2.906 118 H HA 0.601 5.158 4.556 0.001 0.000 0.324 118 H C -1.721 173.413 175.328 -0.324 0.000 0.973 118 H CA -0.700 55.121 56.048 -0.378 0.000 1.321 118 H CB 0.900 30.555 29.762 -0.179 0.000 1.535 118 H HN 0.487 nan 8.280 nan 0.000 0.518 119 F N 3.574 123.637 119.950 0.188 0.000 2.420 119 F HA 0.422 4.950 4.527 0.001 0.000 0.342 119 F C 0.287 176.163 175.800 0.126 0.000 1.113 119 F CA -0.838 57.194 58.000 0.053 0.000 1.059 119 F CB 1.483 40.477 39.000 -0.011 0.000 1.128 119 F HN 0.449 nan 8.300 nan 0.000 0.475 120 R N 2.830 123.442 120.500 0.186 0.000 2.451 120 R HA 0.495 4.836 4.340 0.001 0.000 0.307 120 R C -0.347 175.971 176.300 0.030 0.000 0.965 120 R CA -0.667 55.488 56.100 0.092 0.000 0.865 120 R CB 0.673 30.942 30.300 -0.052 0.000 1.174 120 R HN 0.738 nan 8.270 nan 0.000 0.455 121 R N 3.428 123.952 120.500 0.041 0.000 3.188 121 R HA -0.209 4.131 4.340 0.001 0.000 0.247 121 R C -0.547 175.765 176.300 0.021 0.000 0.918 121 R CA 0.941 57.049 56.100 0.012 0.000 0.629 121 R CB -1.273 29.004 30.300 -0.039 0.000 1.087 121 R HN 0.583 nan 8.270 nan 0.000 0.462 122 M N 0.513 120.133 119.600 0.033 0.000 2.775 122 M HA 0.533 5.013 4.480 0.001 0.000 0.296 122 M C 0.089 176.388 176.300 -0.001 0.000 1.248 122 M CA -1.146 54.144 55.300 -0.017 0.000 0.800 122 M CB 1.701 34.236 32.600 -0.109 0.000 1.765 122 M HN -0.014 nan 8.290 nan 0.000 0.472 123 I N 2.624 123.166 120.570 -0.047 0.000 2.337 123 I HA 0.314 4.484 4.170 0.001 0.000 0.285 123 I C -0.720 175.438 176.117 0.068 0.000 1.041 123 I CA -0.503 60.816 61.300 0.031 0.000 1.199 123 I CB 0.449 38.446 38.000 -0.005 0.000 1.370 123 I HN 0.229 nan 8.210 nan 0.000 0.470 124 V N 5.704 125.692 119.914 0.122 0.000 2.370 124 V HA 0.316 4.437 4.120 0.001 0.000 0.283 124 V C 0.684 176.905 176.094 0.212 0.000 1.023 124 V CA -0.383 61.970 62.300 0.088 0.000 0.857 124 V CB 1.607 33.440 31.823 0.016 0.000 0.985 124 V HN 0.884 nan 8.190 nan 0.000 0.443 125 S N 2.252 118.037 115.700 0.141 0.000 2.687 125 S HA 0.328 4.799 4.470 0.001 0.000 0.283 125 S C 0.684 175.361 174.600 0.128 0.000 1.170 125 S CA -0.561 57.729 58.200 0.150 0.000 1.008 125 S CB 1.565 64.824 63.200 0.099 0.000 1.026 125 S HN 0.608 nan 8.310 nan 0.000 0.541 126 D N 0.228 120.706 120.400 0.130 0.000 2.123 126 D HA -0.089 4.552 4.640 0.001 0.000 0.196 126 D C 1.738 178.071 176.300 0.056 0.000 0.992 126 D CA 1.118 55.178 54.000 0.100 0.000 0.833 126 D CB -0.401 40.454 40.800 0.091 0.000 0.954 126 D HN 0.493 nan 8.370 nan 0.000 0.455 127 L N 1.255 122.505 121.223 0.045 0.000 2.017 127 L HA -0.192 4.149 4.340 0.001 0.000 0.208 127 L C 1.409 178.289 176.870 0.017 0.000 1.073 127 L CA 2.085 56.940 54.840 0.025 0.000 0.745 127 L CB -0.664 41.404 42.059 0.015 0.000 0.894 127 L HN -0.005 nan 8.230 nan 0.000 0.432 128 D N -0.656 119.758 120.400 0.023 0.000 2.269 128 D HA -0.196 4.444 4.640 0.001 0.000 0.208 128 D C 2.033 178.346 176.300 0.023 0.000 0.963 128 D CA 1.481 55.493 54.000 0.019 0.000 0.864 128 D CB -0.683 40.127 40.800 0.017 0.000 0.936 128 D HN 0.582 nan 8.370 nan 0.000 0.505 129 L N -1.665 119.566 121.223 0.014 0.000 2.416 129 L HA 0.250 4.591 4.340 0.001 0.000 0.216 129 L C 1.633 178.498 176.870 -0.009 0.000 1.098 129 L CA 1.087 55.928 54.840 0.002 0.000 0.840 129 L CB -0.384 41.646 42.059 -0.047 0.000 0.981 129 L HN -0.191 nan 8.230 nan 0.000 0.462 130 D N 0.809 121.207 120.400 -0.004 0.000 2.117 130 D HA -0.198 4.442 4.640 0.001 0.000 0.197 130 D C 2.325 178.588 176.300 -0.062 0.000 0.987 130 D CA 1.354 55.341 54.000 -0.022 0.000 0.829 130 D CB 0.117 40.916 40.800 -0.001 0.000 0.961 130 D HN 0.205 nan 8.370 nan 0.000 0.460 131 R N 0.022 120.501 120.500 -0.034 0.000 2.083 131 R HA -0.129 4.211 4.340 0.001 0.000 0.237 131 R C 2.493 178.774 176.300 -0.032 0.000 1.137 131 R CA 0.890 56.969 56.100 -0.035 0.000 0.951 131 R CB -0.745 29.549 30.300 -0.009 0.000 0.851 131 R HN 0.348 nan 8.270 nan 0.000 0.434 132 L N 0.366 121.588 121.223 -0.003 0.000 1.955 132 L HA -0.238 4.102 4.340 0.001 0.000 0.213 132 L C 2.541 179.395 176.870 -0.027 0.000 1.072 132 L CA 1.697 56.544 54.840 0.012 0.000 0.755 132 L CB -0.687 41.401 42.059 0.048 0.000 0.888 132 L HN 0.240 nan 8.230 nan 0.000 0.432 133 A N 0.164 122.959 122.820 -0.041 0.000 1.881 133 A HA -0.343 3.978 4.320 0.001 0.000 0.219 133 A C 2.214 179.713 177.584 -0.140 0.000 1.215 133 A CA 2.654 54.657 52.037 -0.056 0.000 0.648 133 A CB -0.737 18.251 19.000 -0.021 0.000 0.832 133 A HN 0.494 nan 8.150 nan 0.000 0.455 134 K N -0.756 119.478 120.400 -0.278 0.000 2.057 134 K HA -0.056 4.264 4.320 0.001 0.000 0.207 134 K C 2.263 178.787 176.600 -0.128 0.000 1.049 134 K CA 1.195 57.296 56.287 -0.311 0.000 0.931 134 K CB -0.331 31.976 32.500 -0.321 0.000 0.714 134 K HN 0.490 nan 8.250 nan 0.000 0.440 135 A N 0.807 123.578 122.820 -0.081 0.000 2.014 135 A HA -0.078 4.242 4.320 0.001 0.000 0.218 135 A C 2.030 179.601 177.584 -0.022 0.000 1.163 135 A CA 1.316 53.330 52.037 -0.039 0.000 0.652 135 A CB -0.072 18.916 19.000 -0.020 0.000 0.808 135 A HN 0.080 nan 8.150 nan 0.000 0.449 136 R N -2.356 118.131 120.500 -0.022 0.000 2.257 136 R HA 0.480 4.821 4.340 0.001 0.000 0.195 136 R C 1.192 177.490 176.300 -0.005 0.000 0.921 136 R CA 1.020 57.114 56.100 -0.011 0.000 1.069 136 R CB -0.300 29.994 30.300 -0.010 0.000 1.115 136 R HN 0.613 nan 8.270 nan 0.000 0.571 137 A N 0.872 123.692 122.820 -0.000 0.000 5.568 137 A HA -0.386 3.934 4.320 0.001 0.000 0.322 137 A C 1.058 178.656 177.584 0.024 0.000 1.802 137 A CA 1.739 53.794 52.037 0.029 0.000 0.727 137 A CB -1.686 17.336 19.000 0.036 0.000 1.362 137 A HN 0.406 nan 8.150 nan 0.000 0.396 138 D N -0.295 120.120 120.400 0.025 0.000 2.239 138 D HA -0.084 4.557 4.640 0.001 0.000 0.202 138 D C 1.233 177.536 176.300 0.006 0.000 0.993 138 D CA 1.635 55.645 54.000 0.016 0.000 0.874 138 D CB -0.434 40.375 40.800 0.015 0.000 0.922 138 D HN 0.510 nan 8.370 nan 0.000 0.464 139 D N -0.424 119.977 120.400 0.001 0.000 2.310 139 D HA -0.056 4.585 4.640 0.001 0.000 0.212 139 D C 0.528 176.819 176.300 -0.014 0.000 0.965 139 D CA 0.077 54.073 54.000 -0.006 0.000 0.879 139 D CB -0.055 40.741 40.800 -0.007 0.000 0.921 139 D HN 0.160 nan 8.370 nan 0.000 0.510 140 L N 1.407 122.622 121.223 -0.015 0.000 2.385 140 L HA 0.090 4.430 4.340 0.001 0.000 0.285 140 L C 1.097 177.951 176.870 -0.027 0.000 1.125 140 L CA 0.254 55.077 54.840 -0.028 0.000 0.890 140 L CB 0.349 42.390 42.059 -0.030 0.000 1.251 140 L HN -0.137 nan 8.230 nan 0.000 0.445 141 E N 1.276 121.457 120.200 -0.032 0.000 2.122 141 E HA -0.006 4.345 4.350 0.001 0.000 0.190 141 E C 0.217 176.793 176.600 -0.039 0.000 0.977 141 E CA 0.815 57.198 56.400 -0.029 0.000 0.820 141 E CB 0.351 30.035 29.700 -0.026 0.000 0.770 141 E HN 0.621 nan 8.360 nan 0.000 0.462 142 T N -0.035 114.484 114.554 -0.059 0.000 2.921 142 T HA 0.475 4.826 4.350 0.001 0.000 0.297 142 T C -1.719 172.908 174.700 -0.122 0.000 1.013 142 T CA -0.898 61.154 62.100 -0.079 0.000 0.990 142 T CB 1.371 70.194 68.868 -0.074 0.000 1.023 142 T HN -0.027 nan 8.240 nan 0.000 0.447 143 L N 3.915 125.056 121.223 -0.138 0.000 2.376 143 L HA 0.691 5.031 4.340 0.001 0.000 0.275 143 L C -1.039 175.701 176.870 -0.217 0.000 0.987 143 L CA -0.330 54.392 54.840 -0.197 0.000 0.828 143 L CB 1.538 43.497 42.059 -0.166 0.000 1.249 143 L HN 0.720 nan 8.230 nan 0.000 0.409 144 K N 6.650 126.872 120.400 -0.297 0.000 2.449 144 K HA 0.484 4.805 4.320 0.001 0.000 0.257 144 K C -1.121 175.342 176.600 -0.229 0.000 0.989 144 K CA -0.441 55.647 56.287 -0.332 0.000 0.916 144 K CB 1.412 33.514 32.500 -0.662 0.000 1.136 144 K HN 0.586 nan 8.250 nan 0.000 0.439 145 L N 3.237 124.386 121.223 -0.123 0.000 2.352 145 L HA 0.166 4.507 4.340 0.001 0.000 0.272 145 L C -0.156 176.760 176.870 0.076 0.000 1.109 145 L CA -0.530 54.313 54.840 0.005 0.000 0.952 145 L CB 0.062 42.071 42.059 -0.084 0.000 1.314 145 L HN 0.494 nan 8.230 nan 0.000 0.427 146 D N 4.517 124.980 120.400 0.107 0.000 2.380 146 D HA 0.127 4.767 4.640 0.001 0.000 0.230 146 D C 0.357 176.732 176.300 0.125 0.000 1.154 146 D CA -0.225 53.843 54.000 0.114 0.000 0.859 146 D CB 0.531 41.462 40.800 0.219 0.000 1.045 146 D HN 0.313 nan 8.370 nan 0.000 0.495 147 K N 1.471 121.934 120.400 0.105 0.000 3.071 147 K HA -0.172 4.148 4.320 0.001 0.000 0.265 147 K C -0.276 176.382 176.600 0.097 0.000 1.060 147 K CA 0.365 56.695 56.287 0.071 0.000 0.767 147 K CB -2.302 30.208 32.500 0.017 0.000 1.241 147 K HN 0.406 nan 8.250 nan 0.000 0.486 148 C N 0.315 119.723 119.300 0.179 0.000 2.325 148 C HA 0.697 5.158 4.460 0.001 0.000 0.370 148 C C 1.159 176.291 174.990 0.237 0.000 1.217 148 C CA -0.192 58.956 59.018 0.216 0.000 2.254 148 C CB 1.442 29.352 27.740 0.283 0.000 2.282 148 C HN 0.610 nan 8.230 nan 0.000 0.564 149 S N -0.982 114.837 115.700 0.198 0.000 2.697 149 S HA 0.798 5.268 4.470 0.001 0.000 0.289 149 S C 0.152 174.840 174.600 0.147 0.000 1.149 149 S CA 0.291 58.542 58.200 0.085 0.000 0.850 149 S CB 1.287 64.498 63.200 0.018 0.000 1.151 149 S HN 2.366 nan 8.310 nan 0.000 0.491 150 G N -0.152 108.663 108.800 0.024 0.000 2.176 150 G HA2 -0.133 3.827 3.960 0.001 0.000 0.232 150 G HA3 -0.133 3.827 3.960 0.001 0.000 0.232 150 G C -0.186 174.808 174.900 0.158 0.000 0.986 150 G CA 0.269 45.429 45.100 0.099 0.000 0.643 150 G HN 1.533 nan 8.290 nan 0.000 0.522 151 F N 0.359 120.352 119.950 0.073 0.000 2.697 151 F HA 0.947 5.475 4.527 0.001 0.000 0.386 151 F C 0.348 176.195 175.800 0.079 0.000 1.154 151 F CA -0.334 57.698 58.000 0.052 0.000 1.108 151 F CB 1.154 40.161 39.000 0.012 0.000 1.429 151 F HN 0.547 nan 8.300 nan 0.000 0.509 152 T N -4.066 110.638 114.554 0.250 0.000 2.787 152 T HA 0.280 4.631 4.350 0.001 0.000 0.297 152 T C 0.676 175.450 174.700 0.125 0.000 1.221 152 T CA -0.039 62.138 62.100 0.130 0.000 1.006 152 T CB 0.780 69.705 68.868 0.095 0.000 1.328 152 T HN 1.066 nan 8.240 nan 0.000 0.509 153 T N -1.235 113.368 114.554 0.081 0.000 2.869 153 T HA -0.127 4.224 4.350 0.001 0.000 0.270 153 T C 1.143 175.887 174.700 0.073 0.000 1.082 153 T CA 1.845 63.968 62.100 0.040 0.000 1.123 153 T CB -0.849 68.147 68.868 0.214 0.000 0.856 153 T HN 0.612 nan 8.240 nan 0.000 0.499 154 D N 1.804 122.259 120.400 0.092 0.000 2.097 154 D HA 0.018 4.659 4.640 0.001 0.000 0.195 154 D C 2.484 178.825 176.300 0.069 0.000 0.989 154 D CA 1.492 55.544 54.000 0.087 0.000 0.827 154 D CB -1.094 39.754 40.800 0.080 0.000 0.966 154 D HN 0.558 nan 8.370 nan 0.000 0.456 155 G N 1.079 109.919 108.800 0.068 0.000 2.491 155 G HA2 -0.242 3.718 3.960 0.001 0.000 0.218 155 G HA3 -0.242 3.718 3.960 0.001 0.000 0.218 155 G C 1.801 176.681 174.900 -0.035 0.000 1.180 155 G CA 0.680 45.797 45.100 0.029 0.000 0.774 155 G HN 0.253 nan 8.290 nan 0.000 0.562 156 L N -0.276 120.886 121.223 -0.101 0.000 1.990 156 L HA -0.110 4.231 4.340 0.001 0.000 0.213 156 L C 2.732 179.600 176.870 -0.004 0.000 1.072 156 L CA 0.964 55.685 54.840 -0.198 0.000 0.755 156 L CB -0.659 41.065 42.059 -0.558 0.000 0.889 156 L HN 0.248 nan 8.230 nan 0.000 0.432 157 L N -0.564 120.713 121.223 0.089 0.000 2.129 157 L HA -0.228 4.113 4.340 0.001 0.000 0.212 157 L C 2.640 179.570 176.870 0.100 0.000 1.087 157 L CA 1.973 56.906 54.840 0.154 0.000 0.757 157 L CB -0.673 41.478 42.059 0.153 0.000 0.896 157 L HN 0.184 nan 8.230 nan 0.000 0.434 158 S N -0.774 114.982 115.700 0.093 0.000 2.387 158 S HA -0.104 4.367 4.470 0.001 0.000 0.226 158 S C 2.020 176.733 174.600 0.188 0.000 1.026 158 S CA 1.110 59.403 58.200 0.155 0.000 0.972 158 S CB -0.474 62.811 63.200 0.141 0.000 0.814 158 S HN 0.634 nan 8.310 nan 0.000 0.477 159 I N 0.721 121.343 120.570 0.087 0.000 2.617 159 I HA 0.061 4.231 4.170 0.001 0.000 0.256 159 I C 1.854 178.012 176.117 0.068 0.000 1.167 159 I CA 1.015 62.356 61.300 0.068 0.000 1.469 159 I CB -0.276 37.719 38.000 -0.008 0.000 1.098 159 I HN 0.210 nan 8.210 nan 0.000 0.436 160 V N -0.710 119.247 119.914 0.071 0.000 3.041 160 V HA -0.027 4.094 4.120 0.001 0.000 0.260 160 V C 2.306 178.417 176.094 0.028 0.000 1.105 160 V CA 1.548 63.893 62.300 0.075 0.000 1.125 160 V CB -1.792 30.117 31.823 0.142 0.000 0.730 160 V HN 0.670 nan 8.190 nan 0.000 0.479 161 T N -3.032 111.512 114.554 -0.017 0.000 3.037 161 T HA 0.079 4.430 4.350 0.001 0.000 0.252 161 T C 1.595 176.168 174.700 -0.213 0.000 1.073 161 T CA 1.159 63.169 62.100 -0.150 0.000 1.091 161 T CB -0.452 68.274 68.868 -0.236 0.000 0.935 161 T HN 0.585 nan 8.240 nan 0.000 0.488 162 H N -0.411 118.649 119.070 -0.017 0.000 2.582 162 H HA 0.400 4.957 4.556 0.001 0.000 0.269 162 H C 0.269 175.588 175.328 -0.015 0.000 0.962 162 H CA 0.067 56.104 56.048 -0.018 0.000 1.230 162 H CB 0.398 30.153 29.762 -0.012 0.000 1.445 162 H HN 0.354 nan 8.280 nan 0.000 0.528 163 C N 2.253 121.611 119.300 0.097 0.000 2.248 163 C HA 0.291 4.751 4.460 0.001 0.000 0.320 163 C C 1.215 176.223 174.990 0.030 0.000 1.065 163 C CA -0.707 58.341 59.018 0.050 0.000 1.558 163 C CB -0.332 27.428 27.740 0.035 0.000 1.787 163 C HN 0.572 nan 8.230 nan 0.000 0.426 164 R N 0.813 121.326 120.500 0.022 0.000 2.276 164 R HA 0.044 4.384 4.340 0.001 0.000 0.196 164 R C 0.971 177.286 176.300 0.024 0.000 0.961 164 R CA 0.549 56.660 56.100 0.018 0.000 1.024 164 R CB 0.231 30.534 30.300 0.006 0.000 0.940 164 R HN 0.586 nan 8.270 nan 0.000 0.480 165 K N 0.922 121.333 120.400 0.018 0.000 2.455 165 K HA 0.285 4.605 4.320 0.001 0.000 0.206 165 K C 0.013 176.618 176.600 0.009 0.000 1.027 165 K CA -0.220 56.075 56.287 0.013 0.000 1.113 165 K CB 0.638 33.143 32.500 0.008 0.000 0.850 165 K HN 0.039 nan 8.250 nan 0.000 0.503 166 I N 2.154 122.732 120.570 0.012 0.000 2.821 166 I HA -0.184 3.986 4.170 0.001 0.000 0.294 166 I C 1.189 177.310 176.117 0.006 0.000 1.210 166 I CA 0.899 62.202 61.300 0.006 0.000 1.430 166 I CB 0.579 38.587 38.000 0.014 0.000 1.356 166 I HN 0.226 nan 8.210 nan 0.000 0.563 167 K N 3.068 123.465 120.400 -0.005 0.000 2.141 167 K HA 0.017 4.338 4.320 0.001 0.000 0.202 167 K C 0.715 177.311 176.600 -0.006 0.000 1.045 167 K CA 0.717 57.001 56.287 -0.005 0.000 0.971 167 K CB 0.232 32.725 32.500 -0.012 0.000 0.795 167 K HN 0.688 nan 8.250 nan 0.000 0.459 168 T N 0.404 114.946 114.554 -0.019 0.000 2.848 168 T HA 0.519 4.870 4.350 0.001 0.000 0.285 168 T C -1.621 173.058 174.700 -0.034 0.000 0.995 168 T CA -0.850 61.234 62.100 -0.026 0.000 0.970 168 T CB 1.157 70.000 68.868 -0.043 0.000 0.976 168 T HN -0.027 nan 8.240 nan 0.000 0.441 169 L N 5.328 126.544 121.223 -0.012 0.000 2.409 169 L HA 0.855 5.195 4.340 0.001 0.000 0.272 169 L C -1.880 174.994 176.870 0.006 0.000 0.980 169 L CA -0.721 54.112 54.840 -0.010 0.000 0.826 169 L CB 1.713 43.796 42.059 0.039 0.000 1.268 169 L HN 0.857 nan 8.230 nan 0.000 0.407 170 L N 5.435 126.635 121.223 -0.038 0.000 2.436 170 L HA 0.583 4.924 4.340 0.001 0.000 0.268 170 L C -0.650 176.224 176.870 0.007 0.000 0.974 170 L CA -0.276 54.557 54.840 -0.012 0.000 0.826 170 L CB 2.092 44.101 42.059 -0.084 0.000 1.291 170 L HN 0.878 nan 8.230 nan 0.000 0.406 171 M N 3.021 122.690 119.600 0.114 0.000 2.511 171 M HA 0.223 4.703 4.480 0.001 0.000 0.387 171 M C -0.070 176.369 176.300 0.232 0.000 1.112 171 M CA -0.197 55.205 55.300 0.170 0.000 0.921 171 M CB 0.852 33.576 32.600 0.206 0.000 1.501 171 M HN 0.542 nan 8.290 nan 0.000 0.538 172 E N 2.704 123.010 120.200 0.176 0.000 2.694 172 E HA -0.174 4.177 4.350 0.001 0.000 0.250 172 E C 0.319 176.995 176.600 0.126 0.000 0.963 172 E CA 0.901 57.402 56.400 0.169 0.000 0.949 172 E CB 0.282 30.065 29.700 0.139 0.000 0.911 172 E HN 0.419 nan 8.360 nan 0.000 0.500 173 E N 1.789 122.046 120.200 0.095 0.000 3.628 173 E HA -0.214 4.136 4.350 0.001 0.000 0.309 173 E C -0.921 175.709 176.600 0.049 0.000 0.839 173 E CA 0.636 57.049 56.400 0.021 0.000 1.123 173 E CB -0.931 28.759 29.700 -0.017 0.000 1.568 173 E HN 0.475 nan 8.360 nan 0.000 0.440 174 S N 0.172 115.966 115.700 0.156 0.000 2.580 174 S HA 0.343 4.814 4.470 0.001 0.000 0.274 174 S C -0.190 174.467 174.600 0.095 0.000 1.329 174 S CA 0.046 58.378 58.200 0.220 0.000 1.036 174 S CB 1.456 64.932 63.200 0.459 0.000 0.919 174 S HN 0.386 nan 8.310 nan 0.000 0.515 175 S N 2.806 118.471 115.700 -0.058 0.000 2.498 175 S HA 0.815 5.285 4.470 0.001 0.000 0.317 175 S C -0.625 173.692 174.600 -0.470 0.000 1.090 175 S CA -0.821 57.160 58.200 -0.365 0.000 1.089 175 S CB 0.192 63.225 63.200 -0.277 0.000 0.997 175 S HN 0.592 nan 8.310 nan 0.000 0.470 176 F N -0.619 118.990 119.950 -0.568 0.000 2.824 176 F HA 0.833 5.360 4.527 0.001 0.000 0.330 176 F C -0.460 175.088 175.800 -0.421 0.000 1.175 176 F CA -1.329 56.242 58.000 -0.714 0.000 0.974 176 F CB 0.897 39.207 39.000 -1.151 0.000 1.430 176 F HN 0.384 nan 8.300 nan 0.000 0.507 177 S N 0.343 116.001 115.700 -0.071 0.000 2.433 177 S HA 0.245 4.716 4.470 0.001 0.000 0.310 177 S C -0.807 173.846 174.600 0.089 0.000 1.097 177 S CA -0.573 57.591 58.200 -0.059 0.000 1.103 177 S CB 0.673 63.852 63.200 -0.035 0.000 0.992 177 S HN 0.573 nan 8.310 nan 0.000 0.469 178 E N 2.874 123.096 120.200 0.037 0.000 2.089 178 E HA 0.199 4.550 4.350 0.001 0.000 0.284 178 E C 0.122 176.790 176.600 0.113 0.000 1.023 178 E CA -0.141 56.348 56.400 0.148 0.000 0.819 178 E CB 0.491 30.267 29.700 0.127 0.000 1.076 178 E HN 0.523 nan 8.360 nan 0.000 0.396 179 K N 2.647 123.132 120.400 0.142 0.000 2.367 179 K HA 0.083 4.403 4.320 0.001 0.000 0.195 179 K C -0.432 176.237 176.600 0.114 0.000 1.060 179 K CA 0.416 56.765 56.287 0.103 0.000 1.022 179 K CB 0.446 33.000 32.500 0.090 0.000 0.894 179 K HN 0.558 nan 8.250 nan 0.000 0.540 180 D N -2.896 117.605 120.400 0.169 0.000 3.024 180 D HA 0.107 4.747 4.640 0.001 0.000 0.354 180 D C -0.053 176.376 176.300 0.216 0.000 1.431 180 D CA -0.707 53.384 54.000 0.151 0.000 0.842 180 D CB 0.129 40.995 40.800 0.110 0.000 1.437 180 D HN -0.132 nan 8.370 nan 0.000 0.507 181 G N -1.337 107.530 108.800 0.112 0.000 3.695 181 G HA2 0.108 4.069 3.960 0.001 0.000 0.277 181 G HA3 0.108 4.069 3.960 0.001 0.000 0.277 181 G C 0.515 175.337 174.900 -0.131 0.000 1.001 181 G CA -0.270 44.817 45.100 -0.020 0.000 0.837 181 G HN 0.436 nan 8.290 nan 0.000 0.492 182 K N 0.632 121.047 120.400 0.024 0.000 2.442 182 K HA -0.051 4.269 4.320 0.001 0.000 0.198 182 K C 2.054 178.693 176.600 0.064 0.000 1.042 182 K CA 0.538 56.837 56.287 0.019 0.000 0.958 182 K CB -0.201 32.313 32.500 0.024 0.000 0.766 182 K HN 0.598 nan 8.250 nan 0.000 0.474 183 W N 1.450 122.755 121.300 0.009 0.000 2.381 183 W HA -0.082 4.579 4.660 0.001 0.000 0.301 183 W C 1.356 177.855 176.519 -0.033 0.000 1.205 183 W CA 0.204 57.539 57.345 -0.017 0.000 1.285 183 W CB -0.847 28.586 29.460 -0.045 0.000 1.133 183 W HN -0.017 nan 8.180 nan 0.000 0.521 184 L N 0.540 121.078 121.223 -1.141 0.000 2.056 184 L HA -0.218 4.123 4.340 0.001 0.000 0.207 184 L C 2.918 179.555 176.870 -0.389 0.000 1.078 184 L CA 2.291 56.510 54.840 -1.035 0.000 0.749 184 L CB -0.830 40.474 42.059 -1.259 0.000 0.901 184 L HN 0.067 nan 8.230 nan 0.000 0.433 185 H N -0.478 118.394 119.070 -0.330 0.000 2.389 185 H HA -0.245 4.312 4.556 0.001 0.000 0.299 185 H C 2.117 177.400 175.328 -0.076 0.000 1.081 185 H CA 1.895 57.844 56.048 -0.165 0.000 1.345 185 H CB 0.338 30.028 29.762 -0.119 0.000 1.393 185 H HN 0.251 nan 8.280 nan 0.000 0.520 186 E N 0.225 120.494 120.200 0.115 0.000 2.150 186 E HA -0.117 4.234 4.350 0.001 0.000 0.193 186 E C 2.132 178.790 176.600 0.097 0.000 0.985 186 E CA 0.904 57.389 56.400 0.142 0.000 0.814 186 E CB -0.271 29.501 29.700 0.120 0.000 0.752 186 E HN 0.551 nan 8.360 nan 0.000 0.466 187 L N -0.155 121.083 121.223 0.025 0.000 1.976 187 L HA -0.191 4.150 4.340 0.001 0.000 0.209 187 L C 2.485 179.340 176.870 -0.026 0.000 1.071 187 L CA 1.183 56.034 54.840 0.018 0.000 0.746 187 L CB -0.750 41.308 42.059 -0.001 0.000 0.890 187 L HN 0.272 nan 8.230 nan 0.000 0.432 188 A N -0.361 122.391 122.820 -0.114 0.000 1.870 188 A HA -0.364 3.957 4.320 0.001 0.000 0.219 188 A C 2.129 179.618 177.584 -0.158 0.000 1.224 188 A CA 2.356 54.292 52.037 -0.168 0.000 0.650 188 A CB -0.938 17.877 19.000 -0.309 0.000 0.836 188 A HN 0.536 nan 8.150 nan 0.000 0.454 189 Q N -2.335 117.359 119.800 -0.178 0.000 2.234 189 Q HA -0.178 4.163 4.340 0.001 0.000 0.206 189 Q C 1.334 177.106 176.000 -0.379 0.000 0.980 189 Q CA 1.566 57.226 55.803 -0.239 0.000 0.869 189 Q CB -0.094 28.566 28.738 -0.131 0.000 0.912 189 Q HN 0.884 nan 8.270 nan 0.000 0.436 190 H N -2.592 116.456 119.070 -0.038 0.000 3.622 190 H HA 0.176 4.732 4.556 0.001 0.000 0.259 190 H C -0.224 175.093 175.328 -0.017 0.000 1.145 190 H CA -0.216 55.819 56.048 -0.021 0.000 1.178 190 H CB 0.620 30.375 29.762 -0.013 0.000 1.542 190 H HN 0.110 nan 8.280 nan 0.000 0.586 191 N N 0.377 119.122 118.700 0.076 0.000 2.498 191 N HA 0.108 4.849 4.740 0.001 0.000 0.287 191 N C 0.456 175.977 175.510 0.020 0.000 1.097 191 N CA 0.207 53.287 53.050 0.049 0.000 0.973 191 N CB 1.740 40.255 38.487 0.047 0.000 1.153 191 N HN -0.113 nan 8.380 nan 0.000 0.472 192 T N -0.601 113.964 114.554 0.019 0.000 3.048 192 T HA 0.012 4.363 4.350 0.001 0.000 0.254 192 T C 1.402 176.107 174.700 0.008 0.000 0.942 192 T CA 0.162 62.266 62.100 0.007 0.000 0.931 192 T CB -0.008 68.863 68.868 0.005 0.000 1.220 192 T HN 0.622 nan 8.240 nan 0.000 0.503 193 S N 1.258 116.965 115.700 0.012 0.000 2.496 193 S HA 0.208 4.678 4.470 0.001 0.000 0.224 193 S C 0.736 175.342 174.600 0.010 0.000 0.996 193 S CA -0.269 57.936 58.200 0.008 0.000 0.927 193 S CB -0.451 62.754 63.200 0.008 0.000 0.774 193 S HN 0.223 nan 8.310 nan 0.000 0.524 194 L N 2.688 123.921 121.223 0.017 0.000 2.678 194 L HA -0.016 4.324 4.340 0.001 0.000 0.285 194 L C 1.090 177.970 176.870 0.017 0.000 1.233 194 L CA 0.976 55.829 54.840 0.022 0.000 0.920 194 L CB -0.010 42.071 42.059 0.036 0.000 1.176 194 L HN 0.270 nan 8.230 nan 0.000 0.495 195 E N 2.333 122.540 120.200 0.011 0.000 2.378 195 E HA 0.177 4.527 4.350 0.001 0.000 0.200 195 E C -0.717 175.887 176.600 0.007 0.000 0.882 195 E CA 0.131 56.534 56.400 0.005 0.000 1.061 195 E CB 0.950 30.647 29.700 -0.004 0.000 1.049 195 E HN 0.402 nan 8.360 nan 0.000 0.494 196 V N 1.733 121.647 119.914 0.001 0.000 2.656 196 V HA 0.547 4.668 4.120 0.001 0.000 0.307 196 V C -1.950 174.145 176.094 0.002 0.000 1.051 196 V CA -0.845 61.451 62.300 -0.007 0.000 0.893 196 V CB 1.854 33.660 31.823 -0.027 0.000 0.999 196 V HN 0.070 nan 8.190 nan 0.000 0.426 197 L N 5.952 127.174 121.223 -0.002 0.000 2.409 197 L HA 0.752 5.092 4.340 0.001 0.000 0.272 197 L C -1.151 175.684 176.870 -0.059 0.000 0.980 197 L CA -0.071 54.787 54.840 0.029 0.000 0.826 197 L CB 1.859 43.964 42.059 0.076 0.000 1.268 197 L HN 0.857 nan 8.230 nan 0.000 0.407 198 N N 4.823 123.525 118.700 0.003 0.000 2.571 198 N HA 0.366 5.107 4.740 0.001 0.000 0.286 198 N C -1.736 173.842 175.510 0.114 0.000 1.138 198 N CA -0.436 52.566 53.050 -0.080 0.000 0.859 198 N CB 0.715 39.170 38.487 -0.054 0.000 1.414 198 N HN 0.456 nan 8.380 nan 0.000 0.529 199 F N 3.051 123.069 119.950 0.113 0.000 2.542 199 F HA 0.395 4.923 4.527 0.001 0.000 0.323 199 F C 0.520 176.469 175.800 0.249 0.000 1.411 199 F CA -0.961 57.171 58.000 0.219 0.000 1.124 199 F CB -0.107 39.096 39.000 0.337 0.000 1.331 199 F HN 0.228 nan 8.300 nan 0.000 0.560 200 Y N 2.007 122.328 120.300 0.036 0.000 2.109 200 Y HA 0.113 4.664 4.550 0.001 0.000 0.285 200 Y C 1.029 176.917 175.900 -0.019 0.000 1.131 200 Y CA 1.366 59.433 58.100 -0.055 0.000 1.121 200 Y CB 0.038 38.453 38.460 -0.075 0.000 0.987 200 Y HN 0.392 nan 8.280 nan 0.000 0.495 201 M N 1.683 121.236 119.600 -0.078 0.000 3.347 201 M HA 0.202 4.682 4.480 0.001 0.000 0.260 201 M C -0.808 175.462 176.300 -0.050 0.000 1.362 201 M CA 0.115 55.273 55.300 -0.236 0.000 1.497 201 M CB 0.189 32.613 32.600 -0.293 0.000 1.080 201 M HN 0.206 nan 8.290 nan 0.000 0.592 202 T N -2.344 112.245 114.554 0.057 0.000 2.971 202 T HA 0.456 4.806 4.350 0.001 0.000 0.304 202 T C -0.509 174.208 174.700 0.029 0.000 1.038 202 T CA -1.107 61.050 62.100 0.095 0.000 1.007 202 T CB 1.516 70.641 68.868 0.427 0.000 1.055 202 T HN 0.284 nan 8.240 nan 0.000 0.451 203 E N 2.939 123.012 120.200 -0.211 0.000 1.861 203 E HA 0.242 4.593 4.350 0.001 0.000 0.263 203 E C -1.140 175.302 176.600 -0.264 0.000 1.137 203 E CA -0.180 56.098 56.400 -0.204 0.000 0.944 203 E CB -0.131 29.407 29.700 -0.270 0.000 1.092 203 E HN 0.552 nan 8.360 nan 0.000 0.420 204 F N 0.712 120.673 119.950 0.019 0.000 2.427 204 F HA 0.380 4.907 4.527 0.001 0.000 0.346 204 F C 0.944 176.713 175.800 -0.052 0.000 1.120 204 F CA -0.616 57.405 58.000 0.035 0.000 1.033 204 F CB 1.839 40.851 39.000 0.021 0.000 1.126 204 F HN 0.403 nan 8.300 nan 0.000 0.462 205 A N 2.998 125.913 122.820 0.158 0.000 2.508 205 A HA 0.268 4.589 4.320 0.001 0.000 0.250 205 A C 0.975 178.610 177.584 0.085 0.000 1.208 205 A CA -0.126 51.954 52.037 0.072 0.000 0.960 205 A CB 0.049 19.069 19.000 0.033 0.000 1.099 205 A HN 0.711 nan 8.150 nan 0.000 0.542 206 K N 0.669 121.151 120.400 0.137 0.000 2.506 206 K HA 0.310 4.630 4.320 0.001 0.000 0.204 206 K C -0.298 176.342 176.600 0.066 0.000 1.045 206 K CA -0.038 56.313 56.287 0.107 0.000 1.074 206 K CB 0.484 33.061 32.500 0.128 0.000 0.842 206 K HN 0.676 nan 8.250 nan 0.000 0.514 207 I N -1.635 118.951 120.570 0.026 0.000 2.359 207 I HA 0.339 4.510 4.170 0.001 0.000 0.294 207 I C -0.010 176.177 176.117 0.117 0.000 0.987 207 I CA -0.709 60.557 61.300 -0.057 0.000 1.225 207 I CB 1.803 39.635 38.000 -0.281 0.000 1.366 207 I HN -0.208 nan 8.210 nan 0.000 0.466 208 S N 7.023 122.770 115.700 0.079 0.000 2.499 208 S HA 0.347 4.818 4.470 0.001 0.000 0.275 208 S C -1.034 173.625 174.600 0.098 0.000 1.257 208 S CA -1.399 56.871 58.200 0.116 0.000 1.050 208 S CB 0.797 64.028 63.200 0.051 0.000 0.937 208 S HN 0.645 nan 8.310 nan 0.000 0.490 209 P HA -0.126 nan 4.420 nan 0.000 0.218 209 P C 0.978 178.134 177.300 -0.239 0.000 1.149 209 P CA 0.986 63.828 63.100 -0.430 0.000 0.817 209 P CB 0.109 31.428 31.700 -0.635 0.000 0.785 210 K N -0.001 120.327 120.400 -0.121 0.000 2.160 210 K HA -0.167 4.154 4.320 0.001 0.000 0.206 210 K C 1.637 178.172 176.600 -0.108 0.000 1.047 210 K CA 1.260 57.493 56.287 -0.091 0.000 0.930 210 K CB -0.688 31.783 32.500 -0.048 0.000 0.720 210 K HN 0.225 nan 8.250 nan 0.000 0.450 211 D N 0.802 121.130 120.400 -0.119 0.000 2.123 211 D HA -0.106 4.535 4.640 0.001 0.000 0.200 211 D C 1.913 178.121 176.300 -0.153 0.000 0.976 211 D CA 0.460 54.360 54.000 -0.168 0.000 0.831 211 D CB -0.103 40.584 40.800 -0.188 0.000 0.974 211 D HN -0.007 nan 8.370 nan 0.000 0.469 212 L N 1.650 122.780 121.223 -0.155 0.000 2.046 212 L HA -0.141 4.200 4.340 0.001 0.000 0.208 212 L C 2.116 178.949 176.870 -0.062 0.000 1.077 212 L CA 1.744 56.482 54.840 -0.169 0.000 0.747 212 L CB -0.677 41.183 42.059 -0.331 0.000 0.896 212 L HN 0.023 nan 8.230 nan 0.000 0.432 213 E N -1.364 118.804 120.200 -0.054 0.000 2.031 213 E HA -0.286 4.065 4.350 0.001 0.000 0.193 213 E C 2.040 178.651 176.600 0.018 0.000 0.994 213 E CA 1.843 58.275 56.400 0.053 0.000 0.800 213 E CB -0.249 29.442 29.700 -0.014 0.000 0.752 213 E HN 0.534 nan 8.360 nan 0.000 0.447 214 T N -0.167 114.359 114.554 -0.047 0.000 2.929 214 T HA -0.099 4.252 4.350 0.001 0.000 0.271 214 T C 1.848 176.517 174.700 -0.052 0.000 1.085 214 T CA 1.057 63.117 62.100 -0.066 0.000 1.125 214 T CB -0.281 68.519 68.868 -0.114 0.000 0.874 214 T HN 0.210 nan 8.240 nan 0.000 0.494 215 I N 0.956 121.507 120.570 -0.031 0.000 2.233 215 I HA 0.001 4.171 4.170 0.001 0.000 0.243 215 I C 3.076 179.214 176.117 0.035 0.000 1.093 215 I CA 1.013 62.309 61.300 -0.006 0.000 1.380 215 I CB -0.639 37.365 38.000 0.006 0.000 1.067 215 I HN 0.321 nan 8.210 nan 0.000 0.413 216 A N 0.733 123.611 122.820 0.097 0.000 1.940 216 A HA -0.265 4.055 4.320 0.001 0.000 0.219 216 A C 2.358 179.934 177.584 -0.013 0.000 1.176 216 A CA 1.836 53.917 52.037 0.073 0.000 0.631 216 A CB -0.636 18.413 19.000 0.082 0.000 0.814 216 A HN 0.311 nan 8.150 nan 0.000 0.446 217 R N -0.691 119.798 120.500 -0.018 0.000 2.148 217 R HA -0.042 4.299 4.340 0.001 0.000 0.223 217 R C 1.410 177.689 176.300 -0.035 0.000 1.088 217 R CA 1.469 57.546 56.100 -0.038 0.000 0.985 217 R CB -0.065 30.210 30.300 -0.042 0.000 0.880 217 R HN 0.509 nan 8.270 nan 0.000 0.451 218 N N -1.240 117.443 118.700 -0.028 0.000 2.415 218 N HA 0.036 4.776 4.740 0.001 0.000 0.174 218 N C -0.540 174.959 175.510 -0.017 0.000 1.048 218 N CA 0.403 53.436 53.050 -0.029 0.000 0.895 218 N CB 0.563 39.028 38.487 -0.037 0.000 1.036 218 N HN 0.087 nan 8.380 nan 0.000 0.449 219 C N 2.018 121.313 119.300 -0.008 0.000 2.146 219 C HA 0.390 4.851 4.460 0.001 0.000 0.338 219 C C 1.601 176.587 174.990 -0.007 0.000 1.074 219 C CA -0.866 58.151 59.018 -0.001 0.000 1.527 219 C CB -0.186 27.562 27.740 0.014 0.000 1.915 219 C HN 0.175 nan 8.230 nan 0.000 0.453 220 R N 1.061 121.554 120.500 -0.013 0.000 2.241 220 R HA -0.046 4.295 4.340 0.001 0.000 0.224 220 R C 1.776 178.067 176.300 -0.015 0.000 1.101 220 R CA 0.898 56.987 56.100 -0.018 0.000 0.995 220 R CB -0.191 30.098 30.300 -0.019 0.000 0.870 220 R HN 0.610 nan 8.270 nan 0.000 0.463 221 S N -0.062 115.633 115.700 -0.008 0.000 2.597 221 S HA 0.162 4.633 4.470 0.001 0.000 0.224 221 S C -0.112 174.487 174.600 -0.001 0.000 0.955 221 S CA -0.510 57.686 58.200 -0.007 0.000 0.933 221 S CB 0.051 63.247 63.200 -0.006 0.000 0.788 221 S HN 0.066 nan 8.310 nan 0.000 0.488 222 L N 2.433 123.658 121.223 0.004 0.000 2.530 222 L HA 0.152 4.493 4.340 0.001 0.000 0.273 222 L C 0.726 177.607 176.870 0.017 0.000 1.141 222 L CA 0.657 55.509 54.840 0.020 0.000 0.905 222 L CB 0.461 42.543 42.059 0.039 0.000 1.202 222 L HN 0.010 nan 8.230 nan 0.000 0.473 223 V N 2.554 122.479 119.914 0.019 0.000 3.307 223 V HA 0.267 4.387 4.120 0.001 0.000 0.244 223 V C 0.604 176.714 176.094 0.027 0.000 1.196 223 V CA 0.778 63.086 62.300 0.014 0.000 1.132 223 V CB 0.696 32.520 31.823 0.001 0.000 0.875 223 V HN 0.786 nan 8.190 nan 0.000 0.468 224 S N -0.065 115.650 115.700 0.024 0.000 2.549 224 S HA 0.728 5.199 4.470 0.001 0.000 0.280 224 S C -1.554 173.046 174.600 0.000 0.000 1.109 224 S CA -0.200 58.008 58.200 0.012 0.000 0.905 224 S CB 1.987 65.169 63.200 -0.029 0.000 1.081 224 S HN 0.583 nan 8.310 nan 0.000 0.477 225 V N 4.060 123.952 119.914 -0.037 0.000 2.789 225 V HA 0.682 4.803 4.120 0.001 0.000 0.300 225 V C -1.866 173.976 176.094 -0.420 0.000 1.184 225 V CA -0.552 61.655 62.300 -0.154 0.000 0.930 225 V CB 1.575 33.386 31.823 -0.020 0.000 1.041 225 V HN 0.997 nan 8.190 nan 0.000 0.430 226 K N 4.454 124.535 120.400 -0.531 0.000 2.267 226 K HA 0.932 5.253 4.320 0.001 0.000 0.246 226 K C -1.399 174.750 176.600 -0.751 0.000 0.954 226 K CA -0.881 54.987 56.287 -0.698 0.000 0.824 226 K CB 2.761 34.899 32.500 -0.603 0.000 1.167 226 K HN 0.571 nan 8.250 nan 0.000 0.431 227 V N 0.265 119.846 119.914 -0.556 0.000 3.206 227 V HA 0.407 4.527 4.120 0.001 0.000 0.305 227 V C 0.390 176.510 176.094 0.043 0.000 1.257 227 V CA -0.606 61.433 62.300 -0.434 0.000 1.057 227 V CB 2.247 33.910 31.823 -0.268 0.000 1.075 227 V HN 1.013 nan 8.190 nan 0.000 0.443 228 G N -0.205 108.735 108.800 0.233 0.000 2.803 228 G HA2 0.113 4.073 3.960 0.001 0.000 0.177 228 G HA3 0.113 4.073 3.960 0.001 0.000 0.177 228 G C -0.066 174.933 174.900 0.166 0.000 1.629 228 G CA 0.147 45.383 45.100 0.227 0.000 1.077 228 G HN 0.665 nan 8.290 nan 0.000 0.556 229 D N 0.181 120.653 120.400 0.120 0.000 2.706 229 D HA 0.234 4.875 4.640 0.001 0.000 0.236 229 D C 0.018 176.435 176.300 0.196 0.000 1.231 229 D CA -0.226 53.883 54.000 0.183 0.000 0.828 229 D CB -0.393 40.500 40.800 0.154 0.000 1.015 229 D HN 0.110 nan 8.370 nan 0.000 0.484 230 F N 1.183 121.255 119.950 0.202 0.000 2.595 230 F HA -0.071 4.456 4.527 0.001 0.000 0.359 230 F C 1.602 177.511 175.800 0.181 0.000 1.147 230 F CA 0.072 58.173 58.000 0.169 0.000 1.341 230 F CB 0.770 39.859 39.000 0.149 0.000 1.104 230 F HN -0.188 nan 8.300 nan 0.000 0.603 231 E N 3.437 123.888 120.200 0.420 0.000 2.257 231 E HA 0.047 4.397 4.350 0.001 0.000 0.278 231 E C 0.922 177.689 176.600 0.278 0.000 1.049 231 E CA -0.066 56.514 56.400 0.301 0.000 0.876 231 E CB 0.929 30.769 29.700 0.234 0.000 1.035 231 E HN 0.537 nan 8.360 nan 0.000 0.419 232 I N 4.570 125.317 120.570 0.295 0.000 2.236 232 I HA -0.350 3.820 4.170 0.001 0.000 0.249 232 I C 2.179 178.455 176.117 0.265 0.000 1.102 232 I CA 1.135 62.604 61.300 0.282 0.000 1.365 232 I CB -0.117 37.994 38.000 0.185 0.000 1.051 232 I HN 0.622 nan 8.210 nan 0.000 0.420 233 L N -0.230 121.170 121.223 0.296 0.000 2.127 233 L HA -0.253 4.087 4.340 0.001 0.000 0.211 233 L C 2.154 179.086 176.870 0.103 0.000 1.089 233 L CA 1.479 56.434 54.840 0.192 0.000 0.757 233 L CB -0.554 41.585 42.059 0.134 0.000 0.899 233 L HN 0.355 nan 8.230 nan 0.000 0.434 234 E N -0.378 119.870 120.200 0.080 0.000 2.478 234 E HA -0.107 4.243 4.350 0.001 0.000 0.198 234 E C 1.780 178.337 176.600 -0.072 0.000 1.046 234 E CA 0.376 56.773 56.400 -0.004 0.000 0.870 234 E CB 0.171 29.859 29.700 -0.019 0.000 0.818 234 E HN 0.521 nan 8.360 nan 0.000 0.527 235 L N 0.088 121.304 121.223 -0.011 0.000 2.640 235 L HA 0.023 4.364 4.340 0.001 0.000 0.230 235 L C 1.781 178.714 176.870 0.106 0.000 1.123 235 L CA -0.134 54.673 54.840 -0.055 0.000 0.900 235 L CB 0.470 42.458 42.059 -0.117 0.000 1.146 235 L HN 0.020 nan 8.230 nan 0.000 0.484 236 V N 0.074 120.079 119.914 0.152 0.000 2.392 236 V HA -0.219 3.902 4.120 0.001 0.000 0.249 236 V C 2.615 178.755 176.094 0.077 0.000 1.059 236 V CA 2.067 64.462 62.300 0.159 0.000 1.051 236 V CB -1.361 30.492 31.823 0.050 0.000 0.658 236 V HN 0.574 nan 8.190 nan 0.000 0.455 237 G N -0.360 108.457 108.800 0.028 0.000 2.446 237 G HA2 -0.321 3.639 3.960 0.001 0.000 0.217 237 G HA3 -0.321 3.639 3.960 0.001 0.000 0.217 237 G C 1.468 176.363 174.900 -0.008 0.000 1.168 237 G CA 1.109 46.208 45.100 -0.002 0.000 0.771 237 G HN 0.478 nan 8.290 nan 0.000 0.551 238 F N 1.273 121.118 119.950 -0.175 0.000 2.011 238 F HA -0.083 4.445 4.527 0.001 0.000 0.296 238 F C 2.441 178.119 175.800 -0.204 0.000 1.144 238 F CA 1.677 59.526 58.000 -0.252 0.000 1.185 238 F CB -0.810 37.933 39.000 -0.429 0.000 0.961 238 F HN 0.139 nan 8.300 nan 0.000 0.485 239 F N 0.836 120.558 119.950 -0.380 0.000 2.115 239 F HA -0.264 4.264 4.527 0.001 0.000 0.300 239 F C 2.483 178.055 175.800 -0.381 0.000 1.092 239 F CA 1.909 59.608 58.000 -0.502 0.000 1.245 239 F CB -0.626 38.167 39.000 -0.345 0.000 0.995 239 F HN -0.023 nan 8.300 nan 0.000 0.481 240 K N -0.142 120.213 120.400 -0.075 0.000 2.097 240 K HA -0.127 4.193 4.320 0.001 0.000 0.206 240 K C 2.194 178.719 176.600 -0.124 0.000 1.049 240 K CA 1.260 57.495 56.287 -0.086 0.000 0.933 240 K CB -0.385 32.080 32.500 -0.059 0.000 0.717 240 K HN 0.267 nan 8.250 nan 0.000 0.442 241 A N 0.889 123.610 122.820 -0.165 0.000 2.081 241 A HA 0.150 4.471 4.320 0.001 0.000 0.214 241 A C 1.523 178.989 177.584 -0.198 0.000 1.158 241 A CA 0.650 52.597 52.037 -0.149 0.000 0.724 241 A CB 0.057 18.991 19.000 -0.110 0.000 0.826 241 A HN 0.226 nan 8.150 nan 0.000 0.463 242 A N 0.280 122.892 122.820 -0.347 0.000 3.074 242 A HA 0.565 4.886 4.320 0.001 0.000 0.251 242 A C 1.616 179.080 177.584 -0.199 0.000 1.695 242 A CA 0.641 52.461 52.037 -0.362 0.000 1.343 242 A CB -1.102 17.431 19.000 -0.777 0.000 1.078 242 A HN 0.794 nan 8.150 nan 0.000 0.644 243 A N 1.448 124.189 122.820 -0.131 0.000 1.849 243 A HA -0.219 4.102 4.320 0.001 0.000 0.217 243 A C 1.705 179.245 177.584 -0.073 0.000 1.202 243 A CA 1.959 53.941 52.037 -0.092 0.000 0.629 243 A CB -0.491 18.466 19.000 -0.071 0.000 0.834 243 A HN 0.574 nan 8.150 nan 0.000 0.447 244 N N -0.301 118.365 118.700 -0.058 0.000 2.515 244 N HA 0.073 4.813 4.740 0.001 0.000 0.191 244 N C -0.040 175.453 175.510 -0.028 0.000 1.182 244 N CA -0.076 52.950 53.050 -0.039 0.000 0.879 244 N CB -0.565 37.904 38.487 -0.029 0.000 0.984 244 N HN 0.391 nan 8.380 nan 0.000 0.453 245 L N 1.390 122.594 121.223 -0.033 0.000 2.584 245 L HA -0.030 4.310 4.340 0.001 0.000 0.272 245 L C 1.035 177.915 176.870 0.017 0.000 1.195 245 L CA 0.810 55.653 54.840 0.006 0.000 0.920 245 L CB 0.368 42.434 42.059 0.012 0.000 1.173 245 L HN 0.170 nan 8.230 nan 0.000 0.489 246 E N 2.769 122.986 120.200 0.029 0.000 2.413 246 E HA 0.109 4.460 4.350 0.001 0.000 0.203 246 E C -0.195 176.433 176.600 0.047 0.000 0.957 246 E CA 0.075 56.487 56.400 0.021 0.000 0.950 246 E CB 0.743 30.447 29.700 0.006 0.000 0.957 246 E HN 0.680 nan 8.360 nan 0.000 0.497 247 E N 0.518 120.764 120.200 0.077 0.000 2.275 247 E HA 0.387 4.738 4.350 0.001 0.000 0.270 247 E C -1.858 174.848 176.600 0.175 0.000 0.882 247 E CA -0.612 55.836 56.400 0.081 0.000 0.758 247 E CB 1.514 31.218 29.700 0.006 0.000 1.195 247 E HN -0.039 nan 8.360 nan 0.000 0.419 248 F N 5.045 125.016 119.950 0.036 0.000 2.617 248 F HA 0.507 5.034 4.527 0.001 0.000 0.325 248 F C -1.567 174.226 175.800 -0.012 0.000 1.179 248 F CA -0.516 57.526 58.000 0.070 0.000 0.965 248 F CB 0.851 40.020 39.000 0.282 0.000 1.232 248 F HN 0.564 nan 8.300 nan 0.000 0.461 249 C N 3.977 122.944 119.300 -0.554 0.000 2.529 249 C HA 1.019 5.480 4.460 0.001 0.000 0.329 249 C C 0.690 175.247 174.990 -0.721 0.000 1.194 249 C CA 0.212 58.917 59.018 -0.521 0.000 1.779 249 C CB 0.711 27.894 27.740 -0.929 0.000 2.322 249 C HN 1.337 nan 8.230 nan 0.000 0.500 250 G N 0.721 109.464 108.800 -0.094 0.000 2.418 250 G HA2 0.485 4.446 3.960 0.001 0.000 0.206 250 G HA3 0.485 4.446 3.960 0.001 0.000 0.206 250 G C 0.139 175.249 174.900 0.349 0.000 1.202 250 G CA 0.154 45.337 45.100 0.138 0.000 1.061 250 G HN 2.641 nan 8.290 nan 0.000 0.563 251 G N -1.406 107.611 108.800 0.362 0.000 2.698 251 G HA2 0.393 4.353 3.960 0.001 0.000 0.233 251 G HA3 0.393 4.353 3.960 0.001 0.000 0.233 251 G C 0.315 175.451 174.900 0.394 0.000 1.352 251 G CA 1.246 46.636 45.100 0.482 0.000 0.879 251 G HN 2.577 nan 8.290 nan 0.000 0.567 252 S N -1.326 114.600 115.700 0.377 0.000 2.592 252 S HA 0.583 5.053 4.470 0.001 0.000 0.275 252 S C -0.747 174.003 174.600 0.250 0.000 1.169 252 S CA -0.513 57.920 58.200 0.389 0.000 0.958 252 S CB 0.913 64.321 63.200 0.346 0.000 1.095 252 S HN 1.058 nan 8.310 nan 0.000 0.471 253 L N 5.206 126.551 121.223 0.202 0.000 2.287 253 L HA 0.502 4.842 4.340 0.001 0.000 0.280 253 L C -0.347 176.615 176.870 0.153 0.000 1.055 253 L CA -0.578 54.263 54.840 0.003 0.000 0.863 253 L CB 0.697 42.667 42.059 -0.148 0.000 1.245 253 L HN 0.583 nan 8.230 nan 0.000 0.432 254 N N 3.727 122.590 118.700 0.272 0.000 2.444 254 N HA 0.195 4.935 4.740 0.001 0.000 0.262 254 N C -0.596 175.082 175.510 0.279 0.000 0.974 254 N CA -0.481 52.697 53.050 0.212 0.000 0.933 254 N CB 1.808 40.383 38.487 0.147 0.000 1.137 254 N HN 0.552 nan 8.380 nan 0.000 0.498 255 E N 0.575 120.893 120.200 0.198 0.000 2.113 255 E HA 0.206 4.557 4.350 0.001 0.000 0.273 255 E C -0.870 175.777 176.600 0.077 0.000 0.924 255 E CA -0.931 55.567 56.400 0.163 0.000 0.764 255 E CB 0.897 30.694 29.700 0.162 0.000 1.104 255 E HN 0.390 nan 8.360 nan 0.000 0.406 256 D N 4.293 124.717 120.400 0.039 0.000 2.229 256 D HA 0.077 4.718 4.640 0.001 0.000 0.249 256 D C 0.897 177.204 176.300 0.011 0.000 1.027 256 D CA -0.751 53.260 54.000 0.018 0.000 0.923 256 D CB 1.221 42.023 40.800 0.004 0.000 1.174 256 D HN 0.350 nan 8.370 nan 0.000 0.443 257 I N 1.081 121.657 120.570 0.011 0.000 2.676 257 I HA -0.037 4.133 4.170 0.001 0.000 0.259 257 I C 2.307 178.425 176.117 0.000 0.000 1.194 257 I CA 0.628 61.934 61.300 0.010 0.000 1.473 257 I CB -1.548 36.459 38.000 0.012 0.000 1.096 257 I HN 0.661 nan 8.210 nan 0.000 0.443 258 G N 0.734 109.531 108.800 -0.006 0.000 2.708 258 G HA2 -0.038 3.923 3.960 0.001 0.000 0.210 258 G HA3 -0.038 3.923 3.960 0.001 0.000 0.210 258 G C 0.862 175.748 174.900 -0.024 0.000 1.141 258 G CA 0.116 45.208 45.100 -0.013 0.000 0.788 258 G HN 0.302 nan 8.290 nan 0.000 0.531 259 M N -0.067 119.514 119.600 -0.032 0.000 2.060 259 M HA 0.197 4.677 4.480 0.001 0.000 0.231 259 M C -2.426 173.850 176.300 -0.040 0.000 0.936 259 M CA -1.224 54.045 55.300 -0.052 0.000 0.981 259 M CB 2.774 35.315 32.600 -0.098 0.000 2.216 259 M HN -0.152 nan 8.290 nan 0.000 0.399 260 P HA -0.041 nan 4.420 nan 0.000 0.222 260 P C 0.065 177.370 177.300 0.009 0.000 1.153 260 P CA 1.085 64.189 63.100 0.007 0.000 0.798 260 P CB 0.352 32.058 31.700 0.011 0.000 0.796 261 E N -0.373 119.821 120.200 -0.011 0.000 2.698 261 E HA 0.072 4.422 4.350 0.001 0.000 0.242 261 E C 1.106 177.673 176.600 -0.056 0.000 1.243 261 E CA -0.199 56.196 56.400 -0.009 0.000 1.483 261 E CB 0.066 29.765 29.700 -0.001 0.000 1.495 261 E HN 0.151 nan 8.360 nan 0.000 0.440 262 K N 0.094 120.422 120.400 -0.120 0.000 2.007 262 K HA -0.078 4.242 4.320 0.001 0.000 0.206 262 K C 0.571 176.982 176.600 -0.314 0.000 1.047 262 K CA 1.098 57.206 56.287 -0.298 0.000 0.937 262 K CB 0.210 32.388 32.500 -0.536 0.000 0.718 262 K HN 0.288 nan 8.250 nan 0.000 0.438 263 Y N -0.015 120.288 120.300 0.006 0.000 2.645 263 Y HA 0.164 4.714 4.550 0.001 0.000 0.307 263 Y C 0.832 176.726 175.900 -0.010 0.000 1.151 263 Y CA -0.670 57.427 58.100 -0.005 0.000 1.291 263 Y CB 0.645 39.113 38.460 0.013 0.000 1.135 263 Y HN 0.030 nan 8.280 nan 0.000 0.523 264 M N -0.440 119.211 119.600 0.086 0.000 2.431 264 M HA 0.123 4.603 4.480 0.001 0.000 0.237 264 M C -0.048 176.273 176.300 0.035 0.000 1.130 264 M CA 0.496 55.836 55.300 0.066 0.000 1.002 264 M CB -0.312 32.318 32.600 0.049 0.000 1.524 264 M HN 0.187 nan 8.290 nan 0.000 0.482 265 N N 0.607 119.316 118.700 0.015 0.000 2.541 265 N HA 0.212 4.952 4.740 0.001 0.000 0.297 265 N C -1.068 174.407 175.510 -0.058 0.000 1.503 265 N CA -0.066 52.974 53.050 -0.015 0.000 0.919 265 N CB 0.834 39.308 38.487 -0.022 0.000 1.305 265 N HN 0.057 nan 8.380 nan 0.000 0.501 266 L N 1.787 122.960 121.223 -0.084 0.000 2.260 266 L HA 0.340 4.680 4.340 0.001 0.000 0.289 266 L C 0.277 176.966 176.870 -0.303 0.000 1.057 266 L CA -0.641 54.032 54.840 -0.278 0.000 0.811 266 L CB 0.981 42.784 42.059 -0.426 0.000 1.184 266 L HN 0.004 nan 8.230 nan 0.000 0.429 267 V N 1.884 121.596 119.914 -0.336 0.000 2.222 267 V HA 0.319 4.439 4.120 0.001 0.000 0.253 267 V C 0.237 176.102 176.094 -0.381 0.000 1.210 267 V CA -0.689 61.465 62.300 -0.243 0.000 1.079 267 V CB -1.037 30.699 31.823 -0.144 0.000 1.265 267 V HN 0.352 nan 8.190 nan 0.000 0.494 268 F N 4.438 124.198 119.950 -0.316 0.000 2.471 268 F HA 0.461 4.988 4.527 0.001 0.000 0.353 268 F C -1.254 174.340 175.800 -0.344 0.000 1.113 268 F CA -1.747 55.984 58.000 -0.448 0.000 1.262 268 F CB 0.513 39.224 39.000 -0.481 0.000 1.146 268 F HN 0.336 nan 8.300 nan 0.000 0.578 269 P HA 0.019 nan 4.420 nan 0.000 0.267 269 P C 0.376 177.576 177.300 -0.168 0.000 1.201 269 P CA 0.040 63.091 63.100 -0.081 0.000 0.775 269 P CB 0.590 32.272 31.700 -0.030 0.000 0.854 270 R N 2.209 122.625 120.500 -0.141 0.000 2.073 270 R HA -0.132 4.208 4.340 0.001 0.000 0.234 270 R C 1.550 177.748 176.300 -0.169 0.000 1.134 270 R CA 1.527 57.532 56.100 -0.157 0.000 0.952 270 R CB -0.408 29.834 30.300 -0.097 0.000 0.850 270 R HN 0.513 nan 8.270 nan 0.000 0.433 271 K N 0.992 121.323 120.400 -0.115 0.000 2.504 271 K HA 0.083 4.404 4.320 0.001 0.000 0.195 271 K C 0.818 177.363 176.600 -0.091 0.000 1.036 271 K CA -0.066 56.170 56.287 -0.084 0.000 0.984 271 K CB -0.029 32.441 32.500 -0.050 0.000 0.788 271 K HN 0.119 nan 8.250 nan 0.000 0.488 272 L N 1.863 122.999 121.223 -0.144 0.000 2.700 272 L HA -0.134 4.206 4.340 0.001 0.000 0.272 272 L C 0.812 177.641 176.870 -0.069 0.000 1.176 272 L CA 0.190 54.963 54.840 -0.112 0.000 0.961 272 L CB 0.145 42.096 42.059 -0.180 0.000 1.249 272 L HN 0.435 nan 8.230 nan 0.000 0.487 273 C N 2.227 121.531 119.300 0.008 0.000 3.882 273 C HA 0.420 4.880 4.460 0.001 0.000 0.340 273 C C 0.708 175.724 174.990 0.044 0.000 1.563 273 C CA -0.762 58.282 59.018 0.044 0.000 1.870 273 C CB -0.063 27.694 27.740 0.028 0.000 2.795 273 C HN 0.810 nan 8.230 nan 0.000 0.692 274 R N 1.572 122.095 120.500 0.038 0.000 2.435 274 R HA 0.812 5.153 4.340 0.001 0.000 0.308 274 R C -0.894 175.431 176.300 0.040 0.000 0.975 274 R CA -0.012 56.103 56.100 0.025 0.000 0.867 274 R CB 1.526 31.830 30.300 0.007 0.000 1.171 274 R HN 0.708 nan 8.270 nan 0.000 0.470 275 L N -1.183 120.060 121.223 0.034 0.000 2.892 275 L HA 1.010 5.350 4.340 0.001 0.000 0.269 275 L C -1.094 175.801 176.870 0.041 0.000 1.058 275 L CA -0.851 54.028 54.840 0.065 0.000 0.923 275 L CB 2.348 44.464 42.059 0.095 0.000 1.518 275 L HN 0.514 nan 8.230 nan 0.000 0.402 276 G N 1.642 110.498 108.800 0.093 0.000 1.985 276 G HA2 0.432 4.393 3.960 0.001 0.000 0.303 276 G HA3 0.432 4.393 3.960 0.001 0.000 0.303 276 G C -1.443 173.564 174.900 0.178 0.000 1.730 276 G CA -0.645 44.509 45.100 0.090 0.000 1.057 276 G HN 0.627 nan 8.290 nan 0.000 0.515 277 L N 1.678 122.994 121.223 0.155 0.000 2.326 277 L HA 0.455 4.795 4.340 0.001 0.000 0.278 277 L C 0.684 177.643 176.870 0.148 0.000 1.092 277 L CA -0.567 54.400 54.840 0.211 0.000 0.810 277 L CB 1.482 43.630 42.059 0.147 0.000 1.153 277 L HN 0.408 nan 8.230 nan 0.000 0.439 278 S N 1.727 117.527 115.700 0.166 0.000 2.565 278 S HA 0.272 4.743 4.470 0.001 0.000 0.274 278 S C -0.115 174.505 174.600 0.033 0.000 1.309 278 S CA -0.272 57.916 58.200 -0.019 0.000 1.043 278 S CB 0.319 63.426 63.200 -0.154 0.000 0.939 278 S HN 0.630 nan 8.310 nan 0.000 0.504 279 Y N -1.757 118.618 120.300 0.126 0.000 4.798 279 Y HA -0.245 4.305 4.550 0.001 0.000 0.237 279 Y C 0.565 176.493 175.900 0.046 0.000 1.017 279 Y CA 0.427 58.578 58.100 0.084 0.000 2.010 279 Y CB -2.319 36.188 38.460 0.079 0.000 1.582 279 Y HN 0.720 nan 8.280 nan 0.000 0.621 280 M N 1.613 121.279 119.600 0.111 0.000 2.356 280 M HA 0.369 4.850 4.480 0.001 0.000 0.348 280 M C 0.960 177.277 176.300 0.027 0.000 1.595 280 M CA 1.121 56.441 55.300 0.033 0.000 1.095 280 M CB 0.217 32.802 32.600 -0.025 0.000 1.963 280 M HN 0.352 nan 8.290 nan 0.000 0.459 281 G N 5.024 113.846 108.800 0.035 0.000 2.568 281 G HA2 0.516 4.476 3.960 0.001 0.000 0.293 281 G HA3 0.516 4.476 3.960 0.001 0.000 0.293 281 G C -2.469 172.437 174.900 0.009 0.000 1.347 281 G CA -1.206 43.916 45.100 0.037 0.000 1.039 281 G HN 0.559 nan 8.290 nan 0.000 0.523 282 P HA -0.056 nan 4.420 nan 0.000 0.219 282 P C 1.496 178.816 177.300 0.032 0.000 1.150 282 P CA 0.714 63.827 63.100 0.022 0.000 0.814 282 P CB 0.214 31.938 31.700 0.040 0.000 0.787 283 N N 0.169 118.897 118.700 0.048 0.000 2.223 283 N HA -0.138 4.603 4.740 0.001 0.000 0.185 283 N C 1.371 176.920 175.510 0.065 0.000 1.016 283 N CA 1.193 54.282 53.050 0.065 0.000 0.863 283 N CB -0.499 38.036 38.487 0.080 0.000 0.983 283 N HN 0.407 nan 8.380 nan 0.000 0.429 284 E N 0.557 120.783 120.200 0.043 0.000 2.415 284 E HA 0.017 4.368 4.350 0.001 0.000 0.197 284 E C 1.783 178.333 176.600 -0.083 0.000 1.007 284 E CA -0.124 56.289 56.400 0.022 0.000 0.890 284 E CB -0.388 29.309 29.700 -0.004 0.000 0.891 284 E HN 0.350 nan 8.360 nan 0.000 0.496 285 M N 1.965 121.490 119.600 -0.125 0.000 2.143 285 M HA -0.104 4.377 4.480 0.001 0.000 0.258 285 M C -0.948 174.999 176.300 -0.588 0.000 1.071 285 M CA 1.854 56.985 55.300 -0.281 0.000 1.088 285 M CB -1.015 31.461 32.600 -0.208 0.000 1.360 285 M HN -0.085 nan 8.290 nan 0.000 0.404 286 P HA -0.183 nan 4.420 nan 0.000 0.218 286 P C 1.457 178.494 177.300 -0.439 0.000 1.146 286 P CA 1.681 64.500 63.100 -0.469 0.000 0.820 286 P CB -0.823 30.943 31.700 0.110 0.000 0.778 287 I N -4.901 115.511 120.570 -0.263 0.000 3.083 287 I HA -0.099 4.072 4.170 0.001 0.000 0.273 287 I C 1.442 177.417 176.117 -0.237 0.000 1.297 287 I CA 1.237 62.484 61.300 -0.087 0.000 1.452 287 I CB -0.702 37.353 38.000 0.091 0.000 1.078 287 I HN -0.070 nan 8.210 nan 0.000 0.484 288 L N -0.660 120.204 121.223 -0.599 0.000 2.416 288 L HA 0.102 4.443 4.340 0.001 0.000 0.216 288 L C 2.185 178.528 176.870 -0.878 0.000 1.098 288 L CA 0.282 54.582 54.840 -0.900 0.000 0.840 288 L CB -0.353 41.236 42.059 -0.782 0.000 0.981 288 L HN 0.113 nan 8.230 nan 0.000 0.462 289 F N 1.049 120.769 119.950 -0.384 0.000 2.091 289 F HA -0.131 4.397 4.527 0.001 0.000 0.299 289 F C -0.185 175.469 175.800 -0.243 0.000 1.103 289 F CA 0.952 58.788 58.000 -0.275 0.000 1.228 289 F CB -2.517 36.393 39.000 -0.150 0.000 0.984 289 F HN 0.092 nan 8.300 nan 0.000 0.477 290 P HA -0.192 nan 4.420 nan 0.000 0.225 290 P C 0.200 177.625 177.300 0.207 0.000 1.141 290 P CA 1.525 64.700 63.100 0.125 0.000 0.774 290 P CB -0.581 31.250 31.700 0.218 0.000 0.760 291 F N -6.926 113.028 119.950 0.007 0.000 2.916 291 F HA 0.621 5.149 4.527 0.001 0.000 0.331 291 F C 1.174 176.957 175.800 -0.029 0.000 1.268 291 F CA -0.523 57.466 58.000 -0.018 0.000 1.016 291 F CB -0.815 38.159 39.000 -0.043 0.000 1.386 291 F HN -0.259 nan 8.300 nan 0.000 0.503 292 A N 1.017 123.704 122.820 -0.222 0.000 2.067 292 A HA 0.244 4.564 4.320 0.001 0.000 0.219 292 A C 2.252 179.820 177.584 -0.027 0.000 1.158 292 A CA 1.484 53.418 52.037 -0.171 0.000 0.661 292 A CB -0.826 18.104 19.000 -0.118 0.000 0.801 292 A HN 0.706 nan 8.150 nan 0.000 0.452 293 A N -1.122 121.709 122.820 0.018 0.000 2.172 293 A HA -0.108 4.212 4.320 0.001 0.000 0.216 293 A C 1.989 179.604 177.584 0.052 0.000 1.154 293 A CA 1.518 53.576 52.037 0.036 0.000 0.701 293 A CB -0.302 18.722 19.000 0.041 0.000 0.789 293 A HN 0.668 nan 8.150 nan 0.000 0.465 294 Q N -0.779 119.071 119.800 0.083 0.000 2.396 294 Q HA 0.230 4.571 4.340 0.001 0.000 0.220 294 Q C 0.033 176.086 176.000 0.088 0.000 0.900 294 Q CA -0.239 55.623 55.803 0.097 0.000 0.925 294 Q CB 0.136 28.964 28.738 0.149 0.000 1.065 294 Q HN 0.621 nan 8.270 nan 0.000 0.535 295 I N 2.280 122.903 120.570 0.089 0.000 2.752 295 I HA -0.131 4.040 4.170 0.001 0.000 0.289 295 I C 0.975 177.112 176.117 0.033 0.000 1.197 295 I CA 0.835 62.169 61.300 0.057 0.000 1.432 295 I CB 0.465 38.466 38.000 0.002 0.000 1.359 295 I HN 0.242 nan 8.210 nan 0.000 0.571 296 R N 4.148 124.666 120.500 0.030 0.000 2.469 296 R HA 0.261 4.602 4.340 0.001 0.000 0.250 296 R C 0.098 176.408 176.300 0.017 0.000 0.909 296 R CA -0.198 55.916 56.100 0.023 0.000 1.050 296 R CB 0.703 31.017 30.300 0.022 0.000 1.256 296 R HN 0.467 nan 8.270 nan 0.000 0.550 297 K N 1.007 121.415 120.400 0.012 0.000 2.525 297 K HA 0.425 4.746 4.320 0.001 0.000 0.254 297 K C -2.054 174.547 176.600 0.001 0.000 0.934 297 K CA -0.668 55.622 56.287 0.005 0.000 0.802 297 K CB 1.892 34.391 32.500 -0.002 0.000 1.295 297 K HN -0.169 nan 8.250 nan 0.000 0.433 298 L N 2.778 124.001 121.223 -0.000 0.000 2.470 298 L HA 0.372 4.712 4.340 0.001 0.000 0.268 298 L C -1.521 175.349 176.870 -0.000 0.000 0.964 298 L CA -0.260 54.575 54.840 -0.009 0.000 0.839 298 L CB 2.028 44.075 42.059 -0.021 0.000 1.276 298 L HN 0.608 nan 8.230 nan 0.000 0.403 299 D N 4.368 124.772 120.400 0.007 0.000 2.590 299 D HA 0.276 4.916 4.640 0.001 0.000 0.280 299 D C 0.355 176.663 176.300 0.013 0.000 1.197 299 D CA -0.061 53.955 54.000 0.026 0.000 0.967 299 D CB 0.380 41.227 40.800 0.079 0.000 0.987 299 D HN 0.473 nan 8.370 nan 0.000 0.508 300 L N 1.980 123.189 121.223 -0.023 0.000 2.718 300 L HA 0.050 4.390 4.340 0.001 0.000 0.242 300 L C 1.903 178.725 176.870 -0.078 0.000 1.203 300 L CA -0.266 54.546 54.840 -0.045 0.000 1.011 300 L CB 0.035 42.057 42.059 -0.062 0.000 1.250 300 L HN 0.267 nan 8.230 nan 0.000 0.437 301 L N -0.211 120.903 121.223 -0.181 0.000 2.056 301 L HA -0.158 4.182 4.340 0.001 0.000 0.207 301 L C 1.452 177.979 176.870 -0.571 0.000 1.078 301 L CA 2.138 56.706 54.840 -0.454 0.000 0.749 301 L CB -0.522 41.078 42.059 -0.764 0.000 0.901 301 L HN 0.355 nan 8.230 nan 0.000 0.433 302 Y N -1.041 119.223 120.300 -0.059 0.000 2.636 302 Y HA 0.475 5.025 4.550 0.001 0.000 0.260 302 Y C 0.964 176.771 175.900 -0.154 0.000 1.177 302 Y CA -0.318 57.688 58.100 -0.157 0.000 1.209 302 Y CB -0.235 38.054 38.460 -0.284 0.000 1.166 302 Y HN 0.059 nan 8.280 nan 0.000 0.531 303 A N 0.456 123.276 122.820 0.000 0.000 2.351 303 A HA 0.412 4.732 4.320 0.001 0.000 0.257 303 A C 0.082 177.695 177.584 0.049 0.000 1.087 303 A CA -0.200 51.843 52.037 0.010 0.000 0.798 303 A CB 0.480 19.456 19.000 -0.040 0.000 1.033 303 A HN 0.319 nan 8.150 nan 0.000 0.488 304 L N 1.885 123.151 121.223 0.072 0.000 3.034 304 L HA 0.289 4.629 4.340 0.001 0.000 0.245 304 L C 0.008 176.921 176.870 0.073 0.000 1.295 304 L CA 0.491 55.391 54.840 0.099 0.000 1.068 304 L CB -0.713 41.431 42.059 0.141 0.000 1.426 304 L HN 0.663 nan 8.230 nan 0.000 0.531 305 L N -2.672 118.581 121.223 0.050 0.000 2.330 305 L HA 0.711 5.052 4.340 0.001 0.000 0.271 305 L C -0.364 176.594 176.870 0.147 0.000 1.013 305 L CA -0.675 54.190 54.840 0.041 0.000 0.816 305 L CB 1.880 43.904 42.059 -0.058 0.000 1.287 305 L HN 0.076 nan 8.230 nan 0.000 0.435 306 E N 0.254 120.545 120.200 0.152 0.000 2.254 306 E HA 0.149 4.500 4.350 0.001 0.000 0.261 306 E C 0.342 177.090 176.600 0.248 0.000 1.051 306 E CA -0.575 55.929 56.400 0.173 0.000 0.902 306 E CB 1.560 31.316 29.700 0.094 0.000 1.168 306 E HN 0.740 nan 8.360 nan 0.000 0.423 307 T N 0.135 114.759 114.554 0.117 0.000 2.714 307 T HA -0.289 4.062 4.350 0.001 0.000 0.268 307 T C 1.614 176.377 174.700 0.105 0.000 1.036 307 T CA 2.289 64.417 62.100 0.046 0.000 1.148 307 T CB -0.108 68.751 68.868 -0.015 0.000 0.856 307 T HN 0.559 nan 8.240 nan 0.000 0.462 308 E N -0.287 119.970 120.200 0.094 0.000 2.028 308 E HA -0.131 4.220 4.350 0.001 0.000 0.190 308 E C 1.924 178.579 176.600 0.092 0.000 0.984 308 E CA 1.364 57.810 56.400 0.077 0.000 0.800 308 E CB -0.069 29.664 29.700 0.054 0.000 0.758 308 E HN 0.539 nan 8.360 nan 0.000 0.448 309 D N 0.087 120.547 120.400 0.099 0.000 2.182 309 D HA -0.196 4.444 4.640 0.001 0.000 0.201 309 D C 1.810 178.134 176.300 0.041 0.000 0.986 309 D CA 0.949 54.988 54.000 0.064 0.000 0.847 309 D CB -0.410 40.412 40.800 0.037 0.000 0.942 309 D HN 0.421 nan 8.370 nan 0.000 0.467 310 H N 0.156 119.234 119.070 0.013 0.000 2.319 310 H HA -0.105 4.451 4.556 0.001 0.000 0.299 310 H C 2.440 177.769 175.328 0.002 0.000 1.092 310 H CA 1.356 57.407 56.048 0.006 0.000 1.302 310 H CB -0.190 29.576 29.762 0.007 0.000 1.373 310 H HN 0.252 nan 8.280 nan 0.000 0.497 311 C N 0.237 119.617 119.300 0.134 0.000 2.429 311 C HA -0.127 4.334 4.460 0.001 0.000 0.277 311 C C 3.134 178.121 174.990 -0.005 0.000 1.262 311 C CA 1.503 60.556 59.018 0.058 0.000 1.733 311 C CB -1.123 26.648 27.740 0.051 0.000 2.010 311 C HN 0.736 nan 8.230 nan 0.000 0.483 312 T N -0.752 113.808 114.554 0.010 0.000 2.915 312 T HA -0.107 4.244 4.350 0.001 0.000 0.269 312 T C 1.660 176.370 174.700 0.015 0.000 1.071 312 T CA 1.293 63.385 62.100 -0.014 0.000 1.132 312 T CB -0.336 68.545 68.868 0.021 0.000 0.878 312 T HN 0.576 nan 8.240 nan 0.000 0.479 313 L N -0.130 121.118 121.223 0.042 0.000 2.130 313 L HA 0.214 4.554 4.340 0.001 0.000 0.200 313 L C 2.631 179.491 176.870 -0.016 0.000 1.075 313 L CA 0.677 55.552 54.840 0.058 0.000 0.768 313 L CB -0.187 41.854 42.059 -0.029 0.000 0.933 313 L HN 0.189 nan 8.230 nan 0.000 0.451 314 I N -0.169 120.386 120.570 -0.026 0.000 2.185 314 I HA -0.378 3.793 4.170 0.001 0.000 0.246 314 I C 2.476 178.534 176.117 -0.099 0.000 1.088 314 I CA 1.438 62.724 61.300 -0.024 0.000 1.347 314 I CB -1.089 36.925 38.000 0.023 0.000 1.041 314 I HN 0.537 nan 8.210 nan 0.000 0.415 315 Q N 1.648 121.317 119.800 -0.218 0.000 2.268 315 Q HA -0.213 4.127 4.340 0.001 0.000 0.210 315 Q C 1.811 177.574 176.000 -0.396 0.000 0.988 315 Q CA 1.546 57.012 55.803 -0.562 0.000 0.883 315 Q CB 0.036 28.448 28.738 -0.545 0.000 0.911 315 Q HN 0.594 nan 8.270 nan 0.000 0.430 316 K N -1.275 119.022 120.400 -0.172 0.000 2.393 316 K HA 0.092 4.413 4.320 0.001 0.000 0.193 316 K C 0.482 177.058 176.600 -0.040 0.000 1.026 316 K CA 0.088 56.321 56.287 -0.090 0.000 1.064 316 K CB 0.642 33.138 32.500 -0.006 0.000 0.833 316 K HN 0.092 nan 8.250 nan 0.000 0.521 317 C N 3.244 122.526 119.300 -0.030 0.000 2.566 317 C HA 0.234 4.695 4.460 0.001 0.000 0.300 317 C C -1.230 173.783 174.990 0.038 0.000 1.147 317 C CA -1.413 57.606 59.018 0.001 0.000 1.644 317 C CB 0.245 27.978 27.740 -0.011 0.000 1.691 317 C HN 0.239 nan 8.230 nan 0.000 0.440 318 P HA -0.086 nan 4.420 nan 0.000 0.223 318 P C 0.744 178.081 177.300 0.062 0.000 1.151 318 P CA 1.460 64.611 63.100 0.085 0.000 0.787 318 P CB 0.331 32.080 31.700 0.083 0.000 0.788 319 N N -0.623 118.105 118.700 0.047 0.000 2.205 319 N HA 0.065 4.805 4.740 0.001 0.000 0.201 319 N C 0.607 176.139 175.510 0.037 0.000 1.128 319 N CA -0.320 52.754 53.050 0.040 0.000 0.867 319 N CB -0.037 38.471 38.487 0.036 0.000 0.996 319 N HN 0.128 nan 8.380 nan 0.000 0.503 320 L N 2.937 124.182 121.223 0.037 0.000 2.700 320 L HA -0.117 4.224 4.340 0.001 0.000 0.276 320 L C 1.324 178.217 176.870 0.039 0.000 1.200 320 L CA 0.775 55.635 54.840 0.033 0.000 0.951 320 L CB 0.390 42.469 42.059 0.033 0.000 1.226 320 L HN 0.259 nan 8.230 nan 0.000 0.489 321 E N 3.404 123.624 120.200 0.034 0.000 2.562 321 E HA 0.217 4.568 4.350 0.001 0.000 0.214 321 E C -0.538 176.085 176.600 0.038 0.000 0.979 321 E CA -0.213 56.210 56.400 0.038 0.000 1.002 321 E CB 0.534 30.254 29.700 0.034 0.000 1.048 321 E HN 0.354 nan 8.360 nan 0.000 0.488 322 V N 2.002 121.934 119.914 0.031 0.000 2.668 322 V HA 0.395 4.515 4.120 0.001 0.000 0.304 322 V C -1.365 174.747 176.094 0.029 0.000 1.071 322 V CA -0.967 61.350 62.300 0.028 0.000 0.894 322 V CB 1.935 33.760 31.823 0.003 0.000 1.008 322 V HN 0.257 nan 8.190 nan 0.000 0.425 323 L N 3.992 125.242 121.223 0.045 0.000 2.410 323 L HA 0.762 5.102 4.340 0.001 0.000 0.270 323 L C -0.683 176.218 176.870 0.052 0.000 0.983 323 L CA 0.164 55.031 54.840 0.044 0.000 0.822 323 L CB 2.179 44.272 42.059 0.057 0.000 1.285 323 L HN 0.726 nan 8.230 nan 0.000 0.409 324 E N 3.201 123.422 120.200 0.035 0.000 2.224 324 E HA 0.622 4.973 4.350 0.001 0.000 0.265 324 E C -1.178 175.428 176.600 0.011 0.000 0.878 324 E CA -0.622 55.796 56.400 0.030 0.000 0.759 324 E CB 2.251 31.959 29.700 0.013 0.000 1.164 324 E HN 0.686 nan 8.360 nan 0.000 0.414 325 T N 1.245 115.810 114.554 0.019 0.000 2.739 325 T HA 0.360 4.710 4.350 0.001 0.000 0.303 325 T C -1.018 173.680 174.700 -0.002 0.000 1.389 325 T CA -0.726 61.389 62.100 0.024 0.000 1.001 325 T CB 1.194 70.141 68.868 0.131 0.000 1.436 325 T HN 0.344 nan 8.240 nan 0.000 0.500 326 R N 1.169 121.664 120.500 -0.009 0.000 2.583 326 R HA 0.306 4.646 4.340 0.001 0.000 0.268 326 R C 1.561 177.829 176.300 -0.053 0.000 1.101 326 R CA 0.003 56.077 56.100 -0.043 0.000 1.180 326 R CB 0.181 30.453 30.300 -0.047 0.000 1.128 326 R HN 0.855 nan 8.270 nan 0.000 0.568 327 N N -0.524 118.142 118.700 -0.056 0.000 2.571 327 N HA -0.088 4.653 4.740 0.001 0.000 0.189 327 N C 0.961 176.413 175.510 -0.097 0.000 1.154 327 N CA 0.048 53.066 53.050 -0.053 0.000 0.907 327 N CB 0.057 38.532 38.487 -0.019 0.000 0.977 327 N HN 0.151 nan 8.380 nan 0.000 0.449 328 V N 1.087 120.924 119.914 -0.129 0.000 2.469 328 V HA -0.232 3.889 4.120 0.001 0.000 0.251 328 V C 2.342 178.209 176.094 -0.378 0.000 1.064 328 V CA 1.097 63.287 62.300 -0.183 0.000 1.066 328 V CB -0.637 31.113 31.823 -0.122 0.000 0.667 328 V HN 0.367 nan 8.190 nan 0.000 0.461 329 I N 0.868 121.104 120.570 -0.557 0.000 2.227 329 I HA -0.161 4.010 4.170 0.001 0.000 0.250 329 I C 1.290 177.259 176.117 -0.248 0.000 1.087 329 I CA 1.533 62.490 61.300 -0.572 0.000 1.352 329 I CB -0.862 36.998 38.000 -0.234 0.000 1.043 329 I HN 0.514 nan 8.210 nan 0.000 0.425 330 G N -0.379 108.332 108.800 -0.148 0.000 2.856 330 G HA2 -0.272 3.688 3.960 0.001 0.000 0.674 330 G HA3 -0.272 3.688 3.960 0.001 0.000 0.674 330 G C 0.405 175.288 174.900 -0.029 0.000 1.519 330 G CA -0.023 45.035 45.100 -0.070 0.000 0.940 330 G HN 0.313 nan 8.290 nan 0.000 0.564 331 D N 0.131 120.527 120.400 -0.007 0.000 2.123 331 D HA -0.128 4.513 4.640 0.001 0.000 0.196 331 D C 2.389 178.699 176.300 0.017 0.000 0.992 331 D CA 1.538 55.544 54.000 0.011 0.000 0.833 331 D CB -0.019 40.790 40.800 0.015 0.000 0.954 331 D HN 0.565 nan 8.370 nan 0.000 0.455 332 R N 0.488 120.996 120.500 0.013 0.000 2.083 332 R HA -0.127 4.214 4.340 0.001 0.000 0.237 332 R C 2.377 178.698 176.300 0.035 0.000 1.137 332 R CA 1.931 58.046 56.100 0.025 0.000 0.951 332 R CB -0.597 29.716 30.300 0.023 0.000 0.851 332 R HN 0.165 nan 8.270 nan 0.000 0.434 333 G N 0.803 109.616 108.800 0.022 0.000 2.440 333 G HA2 -0.254 3.707 3.960 0.001 0.000 0.218 333 G HA3 -0.254 3.707 3.960 0.001 0.000 0.218 333 G C 1.447 176.380 174.900 0.055 0.000 1.154 333 G CA 0.922 46.046 45.100 0.040 0.000 0.767 333 G HN 0.274 nan 8.290 nan 0.000 0.552 334 L N 0.111 121.358 121.223 0.039 0.000 2.079 334 L HA -0.091 4.249 4.340 0.001 0.000 0.210 334 L C 2.889 179.795 176.870 0.060 0.000 1.081 334 L CA 1.346 56.217 54.840 0.051 0.000 0.752 334 L CB -0.356 41.728 42.059 0.042 0.000 0.896 334 L HN 0.298 nan 8.230 nan 0.000 0.433 335 E N -0.556 119.677 120.200 0.056 0.000 2.110 335 E HA -0.184 4.166 4.350 0.001 0.000 0.193 335 E C 2.243 178.899 176.600 0.092 0.000 0.988 335 E CA 1.318 57.752 56.400 0.058 0.000 0.804 335 E CB -0.047 29.681 29.700 0.047 0.000 0.745 335 E HN 0.311 nan 8.360 nan 0.000 0.458 336 V N 1.283 121.272 119.914 0.125 0.000 2.343 336 V HA -0.227 3.894 4.120 0.001 0.000 0.247 336 V C 2.248 178.503 176.094 0.269 0.000 1.051 336 V CA 1.255 63.689 62.300 0.223 0.000 1.036 336 V CB -0.361 31.548 31.823 0.143 0.000 0.654 336 V HN 0.230 nan 8.190 nan 0.000 0.451 337 L N 0.677 121.994 121.223 0.157 0.000 2.362 337 L HA 0.038 4.378 4.340 0.001 0.000 0.219 337 L C 2.287 179.222 176.870 0.108 0.000 1.134 337 L CA 1.821 56.742 54.840 0.135 0.000 0.807 337 L CB -0.693 41.425 42.059 0.098 0.000 0.927 337 L HN 0.219 nan 8.230 nan 0.000 0.447 338 A N -0.849 122.018 122.820 0.079 0.000 1.970 338 A HA -0.119 4.201 4.320 0.001 0.000 0.216 338 A C 2.056 179.626 177.584 -0.025 0.000 1.170 338 A CA 1.306 53.356 52.037 0.023 0.000 0.645 338 A CB -0.313 18.692 19.000 0.007 0.000 0.816 338 A HN 0.621 nan 8.150 nan 0.000 0.447 339 Q N -2.384 117.378 119.800 -0.063 0.000 2.189 339 Q HA 0.151 4.491 4.340 0.001 0.000 0.223 339 Q C 0.512 176.323 176.000 -0.316 0.000 0.828 339 Q CA 0.075 55.758 55.803 -0.200 0.000 0.967 339 Q CB -0.055 28.517 28.738 -0.277 0.000 1.139 339 Q HN 0.660 nan 8.270 nan 0.000 0.497 340 Y N 0.133 120.434 120.300 0.003 0.000 2.500 340 Y HA 0.206 4.757 4.550 0.001 0.000 0.284 340 Y C 0.973 176.878 175.900 0.008 0.000 1.118 340 Y CA 0.176 58.279 58.100 0.005 0.000 1.241 340 Y CB 0.971 39.436 38.460 0.008 0.000 1.171 340 Y HN 0.152 nan 8.280 nan 0.000 0.540 341 C N 2.309 121.702 119.300 0.156 0.000 2.250 341 C HA 0.356 4.817 4.460 0.001 0.000 0.319 341 C C 1.022 176.047 174.990 0.059 0.000 1.124 341 C CA -1.304 57.773 59.018 0.098 0.000 1.527 341 C CB 0.138 27.933 27.740 0.093 0.000 2.001 341 C HN 0.297 nan 8.230 nan 0.000 0.435 342 K N 0.961 121.385 120.400 0.039 0.000 2.314 342 K HA 0.000 4.321 4.320 0.001 0.000 0.198 342 K C 1.598 178.216 176.600 0.030 0.000 1.045 342 K CA 0.820 57.120 56.287 0.021 0.000 0.988 342 K CB 0.166 32.668 32.500 0.003 0.000 0.783 342 K HN 0.629 nan 8.250 nan 0.000 0.484 343 Q N 0.594 120.417 119.800 0.037 0.000 2.472 343 Q HA 0.035 4.376 4.340 0.001 0.000 0.208 343 Q C 0.619 176.646 176.000 0.045 0.000 0.958 343 Q CA -0.074 55.752 55.803 0.038 0.000 0.932 343 Q CB -0.533 28.226 28.738 0.036 0.000 1.007 343 Q HN 0.138 nan 8.270 nan 0.000 0.508 344 L N 2.148 123.402 121.223 0.052 0.000 2.615 344 L HA -0.151 4.190 4.340 0.001 0.000 0.284 344 L C 1.095 178.007 176.870 0.071 0.000 1.237 344 L CA 0.988 55.865 54.840 0.062 0.000 0.905 344 L CB 0.500 42.601 42.059 0.069 0.000 1.149 344 L HN -0.049 nan 8.230 nan 0.000 0.499 345 K N 4.225 124.670 120.400 0.075 0.000 2.462 345 K HA 0.273 4.593 4.320 0.001 0.000 0.201 345 K C -0.048 176.626 176.600 0.124 0.000 1.268 345 K CA 0.281 56.621 56.287 0.089 0.000 0.933 345 K CB 0.728 33.268 32.500 0.068 0.000 1.162 345 K HN 0.536 nan 8.250 nan 0.000 0.527 346 R N 0.854 121.423 120.500 0.115 0.000 2.575 346 R HA 0.487 4.828 4.340 0.001 0.000 0.293 346 R C -1.371 175.027 176.300 0.163 0.000 0.983 346 R CA -0.753 55.445 56.100 0.164 0.000 0.887 346 R CB 2.016 32.344 30.300 0.047 0.000 1.184 346 R HN -0.097 nan 8.270 nan 0.000 0.445 347 L N 1.616 122.987 121.223 0.246 0.000 2.464 347 L HA 0.560 4.900 4.340 0.001 0.000 0.266 347 L C -1.348 175.658 176.870 0.227 0.000 0.965 347 L CA -0.371 54.579 54.840 0.183 0.000 0.833 347 L CB 1.997 44.137 42.059 0.135 0.000 1.296 347 L HN 0.617 nan 8.230 nan 0.000 0.405 348 R N 5.726 126.332 120.500 0.177 0.000 2.575 348 R HA 0.661 5.001 4.340 0.001 0.000 0.293 348 R C -1.535 174.831 176.300 0.110 0.000 0.983 348 R CA -0.671 55.537 56.100 0.179 0.000 0.887 348 R CB 1.540 31.975 30.300 0.225 0.000 1.184 348 R HN 0.734 nan 8.270 nan 0.000 0.445 349 I N 3.650 124.283 120.570 0.106 0.000 2.750 349 I HA 0.253 4.424 4.170 0.001 0.000 0.279 349 I C 0.039 176.246 176.117 0.150 0.000 1.206 349 I CA -0.620 60.734 61.300 0.090 0.000 1.101 349 I CB 0.961 39.003 38.000 0.070 0.000 1.431 349 I HN 0.467 nan 8.210 nan 0.000 0.551 350 E N 3.982 124.239 120.200 0.095 0.000 2.398 350 E HA 0.074 4.425 4.350 0.001 0.000 0.263 350 E C 0.386 176.893 176.600 -0.156 0.000 1.046 350 E CA -0.248 56.171 56.400 0.032 0.000 0.908 350 E CB 1.335 31.012 29.700 -0.038 0.000 0.963 350 E HN 0.500 nan 8.360 nan 0.000 0.431 351 R N 1.108 121.285 120.500 -0.539 0.000 2.401 351 R HA 0.339 4.680 4.340 0.001 0.000 0.299 351 R C 0.540 176.687 176.300 -0.254 0.000 1.064 351 R CA -0.069 55.776 56.100 -0.426 0.000 1.000 351 R CB 0.553 30.448 30.300 -0.675 0.000 0.973 351 R HN 0.419 nan 8.270 nan 0.000 0.438 352 G N 2.061 110.776 108.800 -0.140 0.000 2.624 352 G HA2 0.364 4.324 3.960 0.001 0.000 0.217 352 G HA3 0.364 4.324 3.960 0.001 0.000 0.217 352 G C -0.586 174.276 174.900 -0.064 0.000 1.506 352 G CA -0.542 44.507 45.100 -0.085 0.000 1.072 352 G HN 0.856 nan 8.290 nan 0.000 0.568 353 A N 0.258 123.060 122.820 -0.030 0.000 2.655 353 A HA 0.353 4.673 4.320 0.001 0.000 0.297 353 A C 0.080 177.652 177.584 -0.019 0.000 1.461 353 A CA -0.162 51.865 52.037 -0.017 0.000 1.146 353 A CB -0.246 18.756 19.000 0.003 0.000 1.108 353 A HN 0.372 nan 8.150 nan 0.000 0.550 354 D N 2.557 122.942 120.400 -0.026 0.000 3.060 354 D HA 0.147 4.788 4.640 0.001 0.000 0.245 354 D C 0.787 177.082 176.300 -0.009 0.000 1.274 354 D CA 0.426 54.414 54.000 -0.019 0.000 0.864 354 D CB 0.476 41.261 40.800 -0.026 0.000 1.073 354 D HN 0.768 nan 8.370 nan 0.000 0.473 355 E N -0.519 119.679 120.200 -0.004 0.000 2.941 355 E HA 0.073 4.424 4.350 0.001 0.000 0.180 355 E C 0.180 176.781 176.600 0.002 0.000 1.130 355 E CA -0.301 56.099 56.400 0.000 0.000 1.243 355 E CB 0.276 29.978 29.700 0.003 0.000 1.582 355 E HN -0.058 nan 8.360 nan 0.000 0.499 356 Q N 1.952 121.755 119.800 0.005 0.000 2.664 356 Q HA 0.259 4.599 4.340 0.001 0.000 0.223 356 Q C 0.474 176.477 176.000 0.005 0.000 1.298 356 Q CA 0.547 56.353 55.803 0.006 0.000 0.965 356 Q CB 0.150 28.893 28.738 0.009 0.000 1.510 356 Q HN 0.509 nan 8.270 nan 0.000 0.567 357 G N 1.954 110.756 108.800 0.003 0.000 2.598 357 G HA2 -0.302 3.658 3.960 0.001 0.000 0.269 357 G HA3 -0.302 3.658 3.960 0.001 0.000 0.269 357 G C 0.282 175.182 174.900 0.000 0.000 1.289 357 G CA -0.242 44.860 45.100 0.002 0.000 0.926 357 G HN 0.433 nan 8.290 nan 0.000 0.567 358 M N 0.041 119.641 119.600 -0.001 0.000 1.917 358 M HA 0.266 4.747 4.480 0.001 0.000 0.208 358 M C 1.905 178.205 176.300 -0.000 0.000 1.215 358 M CA 0.303 55.600 55.300 -0.004 0.000 0.944 358 M CB -0.495 32.101 32.600 -0.007 0.000 1.225 358 M HN 0.719 nan 8.290 nan 0.000 0.519 359 E N 0.071 120.270 120.200 -0.002 0.000 2.435 359 E HA -0.063 4.288 4.350 0.001 0.000 0.195 359 E C -0.681 175.927 176.600 0.012 0.000 1.029 359 E CA 0.508 56.912 56.400 0.008 0.000 0.865 359 E CB 0.224 29.930 29.700 0.010 0.000 0.833 359 E HN 0.598 nan 8.360 nan 0.000 0.510 360 D N -1.150 119.253 120.400 0.005 0.000 2.946 360 D HA 0.021 4.662 4.640 0.001 0.000 0.337 360 D C 0.035 176.337 176.300 0.004 0.000 1.332 360 D CA -0.633 53.372 54.000 0.008 0.000 0.935 360 D CB 0.005 40.812 40.800 0.013 0.000 1.440 360 D HN -0.239 nan 8.370 nan 0.000 0.540 361 E N -0.887 119.317 120.200 0.006 0.000 2.474 361 E HA 0.143 4.493 4.350 0.001 0.000 0.195 361 E C 0.116 176.718 176.600 0.003 0.000 1.039 361 E CA 0.459 56.861 56.400 0.005 0.000 0.881 361 E CB 0.185 29.890 29.700 0.007 0.000 0.970 361 E HN 0.468 nan 8.360 nan 0.000 0.486 362 E N -1.624 118.575 120.200 -0.000 0.000 2.562 362 E HA 0.173 4.523 4.350 0.001 0.000 0.214 362 E C 0.921 177.510 176.600 -0.018 0.000 0.979 362 E CA 0.210 56.607 56.400 -0.005 0.000 1.002 362 E CB 0.979 30.678 29.700 -0.001 0.000 1.048 362 E HN 0.124 nan 8.360 nan 0.000 0.488 363 G N 1.724 110.511 108.800 -0.021 0.000 3.375 363 G HA2 0.241 4.201 3.960 0.001 0.000 0.247 363 G HA3 0.241 4.201 3.960 0.001 0.000 0.247 363 G C -0.150 174.734 174.900 -0.027 0.000 1.343 363 G CA 0.116 45.194 45.100 -0.037 0.000 1.368 363 G HN -0.090 nan 8.290 nan 0.000 0.549 364 L N 0.046 121.258 121.223 -0.017 0.000 2.354 364 L HA 0.618 4.958 4.340 0.001 0.000 0.269 364 L C 0.006 176.873 176.870 -0.004 0.000 1.005 364 L CA -1.255 53.581 54.840 -0.006 0.000 0.819 364 L CB 2.221 44.280 42.059 0.001 0.000 1.311 364 L HN -0.006 nan 8.230 nan 0.000 0.423 365 V N -0.767 119.151 119.914 0.006 0.000 2.628 365 V HA 1.030 5.151 4.120 0.001 0.000 0.306 365 V C -0.099 176.009 176.094 0.024 0.000 1.045 365 V CA -0.420 61.888 62.300 0.014 0.000 0.905 365 V CB 1.350 33.184 31.823 0.018 0.000 0.997 365 V HN 0.916 nan 8.190 nan 0.000 0.436 366 S N 1.992 117.710 115.700 0.029 0.000 2.688 366 S HA 0.424 4.894 4.470 0.001 0.000 0.275 366 S C 0.489 175.116 174.600 0.045 0.000 1.175 366 S CA -0.344 57.877 58.200 0.034 0.000 0.818 366 S CB 1.685 64.902 63.200 0.027 0.000 1.157 366 S HN 0.688 nan 8.310 nan 0.000 0.482 367 Q N 0.806 120.635 119.800 0.048 0.000 2.224 367 Q HA -0.191 4.149 4.340 0.001 0.000 0.213 367 Q C 1.988 178.019 176.000 0.053 0.000 0.998 367 Q CA 2.348 58.185 55.803 0.056 0.000 0.895 367 Q CB -0.532 28.236 28.738 0.050 0.000 0.926 367 Q HN 0.707 nan 8.270 nan 0.000 0.417 368 R N 0.160 120.686 120.500 0.042 0.000 2.082 368 R HA -0.129 4.211 4.340 0.001 0.000 0.234 368 R C 2.365 178.690 176.300 0.041 0.000 1.136 368 R CA 1.782 57.904 56.100 0.038 0.000 0.935 368 R CB -0.804 29.513 30.300 0.030 0.000 0.842 368 R HN 0.421 nan 8.270 nan 0.000 0.430 369 G N 0.795 109.619 108.800 0.040 0.000 2.404 369 G HA2 -0.217 3.743 3.960 0.001 0.000 0.215 369 G HA3 -0.217 3.743 3.960 0.001 0.000 0.215 369 G C 1.506 176.439 174.900 0.055 0.000 1.174 369 G CA 0.652 45.778 45.100 0.042 0.000 0.780 369 G HN 0.232 nan 8.290 nan 0.000 0.537 370 L N -0.009 121.254 121.223 0.066 0.000 1.963 370 L HA -0.131 4.209 4.340 0.001 0.000 0.220 370 L C 2.729 179.654 176.870 0.091 0.000 1.076 370 L CA 1.476 56.370 54.840 0.090 0.000 0.772 370 L CB -0.330 41.792 42.059 0.106 0.000 0.892 370 L HN 0.244 nan 8.230 nan 0.000 0.435 371 I N -0.801 119.819 120.570 0.083 0.000 2.614 371 I HA -0.245 3.925 4.170 0.001 0.000 0.258 371 I C 2.479 178.636 176.117 0.066 0.000 1.189 371 I CA 1.042 62.396 61.300 0.089 0.000 1.462 371 I CB 0.002 38.052 38.000 0.084 0.000 1.092 371 I HN 0.240 nan 8.210 nan 0.000 0.442 372 A N 0.436 123.284 122.820 0.047 0.000 1.898 372 A HA -0.203 4.118 4.320 0.001 0.000 0.216 372 A C 2.154 179.744 177.584 0.010 0.000 1.181 372 A CA 1.654 53.704 52.037 0.022 0.000 0.620 372 A CB -0.760 18.255 19.000 0.026 0.000 0.819 372 A HN 0.491 nan 8.150 nan 0.000 0.442 373 L N -0.414 120.831 121.223 0.037 0.000 2.072 373 L HA 0.103 4.443 4.340 0.001 0.000 0.205 373 L C 2.591 179.483 176.870 0.036 0.000 1.079 373 L CA 1.961 56.826 54.840 0.041 0.000 0.752 373 L CB -0.718 41.382 42.059 0.068 0.000 0.906 373 L HN 0.304 nan 8.230 nan 0.000 0.436 374 A N -0.960 121.900 122.820 0.067 0.000 2.024 374 A HA -0.257 4.064 4.320 0.001 0.000 0.220 374 A C 2.154 179.725 177.584 -0.020 0.000 1.164 374 A CA 2.026 54.126 52.037 0.105 0.000 0.643 374 A CB -0.479 18.637 19.000 0.193 0.000 0.806 374 A HN 0.710 nan 8.150 nan 0.000 0.451 375 Q N -1.172 118.530 119.800 -0.163 0.000 2.204 375 Q HA 0.044 4.385 4.340 0.001 0.000 0.198 375 Q C 2.281 178.104 176.000 -0.293 0.000 0.946 375 Q CA 0.744 56.261 55.803 -0.477 0.000 0.859 375 Q CB -0.277 28.234 28.738 -0.379 0.000 0.946 375 Q HN 0.625 nan 8.270 nan 0.000 0.474 376 G N 1.109 109.825 108.800 -0.140 0.000 2.464 376 G HA2 -0.172 3.789 3.960 0.001 0.000 0.214 376 G HA3 -0.172 3.789 3.960 0.001 0.000 0.214 376 G C 0.473 175.339 174.900 -0.057 0.000 1.218 376 G CA 0.637 45.684 45.100 -0.089 0.000 0.794 376 G HN 0.406 nan 8.290 nan 0.000 0.542 377 C N 1.162 120.453 119.300 -0.016 0.000 2.146 377 C HA 0.534 4.994 4.460 0.001 0.000 0.338 377 C C 0.960 175.970 174.990 0.033 0.000 1.074 377 C CA -0.765 58.264 59.018 0.017 0.000 1.527 377 C CB -0.239 27.529 27.740 0.046 0.000 1.915 377 C HN 0.516 nan 8.230 nan 0.000 0.453 378 Q N 0.160 119.973 119.800 0.023 0.000 2.320 378 Q HA 0.043 4.384 4.340 0.001 0.000 0.201 378 Q C 1.351 177.389 176.000 0.064 0.000 0.910 378 Q CA 0.438 56.272 55.803 0.052 0.000 0.946 378 Q CB 0.382 29.147 28.738 0.045 0.000 1.062 378 Q HN 0.751 nan 8.270 nan 0.000 0.503 379 E N 0.204 120.440 120.200 0.059 0.000 2.474 379 E HA 0.087 4.438 4.350 0.001 0.000 0.195 379 E C -0.084 176.564 176.600 0.081 0.000 1.039 379 E CA -0.135 56.302 56.400 0.063 0.000 0.881 379 E CB 0.494 30.225 29.700 0.051 0.000 0.970 379 E HN 0.344 nan 8.360 nan 0.000 0.486 380 L N 1.764 123.044 121.223 0.094 0.000 2.578 380 L HA -0.091 4.249 4.340 0.001 0.000 0.279 380 L C 1.169 178.120 176.870 0.136 0.000 1.227 380 L CA 0.913 55.826 54.840 0.122 0.000 0.900 380 L CB 0.270 42.410 42.059 0.136 0.000 1.144 380 L HN 0.141 nan 8.230 nan 0.000 0.496 381 E N 2.386 122.682 120.200 0.160 0.000 2.421 381 E HA 0.039 4.390 4.350 0.001 0.000 0.209 381 E C -0.860 175.891 176.600 0.251 0.000 0.871 381 E CA 0.022 56.526 56.400 0.174 0.000 1.064 381 E CB 0.886 30.672 29.700 0.144 0.000 1.075 381 E HN 0.487 nan 8.360 nan 0.000 0.513 382 Y N 1.250 121.618 120.300 0.112 0.000 2.386 382 Y HA 0.500 5.051 4.550 0.001 0.000 0.334 382 Y C -1.439 174.529 175.900 0.113 0.000 1.002 382 Y CA -0.915 57.256 58.100 0.118 0.000 1.068 382 Y CB 1.351 39.863 38.460 0.087 0.000 1.203 382 Y HN -0.197 nan 8.280 nan 0.000 0.443 383 M N 6.190 125.709 119.600 -0.135 0.000 2.165 383 M HA 0.814 5.294 4.480 0.001 0.000 0.283 383 M C -1.995 174.072 176.300 -0.390 0.000 0.978 383 M CA -0.535 54.711 55.300 -0.090 0.000 0.948 383 M CB 1.359 34.026 32.600 0.112 0.000 1.599 383 M HN 0.864 nan 8.290 nan 0.000 0.450 384 A N 4.727 127.387 122.820 -0.266 0.000 2.359 384 A HA 0.819 5.140 4.320 0.001 0.000 0.303 384 A C -1.708 175.792 177.584 -0.141 0.000 1.066 384 A CA -0.547 51.309 52.037 -0.301 0.000 0.730 384 A CB 1.659 20.532 19.000 -0.211 0.000 1.211 384 A HN 0.596 nan 8.150 nan 0.000 0.439 385 V N 2.621 122.400 119.914 -0.224 0.000 2.668 385 V HA 0.300 4.420 4.120 0.001 0.000 0.304 385 V C -1.587 174.415 176.094 -0.153 0.000 1.071 385 V CA -0.415 61.821 62.300 -0.106 0.000 0.894 385 V CB 1.842 33.611 31.823 -0.091 0.000 1.008 385 V HN 0.812 nan 8.190 nan 0.000 0.425 386 Y N 3.512 123.768 120.300 -0.073 0.000 2.518 386 Y HA 0.521 5.072 4.550 0.001 0.000 0.344 386 Y C 0.282 176.152 175.900 -0.050 0.000 0.982 386 Y CA -0.026 58.032 58.100 -0.069 0.000 1.234 386 Y CB 1.671 40.095 38.460 -0.059 0.000 1.114 386 Y HN 0.455 nan 8.280 nan 0.000 0.515 387 V N 2.506 122.450 119.914 0.051 0.000 2.834 387 V HA 0.283 4.403 4.120 0.001 0.000 0.313 387 V C 0.454 176.571 176.094 0.039 0.000 1.060 387 V CA -0.038 62.284 62.300 0.037 0.000 0.989 387 V CB 2.066 33.898 31.823 0.015 0.000 1.041 387 V HN 0.832 nan 8.190 nan 0.000 0.459 388 S N 2.494 118.212 115.700 0.030 0.000 2.524 388 S HA 0.272 4.742 4.470 0.001 0.000 0.215 388 S C -0.310 174.299 174.600 0.016 0.000 0.986 388 S CA 0.005 58.218 58.200 0.023 0.000 0.911 388 S CB 0.009 63.220 63.200 0.018 0.000 0.805 388 S HN 0.863 nan 8.310 nan 0.000 0.501 389 D N 0.284 120.694 120.400 0.017 0.000 2.625 389 D HA 0.350 4.990 4.640 0.001 0.000 0.203 389 D C -1.550 174.766 176.300 0.027 0.000 1.230 389 D CA -0.510 53.501 54.000 0.017 0.000 0.784 389 D CB 0.581 41.391 40.800 0.017 0.000 1.936 389 D HN 0.019 nan 8.370 nan 0.000 0.522 390 I N 0.093 120.681 120.570 0.030 0.000 3.294 390 I HA 0.880 5.050 4.170 0.001 0.000 0.311 390 I C -0.167 175.981 176.117 0.051 0.000 1.111 390 I CA -0.846 60.484 61.300 0.049 0.000 0.976 390 I CB 1.847 39.885 38.000 0.064 0.000 1.260 390 I HN 0.252 nan 8.210 nan 0.000 0.474 391 T N -0.242 114.351 114.554 0.065 0.000 2.952 391 T HA 0.352 4.702 4.350 0.001 0.000 0.305 391 T C 0.431 175.175 174.700 0.072 0.000 1.064 391 T CA -0.559 61.577 62.100 0.060 0.000 1.008 391 T CB 0.938 69.835 68.868 0.049 0.000 1.078 391 T HN 0.674 nan 8.240 nan 0.000 0.459 392 N N 1.962 120.703 118.700 0.069 0.000 2.133 392 N HA -0.180 4.561 4.740 0.001 0.000 0.193 392 N C 1.538 177.076 175.510 0.046 0.000 1.012 392 N CA 1.545 54.635 53.050 0.067 0.000 0.871 392 N CB 0.066 38.585 38.487 0.054 0.000 1.011 392 N HN 0.766 nan 8.380 nan 0.000 0.435 393 E N 0.945 121.169 120.200 0.040 0.000 2.077 393 E HA -0.155 4.195 4.350 0.001 0.000 0.193 393 E C 2.003 178.626 176.600 0.038 0.000 0.989 393 E CA 1.434 57.851 56.400 0.029 0.000 0.800 393 E CB 0.101 29.819 29.700 0.030 0.000 0.746 393 E HN 0.397 nan 8.360 nan 0.000 0.452 394 S N 0.967 116.701 115.700 0.058 0.000 2.356 394 S HA -0.159 4.312 4.470 0.001 0.000 0.223 394 S C 2.195 176.838 174.600 0.072 0.000 1.032 394 S CA 1.081 59.325 58.200 0.074 0.000 1.005 394 S CB -0.764 62.490 63.200 0.090 0.000 0.867 394 S HN 0.300 nan 8.310 nan 0.000 0.449 395 L N 1.356 122.622 121.223 0.072 0.000 2.079 395 L HA -0.123 4.218 4.340 0.001 0.000 0.210 395 L C 2.888 179.741 176.870 -0.029 0.000 1.081 395 L CA 1.783 56.645 54.840 0.037 0.000 0.752 395 L CB -0.829 41.270 42.059 0.067 0.000 0.896 395 L HN 0.402 nan 8.230 nan 0.000 0.433 396 E N 0.196 120.380 120.200 -0.028 0.000 2.110 396 E HA -0.176 4.175 4.350 0.001 0.000 0.193 396 E C 2.280 178.829 176.600 -0.085 0.000 0.988 396 E CA 1.568 57.925 56.400 -0.071 0.000 0.804 396 E CB -0.044 29.618 29.700 -0.062 0.000 0.745 396 E HN 0.566 nan 8.360 nan 0.000 0.458 397 S N 0.438 116.119 115.700 -0.032 0.000 2.461 397 S HA -0.044 4.427 4.470 0.001 0.000 0.228 397 S C 1.944 176.568 174.600 0.040 0.000 1.005 397 S CA 0.194 58.390 58.200 -0.008 0.000 0.942 397 S CB -0.034 63.235 63.200 0.115 0.000 0.776 397 S HN 0.065 nan 8.310 nan 0.000 0.514 398 I N 2.996 123.579 120.570 0.022 0.000 2.090 398 I HA -0.069 4.101 4.170 0.001 0.000 0.236 398 I C 2.681 178.772 176.117 -0.044 0.000 1.064 398 I CA 1.775 63.082 61.300 0.012 0.000 1.324 398 I CB -1.968 35.990 38.000 -0.070 0.000 1.044 398 I HN 0.478 nan 8.210 nan 0.000 0.399 399 G N -1.005 107.725 108.800 -0.116 0.000 2.916 399 G HA2 -0.121 3.839 3.960 0.001 0.000 0.205 399 G HA3 -0.121 3.839 3.960 0.001 0.000 0.205 399 G C 1.516 176.333 174.900 -0.138 0.000 1.163 399 G CA 0.925 45.943 45.100 -0.137 0.000 0.821 399 G HN 0.355 nan 8.290 nan 0.000 0.515 400 T N -1.772 112.689 114.554 -0.156 0.000 3.038 400 T HA 0.214 4.565 4.350 0.001 0.000 0.244 400 T C 1.566 176.081 174.700 -0.308 0.000 1.016 400 T CA 0.296 62.222 62.100 -0.288 0.000 1.098 400 T CB 0.173 68.779 68.868 -0.436 0.000 0.954 400 T HN 0.373 nan 8.240 nan 0.000 0.469 401 Y N 0.608 120.897 120.300 -0.019 0.000 2.472 401 Y HA 0.370 4.921 4.550 0.001 0.000 0.288 401 Y C 0.258 176.160 175.900 0.003 0.000 1.154 401 Y CA -0.481 57.616 58.100 -0.005 0.000 1.238 401 Y CB 0.420 38.882 38.460 0.004 0.000 1.287 401 Y HN 0.018 nan 8.280 nan 0.000 0.524 402 L N 0.664 121.993 121.223 0.176 0.000 2.358 402 L HA 0.426 4.766 4.340 0.001 0.000 0.274 402 L C 0.440 177.354 176.870 0.072 0.000 1.136 402 L CA -0.291 54.619 54.840 0.117 0.000 0.970 402 L CB 0.357 42.488 42.059 0.120 0.000 1.314 402 L HN -0.168 nan 8.230 nan 0.000 0.427 403 K N 2.126 122.561 120.400 0.059 0.000 2.062 403 K HA -0.024 4.297 4.320 0.001 0.000 0.205 403 K C 0.953 177.577 176.600 0.039 0.000 1.051 403 K CA 1.143 57.448 56.287 0.031 0.000 0.941 403 K CB -0.120 32.394 32.500 0.023 0.000 0.719 403 K HN 0.810 nan 8.250 nan 0.000 0.440 404 N N 0.835 119.568 118.700 0.056 0.000 2.484 404 N HA 0.015 4.756 4.740 0.001 0.000 0.245 404 N C -0.487 175.076 175.510 0.089 0.000 1.184 404 N CA 0.015 53.103 53.050 0.065 0.000 0.884 404 N CB -0.400 38.123 38.487 0.061 0.000 1.182 404 N HN 0.048 nan 8.380 nan 0.000 0.493 405 L N 0.036 121.315 121.223 0.093 0.000 2.418 405 L HA 0.033 4.373 4.340 0.001 0.000 0.274 405 L C 0.437 177.388 176.870 0.136 0.000 1.135 405 L CA -0.276 54.642 54.840 0.130 0.000 0.870 405 L CB 0.545 42.681 42.059 0.128 0.000 1.154 405 L HN 0.406 nan 8.230 nan 0.000 0.462 406 C N 2.166 121.566 119.300 0.165 0.000 2.535 406 C HA 0.175 4.635 4.460 0.001 0.000 0.310 406 C C 0.650 175.771 174.990 0.218 0.000 1.344 406 C CA -0.076 59.045 59.018 0.172 0.000 1.831 406 C CB 0.013 27.852 27.740 0.164 0.000 2.284 406 C HN 0.721 nan 8.230 nan 0.000 0.523 407 D N -0.132 120.404 120.400 0.227 0.000 2.549 407 D HA 0.376 5.016 4.640 0.001 0.000 0.251 407 D C -1.619 174.744 176.300 0.106 0.000 1.153 407 D CA -0.109 54.008 54.000 0.195 0.000 0.861 407 D CB 1.043 41.973 40.800 0.217 0.000 1.207 407 D HN 0.213 nan 8.370 nan 0.000 0.543 408 F N 4.040 124.018 119.950 0.047 0.000 2.507 408 F HA 0.502 5.030 4.527 0.001 0.000 0.328 408 F C -0.886 174.879 175.800 -0.059 0.000 1.136 408 F CA -0.631 57.372 58.000 0.006 0.000 0.930 408 F CB 1.002 40.096 39.000 0.156 0.000 1.166 408 F HN 0.147 nan 8.300 nan 0.000 0.436 409 R N 6.949 126.946 120.500 -0.838 0.000 2.513 409 R HA 0.632 4.973 4.340 0.001 0.000 0.301 409 R C -1.971 173.835 176.300 -0.824 0.000 0.968 409 R CA -1.057 54.649 56.100 -0.657 0.000 0.872 409 R CB 2.389 32.486 30.300 -0.339 0.000 1.177 409 R HN 0.550 nan 8.270 nan 0.000 0.444 410 L N 3.930 124.800 121.223 -0.589 0.000 2.409 410 L HA 0.601 4.942 4.340 0.001 0.000 0.272 410 L C -1.498 175.151 176.870 -0.369 0.000 0.980 410 L CA -0.759 53.828 54.840 -0.422 0.000 0.826 410 L CB 2.185 44.169 42.059 -0.126 0.000 1.268 410 L HN 0.429 nan 8.230 nan 0.000 0.407 411 V N 5.652 125.334 119.914 -0.387 0.000 2.686 411 V HA 0.408 4.528 4.120 0.001 0.000 0.306 411 V C -0.452 175.539 176.094 -0.171 0.000 1.065 411 V CA -0.768 61.336 62.300 -0.327 0.000 0.894 411 V CB 2.192 33.624 31.823 -0.651 0.000 1.004 411 V HN 0.667 nan 8.190 nan 0.000 0.424 412 L N 4.276 125.460 121.223 -0.064 0.000 2.307 412 L HA 0.720 5.061 4.340 0.001 0.000 0.284 412 L C -0.643 176.260 176.870 0.054 0.000 1.023 412 L CA -0.247 54.588 54.840 -0.008 0.000 0.810 412 L CB 0.976 43.013 42.059 -0.036 0.000 1.231 412 L HN 0.295 nan 8.230 nan 0.000 0.423 413 L N 3.339 124.601 121.223 0.064 0.000 2.416 413 L HA 0.177 4.517 4.340 0.001 0.000 0.272 413 L C 0.978 177.869 176.870 0.035 0.000 1.161 413 L CA 0.476 55.356 54.840 0.067 0.000 0.845 413 L CB 0.194 42.288 42.059 0.057 0.000 1.119 413 L HN 0.718 nan 8.230 nan 0.000 0.464 414 D N 1.528 121.948 120.400 0.033 0.000 2.378 414 D HA -0.096 4.544 4.640 0.001 0.000 0.227 414 D C 1.865 178.163 176.300 -0.005 0.000 1.012 414 D CA 0.282 54.282 54.000 -0.001 0.000 0.905 414 D CB 0.157 40.953 40.800 -0.007 0.000 0.895 414 D HN 0.362 nan 8.370 nan 0.000 0.532 415 R N 1.292 121.795 120.500 0.005 0.000 2.094 415 R HA -0.115 4.226 4.340 0.001 0.000 0.239 415 R C 0.507 176.805 176.300 -0.004 0.000 1.137 415 R CA 1.144 57.244 56.100 0.001 0.000 0.943 415 R CB -0.225 30.078 30.300 0.004 0.000 0.850 415 R HN 0.017 nan 8.270 nan 0.000 0.433 416 E N 0.915 121.114 120.200 -0.003 0.000 2.398 416 E HA -0.040 4.310 4.350 0.001 0.000 0.263 416 E C 0.760 177.352 176.600 -0.012 0.000 1.046 416 E CA 0.046 56.443 56.400 -0.005 0.000 0.908 416 E CB 0.792 30.491 29.700 -0.002 0.000 0.963 416 E HN 0.291 nan 8.360 nan 0.000 0.431 417 E N 2.179 122.372 120.200 -0.011 0.000 2.035 417 E HA -0.006 4.344 4.350 0.001 0.000 0.191 417 E C 0.230 176.820 176.600 -0.017 0.000 0.966 417 E CA 0.922 57.313 56.400 -0.016 0.000 0.823 417 E CB 0.072 29.765 29.700 -0.012 0.000 0.791 417 E HN 0.355 nan 8.360 nan 0.000 0.459 418 R N 0.685 121.178 120.500 -0.011 0.000 2.393 418 R HA 0.501 4.842 4.340 0.001 0.000 0.310 418 R C -0.534 175.763 176.300 -0.005 0.000 0.968 418 R CA -0.590 55.505 56.100 -0.009 0.000 0.867 418 R CB 1.150 31.446 30.300 -0.006 0.000 1.124 418 R HN -0.053 nan 8.270 nan 0.000 0.450 419 I N 2.241 122.808 120.570 -0.005 0.000 2.336 419 I HA 0.123 4.293 4.170 0.001 0.000 0.292 419 I C 1.116 177.238 176.117 0.007 0.000 0.991 419 I CA 0.207 61.508 61.300 0.001 0.000 1.227 419 I CB 1.704 39.703 38.000 -0.002 0.000 1.366 419 I HN 0.724 nan 8.210 nan 0.000 0.466 420 T N 3.694 118.256 114.554 0.012 0.000 1.809 420 T HA -0.285 4.065 4.350 0.001 0.000 0.124 420 T C 0.187 174.898 174.700 0.018 0.000 1.995 420 T CA 1.924 64.034 62.100 0.016 0.000 0.991 420 T CB -0.610 68.271 68.868 0.022 0.000 0.854 420 T HN 0.828 nan 8.240 nan 0.000 0.377 421 D N 1.025 121.439 120.400 0.024 0.000 2.198 421 D HA 0.441 5.082 4.640 0.001 0.000 0.245 421 D C 0.541 176.860 176.300 0.033 0.000 1.079 421 D CA -0.691 53.326 54.000 0.028 0.000 0.854 421 D CB 0.840 41.659 40.800 0.032 0.000 1.148 421 D HN 0.111 nan 8.370 nan 0.000 0.456 422 L N 2.458 123.699 121.223 0.030 0.000 2.276 422 L HA 0.352 4.693 4.340 0.001 0.000 0.194 422 L C -1.876 175.023 176.870 0.048 0.000 1.099 422 L CA 0.134 54.991 54.840 0.029 0.000 0.800 422 L CB -1.346 40.720 42.059 0.012 0.000 0.994 422 L HN 0.441 nan 8.230 nan 0.000 0.475 423 P HA 0.056 nan 4.420 nan 0.000 0.262 423 P C 0.192 177.551 177.300 0.099 0.000 1.199 423 P CA 0.843 63.986 63.100 0.070 0.000 0.763 423 P CB 0.245 31.979 31.700 0.057 0.000 0.790 424 L N 2.127 123.435 121.223 0.143 0.000 2.700 424 L HA 0.067 4.407 4.340 0.001 0.000 0.234 424 L C 1.195 178.182 176.870 0.194 0.000 1.156 424 L CA 0.075 55.024 54.840 0.181 0.000 0.946 424 L CB -0.290 41.930 42.059 0.268 0.000 1.216 424 L HN 0.241 nan 8.230 nan 0.000 0.493 425 D N 0.825 121.338 120.400 0.189 0.000 2.170 425 D HA -0.231 4.409 4.640 0.001 0.000 0.193 425 D C 1.530 177.996 176.300 0.277 0.000 1.004 425 D CA 1.475 55.630 54.000 0.259 0.000 0.860 425 D CB -0.121 40.813 40.800 0.224 0.000 0.931 425 D HN 0.360 nan 8.370 nan 0.000 0.448 426 N N -0.034 118.763 118.700 0.162 0.000 2.424 426 N HA 0.005 4.746 4.740 0.001 0.000 0.178 426 N C 1.882 177.379 175.510 -0.022 0.000 1.060 426 N CA 0.764 53.843 53.050 0.048 0.000 0.901 426 N CB 0.147 38.659 38.487 0.041 0.000 0.979 426 N HN 0.233 nan 8.380 nan 0.000 0.451 427 G N 1.309 110.128 108.800 0.031 0.000 2.404 427 G HA2 -0.111 3.849 3.960 0.001 0.000 0.213 427 G HA3 -0.111 3.849 3.960 0.001 0.000 0.213 427 G C 1.679 176.564 174.900 -0.023 0.000 1.189 427 G CA 0.343 45.451 45.100 0.013 0.000 0.796 427 G HN 0.079 nan 8.290 nan 0.000 0.532 428 V N 1.119 121.045 119.914 0.021 0.000 2.277 428 V HA -0.296 3.825 4.120 0.001 0.000 0.253 428 V C 2.821 178.815 176.094 -0.166 0.000 1.067 428 V CA 2.464 64.711 62.300 -0.090 0.000 1.047 428 V CB -0.557 31.219 31.823 -0.078 0.000 0.649 428 V HN 0.399 nan 8.190 nan 0.000 0.447 429 R N 0.493 120.897 120.500 -0.161 0.000 2.080 429 R HA -0.199 4.141 4.340 0.001 0.000 0.236 429 R C 2.549 178.605 176.300 -0.406 0.000 1.137 429 R CA 2.266 58.151 56.100 -0.358 0.000 0.943 429 R CB -0.408 29.528 30.300 -0.607 0.000 0.846 429 R HN 0.714 nan 8.270 nan 0.000 0.431 430 S N 0.744 116.261 115.700 -0.306 0.000 2.428 430 S HA -0.121 4.350 4.470 0.001 0.000 0.230 430 S C 1.965 176.417 174.600 -0.247 0.000 1.014 430 S CA 0.765 58.797 58.200 -0.281 0.000 0.957 430 S CB -0.355 62.718 63.200 -0.211 0.000 0.784 430 S HN 0.316 nan 8.310 nan 0.000 0.499 431 L N 2.127 123.212 121.223 -0.229 0.000 1.976 431 L HA 0.133 4.473 4.340 0.001 0.000 0.209 431 L C 2.144 178.855 176.870 -0.264 0.000 1.071 431 L CA 1.654 56.348 54.840 -0.244 0.000 0.746 431 L CB -1.180 40.719 42.059 -0.267 0.000 0.890 431 L HN 0.353 nan 8.230 nan 0.000 0.432 432 L N -0.913 120.132 121.223 -0.297 0.000 2.265 432 L HA -0.199 4.142 4.340 0.001 0.000 0.215 432 L C 2.420 179.167 176.870 -0.205 0.000 1.117 432 L CA 1.062 55.733 54.840 -0.282 0.000 0.782 432 L CB -0.364 41.521 42.059 -0.289 0.000 0.914 432 L HN 0.343 nan 8.230 nan 0.000 0.441 433 I N -1.075 119.343 120.570 -0.255 0.000 2.703 433 I HA -0.043 4.128 4.170 0.001 0.000 0.259 433 I C 2.450 178.466 176.117 -0.169 0.000 1.151 433 I CA 0.893 62.047 61.300 -0.244 0.000 1.470 433 I CB -0.322 37.435 38.000 -0.405 0.000 1.112 433 I HN 0.176 nan 8.210 nan 0.000 0.437 434 G N 0.104 108.803 108.800 -0.169 0.000 2.408 434 G HA2 -0.120 3.840 3.960 0.001 0.000 0.213 434 G HA3 -0.120 3.840 3.960 0.001 0.000 0.213 434 G C 0.724 175.569 174.900 -0.092 0.000 1.177 434 G CA 0.101 45.125 45.100 -0.128 0.000 0.802 434 G HN 0.395 nan 8.290 nan 0.000 0.533 435 C N 2.563 121.802 119.300 -0.102 0.000 2.365 435 C HA 0.336 4.797 4.460 0.001 0.000 0.412 435 C C 1.538 176.497 174.990 -0.051 0.000 1.023 435 C CA -0.932 58.048 59.018 -0.063 0.000 1.287 435 C CB -1.163 26.534 27.740 -0.071 0.000 1.675 435 C HN 0.592 nan 8.230 nan 0.000 0.520 436 K N 0.626 121.006 120.400 -0.033 0.000 2.404 436 K HA 0.079 4.400 4.320 0.001 0.000 0.194 436 K C 1.169 177.772 176.600 0.004 0.000 1.023 436 K CA 0.328 56.603 56.287 -0.021 0.000 1.094 436 K CB 0.211 32.699 32.500 -0.019 0.000 0.841 436 K HN 0.492 nan 8.250 nan 0.000 0.523 437 K N 0.807 121.217 120.400 0.017 0.000 2.426 437 K HA 0.112 4.433 4.320 0.001 0.000 0.193 437 K C 0.091 176.728 176.600 0.061 0.000 1.028 437 K CA -0.287 56.024 56.287 0.040 0.000 1.047 437 K CB 0.113 32.641 32.500 0.047 0.000 0.821 437 K HN 0.043 nan 8.250 nan 0.000 0.513 438 L N 1.352 122.609 121.223 0.055 0.000 2.540 438 L HA -0.085 4.256 4.340 0.001 0.000 0.276 438 L C 0.980 177.916 176.870 0.110 0.000 1.212 438 L CA 0.987 55.882 54.840 0.093 0.000 0.893 438 L CB 0.387 42.481 42.059 0.057 0.000 1.138 438 L HN 0.033 nan 8.230 nan 0.000 0.491 439 R N 2.748 123.347 120.500 0.165 0.000 2.492 439 R HA 0.303 4.643 4.340 0.001 0.000 0.219 439 R C -0.220 176.241 176.300 0.269 0.000 0.886 439 R CA -0.239 55.969 56.100 0.181 0.000 1.003 439 R CB 0.580 30.976 30.300 0.160 0.000 1.345 439 R HN 0.508 nan 8.270 nan 0.000 0.631 440 R N 0.415 121.119 120.500 0.341 0.000 2.621 440 R HA 0.397 4.737 4.340 0.001 0.000 0.292 440 R C -1.657 174.924 176.300 0.470 0.000 0.969 440 R CA -0.620 55.790 56.100 0.516 0.000 0.887 440 R CB 2.257 32.946 30.300 0.649 0.000 1.180 440 R HN -0.132 nan 8.270 nan 0.000 0.450 441 F N 1.462 121.469 119.950 0.095 0.000 2.588 441 F HA 0.658 5.185 4.527 0.001 0.000 0.318 441 F C -1.639 174.032 175.800 -0.215 0.000 1.155 441 F CA -0.471 57.545 58.000 0.027 0.000 0.967 441 F CB 1.835 40.860 39.000 0.041 0.000 1.236 441 F HN 0.656 nan 8.300 nan 0.000 0.455 442 A N 5.387 127.778 122.820 -0.715 0.000 2.356 442 A HA 0.815 5.135 4.320 0.001 0.000 0.310 442 A C -2.237 175.031 177.584 -0.527 0.000 1.075 442 A CA -0.465 51.206 52.037 -0.610 0.000 0.746 442 A CB 0.938 19.755 19.000 -0.306 0.000 1.221 442 A HN 0.713 nan 8.150 nan 0.000 0.443 443 F N 2.435 122.061 119.950 -0.540 0.000 3.090 443 F HA 0.405 4.933 4.527 0.001 0.000 0.381 443 F C -1.494 174.248 175.800 -0.096 0.000 1.231 443 F CA -0.551 57.255 58.000 -0.323 0.000 1.177 443 F CB 1.061 39.882 39.000 -0.298 0.000 1.598 443 F HN 0.594 nan 8.300 nan 0.000 0.589 444 Y N 6.229 126.321 120.300 -0.347 0.000 2.328 444 Y HA 0.731 5.282 4.550 0.001 0.000 0.336 444 Y C -1.109 174.655 175.900 -0.227 0.000 0.960 444 Y CA -0.512 57.457 58.100 -0.218 0.000 1.134 444 Y CB 0.909 39.255 38.460 -0.191 0.000 1.166 444 Y HN 0.470 nan 8.280 nan 0.000 0.464 445 L N 4.148 125.306 121.223 -0.108 0.000 2.426 445 L HA 0.638 4.979 4.340 0.001 0.000 0.260 445 L C -0.466 176.415 176.870 0.018 0.000 1.233 445 L CA -1.424 53.379 54.840 -0.063 0.000 1.267 445 L CB 1.345 43.319 42.059 -0.140 0.000 1.814 445 L HN 0.455 nan 8.230 nan 0.000 0.561 446 R N -0.587 119.864 120.500 -0.081 0.000 2.875 446 R HA 0.229 4.570 4.340 0.001 0.000 0.251 446 R C 0.611 176.798 176.300 -0.189 0.000 1.123 446 R CA -0.551 55.410 56.100 -0.232 0.000 1.064 446 R CB 1.328 31.526 30.300 -0.170 0.000 1.205 446 R HN 0.427 nan 8.270 nan 0.000 0.503 447 Q N 0.849 120.488 119.800 -0.268 0.000 2.002 447 Q HA -0.076 4.264 4.340 0.001 0.000 0.204 447 Q C 1.383 177.347 176.000 -0.061 0.000 0.988 447 Q CA 2.395 58.117 55.803 -0.135 0.000 0.843 447 Q CB -0.780 27.872 28.738 -0.143 0.000 0.908 447 Q HN 0.893 nan 8.270 nan 0.000 0.420 448 G N -0.508 108.256 108.800 -0.061 0.000 3.094 448 G HA2 0.069 4.030 3.960 0.001 0.000 0.208 448 G HA3 0.069 4.030 3.960 0.001 0.000 0.208 448 G C 1.134 176.031 174.900 -0.005 0.000 1.189 448 G CA 0.534 45.617 45.100 -0.028 0.000 0.856 448 G HN 0.465 nan 8.290 nan 0.000 0.510 449 G N -0.254 108.544 108.800 -0.002 0.000 2.421 449 G HA2 0.210 4.171 3.960 0.001 0.000 0.217 449 G HA3 0.210 4.171 3.960 0.001 0.000 0.217 449 G C 0.247 175.195 174.900 0.081 0.000 1.143 449 G CA 0.435 45.548 45.100 0.023 0.000 0.784 449 G HN 0.414 nan 8.290 nan 0.000 0.541 450 L N 0.376 121.650 121.223 0.086 0.000 2.472 450 L HA 0.533 4.874 4.340 0.001 0.000 0.260 450 L C 0.023 176.938 176.870 0.075 0.000 0.963 450 L CA -0.509 54.404 54.840 0.121 0.000 0.829 450 L CB 2.359 44.537 42.059 0.199 0.000 1.348 450 L HN 0.121 nan 8.230 nan 0.000 0.408 451 T N -1.386 113.203 114.554 0.058 0.000 2.927 451 T HA 0.331 4.682 4.350 0.001 0.000 0.281 451 T C 0.539 175.249 174.700 0.017 0.000 0.998 451 T CA -0.472 61.645 62.100 0.028 0.000 1.019 451 T CB 1.030 69.904 68.868 0.011 0.000 1.061 451 T HN 0.583 nan 8.240 nan 0.000 0.518 452 D N 0.215 120.626 120.400 0.019 0.000 2.228 452 D HA -0.108 4.532 4.640 0.001 0.000 0.203 452 D C 1.819 178.088 176.300 -0.053 0.000 0.988 452 D CA 0.622 54.634 54.000 0.021 0.000 0.864 452 D CB -0.161 40.657 40.800 0.031 0.000 0.928 452 D HN 0.423 nan 8.370 nan 0.000 0.469 453 L N 0.412 121.568 121.223 -0.111 0.000 2.044 453 L HA -0.017 4.323 4.340 0.001 0.000 0.205 453 L C 2.126 178.690 176.870 -0.509 0.000 1.075 453 L CA 1.922 56.595 54.840 -0.278 0.000 0.747 453 L CB -1.017 40.901 42.059 -0.235 0.000 0.903 453 L HN 0.091 nan 8.230 nan 0.000 0.435 454 G N 0.106 108.742 108.800 -0.274 0.000 2.432 454 G HA2 -0.251 3.710 3.960 0.001 0.000 0.219 454 G HA3 -0.251 3.710 3.960 0.001 0.000 0.219 454 G C 1.693 176.599 174.900 0.010 0.000 1.135 454 G CA 0.668 45.702 45.100 -0.110 0.000 0.767 454 G HN 0.387 nan 8.290 nan 0.000 0.550 455 L N 1.330 122.561 121.223 0.013 0.000 2.017 455 L HA -0.116 4.225 4.340 0.001 0.000 0.208 455 L C 3.244 180.190 176.870 0.128 0.000 1.073 455 L CA 1.867 56.750 54.840 0.072 0.000 0.745 455 L CB -0.292 41.804 42.059 0.061 0.000 0.894 455 L HN 0.456 nan 8.230 nan 0.000 0.432 456 S N -1.624 114.096 115.700 0.034 0.000 2.474 456 S HA -0.201 4.270 4.470 0.001 0.000 0.235 456 S C 1.820 176.480 174.600 0.100 0.000 0.997 456 S CA 0.549 58.782 58.200 0.053 0.000 0.949 456 S CB -0.680 62.498 63.200 -0.036 0.000 0.766 456 S HN 0.521 nan 8.310 nan 0.000 0.517 457 Y N 1.396 121.752 120.300 0.093 0.000 2.145 457 Y HA -0.048 4.502 4.550 0.001 0.000 0.286 457 Y C 2.439 178.406 175.900 0.111 0.000 1.145 457 Y CA 1.081 59.263 58.100 0.136 0.000 1.148 457 Y CB -0.309 38.250 38.460 0.165 0.000 0.981 457 Y HN 0.264 nan 8.280 nan 0.000 0.507 458 I N -0.264 120.464 120.570 0.263 0.000 2.127 458 I HA -0.313 3.857 4.170 0.001 0.000 0.241 458 I C 2.716 178.910 176.117 0.128 0.000 1.075 458 I CA 1.583 62.974 61.300 0.152 0.000 1.334 458 I CB -1.034 37.084 38.000 0.197 0.000 1.040 458 I HN 0.268 nan 8.210 nan 0.000 0.405 459 G N -0.317 108.590 108.800 0.179 0.000 2.442 459 G HA2 -0.308 3.652 3.960 0.001 0.000 0.219 459 G HA3 -0.308 3.652 3.960 0.001 0.000 0.219 459 G C 1.607 176.403 174.900 -0.174 0.000 1.141 459 G CA 0.746 45.746 45.100 -0.167 0.000 0.763 459 G HN 0.440 nan 8.290 nan 0.000 0.554 460 Q N -1.116 118.596 119.800 -0.148 0.000 2.137 460 Q HA 0.040 4.381 4.340 0.001 0.000 0.198 460 Q C 1.043 176.760 176.000 -0.471 0.000 0.960 460 Q CA 0.647 56.240 55.803 -0.350 0.000 0.847 460 Q CB 0.069 28.532 28.738 -0.458 0.000 0.915 460 Q HN 0.668 nan 8.270 nan 0.000 0.448 461 Y N -0.323 119.941 120.300 -0.060 0.000 2.681 461 Y HA 0.218 4.769 4.550 0.001 0.000 0.267 461 Y C -0.053 175.765 175.900 -0.137 0.000 1.166 461 Y CA -0.502 57.536 58.100 -0.103 0.000 1.209 461 Y CB 1.153 39.533 38.460 -0.133 0.000 1.161 461 Y HN 0.003 nan 8.280 nan 0.000 0.534 462 S N -0.182 115.494 115.700 -0.040 0.000 2.150 462 S HA 0.286 4.756 4.470 0.001 0.000 0.171 462 S C -2.229 172.338 174.600 -0.055 0.000 1.620 462 S CA -1.283 56.870 58.200 -0.078 0.000 1.190 462 S CB 0.932 64.049 63.200 -0.138 0.000 1.102 462 S HN 0.054 nan 8.310 nan 0.000 0.464 463 P HA 0.106 nan 4.420 nan 0.000 0.230 463 P C 0.354 177.651 177.300 -0.004 0.000 1.168 463 P CA 0.582 63.665 63.100 -0.028 0.000 0.793 463 P CB 0.196 31.884 31.700 -0.019 0.000 0.851 464 N N -0.615 118.090 118.700 0.009 0.000 2.250 464 N HA 0.064 4.804 4.740 0.001 0.000 0.190 464 N C 0.240 175.788 175.510 0.065 0.000 1.116 464 N CA 0.096 53.167 53.050 0.036 0.000 0.881 464 N CB 0.607 39.118 38.487 0.039 0.000 1.006 464 N HN -0.019 nan 8.380 nan 0.000 0.491 465 V N 1.871 121.820 119.914 0.059 0.000 2.529 465 V HA 0.040 4.160 4.120 0.001 0.000 0.292 465 V C 1.369 177.543 176.094 0.134 0.000 1.028 465 V CA 0.509 62.875 62.300 0.110 0.000 1.074 465 V CB 1.112 32.989 31.823 0.089 0.000 0.958 465 V HN 0.115 nan 8.190 nan 0.000 0.481 466 R N 2.561 123.178 120.500 0.195 0.000 2.250 466 R HA 0.159 4.500 4.340 0.001 0.000 0.194 466 R C -0.148 176.340 176.300 0.314 0.000 0.927 466 R CA -0.043 56.186 56.100 0.215 0.000 1.052 466 R CB 0.646 31.061 30.300 0.192 0.000 1.055 466 R HN 0.722 nan 8.270 nan 0.000 0.537 467 W N 1.054 122.444 121.300 0.150 0.000 2.785 467 W HA 0.581 5.242 4.660 0.001 0.000 0.333 467 W C -1.591 175.057 176.519 0.214 0.000 1.062 467 W CA -0.788 56.655 57.345 0.163 0.000 1.233 467 W CB 1.162 30.694 29.460 0.119 0.000 1.413 467 W HN -0.260 nan 8.180 nan 0.000 0.489 468 M N 6.947 126.179 119.600 -0.613 0.000 2.326 468 M HA 0.336 4.816 4.480 0.001 0.000 0.292 468 M C -1.649 174.183 176.300 -0.780 0.000 1.081 468 M CA -1.147 53.752 55.300 -0.668 0.000 0.919 468 M CB 2.026 34.603 32.600 -0.038 0.000 1.634 468 M HN 0.381 nan 8.290 nan 0.000 0.451 469 L N 5.392 126.106 121.223 -0.848 0.000 2.305 469 L HA 0.702 5.043 4.340 0.001 0.000 0.284 469 L C -1.860 174.903 176.870 -0.178 0.000 1.013 469 L CA -0.221 54.419 54.840 -0.333 0.000 0.819 469 L CB 1.107 43.057 42.059 -0.181 0.000 1.227 469 L HN 0.654 nan 8.230 nan 0.000 0.417 470 L N 5.484 126.667 121.223 -0.067 0.000 2.356 470 L HA 0.655 4.996 4.340 0.001 0.000 0.277 470 L C 0.895 177.678 176.870 -0.144 0.000 0.996 470 L CA -0.526 54.282 54.840 -0.054 0.000 0.822 470 L CB 1.710 43.729 42.059 -0.066 0.000 1.256 470 L HN 0.772 nan 8.230 nan 0.000 0.413 471 G N 1.014 109.670 108.800 -0.241 0.000 3.197 471 G HA2 -0.033 3.927 3.960 0.001 0.000 0.167 471 G HA3 -0.033 3.927 3.960 0.001 0.000 0.167 471 G C -0.211 174.311 174.900 -0.629 0.000 1.914 471 G CA 0.152 44.798 45.100 -0.757 0.000 0.956 471 G HN 0.517 nan 8.290 nan 0.000 0.480 472 Y N 0.973 120.991 120.300 -0.470 0.000 2.933 472 Y HA 0.368 4.919 4.550 0.001 0.000 0.380 472 Y C 0.932 176.718 175.900 -0.189 0.000 1.056 472 Y CA -0.798 57.117 58.100 -0.309 0.000 1.704 472 Y CB 0.008 38.305 38.460 -0.272 0.000 1.558 472 Y HN 0.237 nan 8.280 nan 0.000 0.501 473 V N -1.273 118.618 119.914 -0.038 0.000 2.785 473 V HA 0.957 5.077 4.120 0.001 0.000 0.300 473 V C 0.593 176.703 176.094 0.027 0.000 1.062 473 V CA -0.004 62.324 62.300 0.045 0.000 1.029 473 V CB 0.871 32.762 31.823 0.113 0.000 1.024 473 V HN 0.621 nan 8.190 nan 0.000 0.477 474 G N 3.335 112.177 108.800 0.070 0.000 2.710 474 G HA2 -0.099 3.861 3.960 0.001 0.000 0.668 474 G HA3 -0.099 3.861 3.960 0.001 0.000 0.668 474 G C -0.267 174.619 174.900 -0.024 0.000 1.320 474 G CA 0.278 45.431 45.100 0.087 0.000 0.860 474 G HN 1.017 nan 8.290 nan 0.000 0.538 475 E N -0.886 119.317 120.200 0.005 0.000 2.502 475 E HA 0.314 4.665 4.350 0.001 0.000 0.206 475 E C 1.010 177.594 176.600 -0.026 0.000 0.821 475 E CA 0.579 56.961 56.400 -0.030 0.000 1.354 475 E CB 1.039 30.738 29.700 -0.001 0.000 1.336 475 E HN 1.124 nan 8.360 nan 0.000 0.675 476 S N -0.005 115.736 115.700 0.067 0.000 2.671 476 S HA 0.211 4.682 4.470 0.001 0.000 0.277 476 S C -0.501 174.271 174.600 0.286 0.000 1.165 476 S CA -0.678 57.587 58.200 0.109 0.000 0.822 476 S CB 1.379 64.621 63.200 0.069 0.000 1.150 476 S HN -0.161 nan 8.310 nan 0.000 0.479 477 D N 0.926 121.485 120.400 0.265 0.000 2.354 477 D HA -0.024 4.617 4.640 0.001 0.000 0.216 477 D C 1.478 177.847 176.300 0.114 0.000 0.970 477 D CA 0.884 55.034 54.000 0.250 0.000 0.905 477 D CB -0.049 40.842 40.800 0.153 0.000 0.903 477 D HN 0.527 nan 8.370 nan 0.000 0.508 478 E N 0.265 120.529 120.200 0.107 0.000 2.051 478 E HA -0.095 4.256 4.350 0.001 0.000 0.192 478 E C 2.315 178.946 176.600 0.051 0.000 0.991 478 E CA 1.154 57.589 56.400 0.057 0.000 0.799 478 E CB -0.391 29.337 29.700 0.046 0.000 0.748 478 E HN 0.409 nan 8.360 nan 0.000 0.449 479 G N 1.322 110.181 108.800 0.099 0.000 2.422 479 G HA2 -0.213 3.747 3.960 0.001 0.000 0.218 479 G HA3 -0.213 3.747 3.960 0.001 0.000 0.218 479 G C 1.610 176.520 174.900 0.016 0.000 1.140 479 G CA 0.459 45.611 45.100 0.086 0.000 0.775 479 G HN 0.158 nan 8.290 nan 0.000 0.545 480 L N 0.261 121.392 121.223 -0.152 0.000 2.027 480 L HA 0.151 4.492 4.340 0.001 0.000 0.206 480 L C 2.649 179.467 176.870 -0.087 0.000 1.074 480 L CA 1.739 56.340 54.840 -0.399 0.000 0.745 480 L CB -0.342 41.110 42.059 -1.010 0.000 0.898 480 L HN 0.216 nan 8.230 nan 0.000 0.433 481 M N -1.181 118.379 119.600 -0.068 0.000 2.159 481 M HA -0.173 4.308 4.480 0.001 0.000 0.263 481 M C 2.021 178.316 176.300 -0.008 0.000 1.063 481 M CA 1.575 56.857 55.300 -0.031 0.000 1.110 481 M CB -0.269 32.315 32.600 -0.026 0.000 1.374 481 M HN 0.306 nan 8.290 nan 0.000 0.411 482 E N -0.063 120.144 120.200 0.011 0.000 2.077 482 E HA -0.207 4.144 4.350 0.001 0.000 0.193 482 E C 1.730 178.347 176.600 0.029 0.000 0.989 482 E CA 1.290 57.695 56.400 0.008 0.000 0.800 482 E CB -0.719 28.985 29.700 0.007 0.000 0.746 482 E HN 0.604 nan 8.360 nan 0.000 0.452 483 F N 2.138 122.037 119.950 -0.085 0.000 2.126 483 F HA -0.242 4.285 4.527 0.001 0.000 0.299 483 F C 2.489 178.241 175.800 -0.079 0.000 1.096 483 F CA 1.993 59.946 58.000 -0.078 0.000 1.255 483 F CB -0.402 38.547 39.000 -0.085 0.000 0.997 483 F HN 0.008 nan 8.300 nan 0.000 0.479 484 S N 1.402 117.035 115.700 -0.112 0.000 2.447 484 S HA -0.222 4.248 4.470 0.001 0.000 0.233 484 S C 1.954 176.422 174.600 -0.220 0.000 1.006 484 S CA 0.794 58.865 58.200 -0.215 0.000 0.957 484 S CB -0.931 62.229 63.200 -0.066 0.000 0.773 484 S HN 0.718 nan 8.310 nan 0.000 0.507 485 R N 0.843 121.240 120.500 -0.172 0.000 2.323 485 R HA 0.309 4.650 4.340 0.001 0.000 0.198 485 R C 1.187 177.381 176.300 -0.177 0.000 0.988 485 R CA 0.560 56.574 56.100 -0.144 0.000 1.041 485 R CB -0.445 29.795 30.300 -0.100 0.000 0.926 485 R HN 0.413 nan 8.270 nan 0.000 0.476 486 G N 0.277 108.918 108.800 -0.264 0.000 3.194 486 G HA2 0.240 4.201 3.960 0.001 0.000 0.160 486 G HA3 0.240 4.201 3.960 0.001 0.000 0.160 486 G C -0.580 174.143 174.900 -0.294 0.000 1.267 486 G CA -0.127 44.813 45.100 -0.267 0.000 0.962 486 G HN 0.314 nan 8.290 nan 0.000 0.612 487 C N 0.957 120.074 119.300 -0.304 0.000 3.268 487 C HA -0.087 4.373 4.460 0.001 0.000 0.277 487 C C -0.839 174.069 174.990 -0.136 0.000 1.259 487 C CA -0.206 58.667 59.018 -0.241 0.000 2.353 487 C CB -1.881 25.637 27.740 -0.371 0.000 1.482 487 C HN 0.526 nan 8.230 nan 0.000 0.513 488 P HA -0.111 nan 4.420 nan 0.000 0.216 488 P C 0.816 178.103 177.300 -0.020 0.000 1.150 488 P CA 1.707 64.772 63.100 -0.058 0.000 0.837 488 P CB 0.046 31.717 31.700 -0.048 0.000 0.786 489 N N -1.660 117.039 118.700 -0.002 0.000 2.200 489 N HA 0.142 4.882 4.740 0.001 0.000 0.224 489 N C -0.171 175.382 175.510 0.071 0.000 1.179 489 N CA -0.325 52.747 53.050 0.038 0.000 0.877 489 N CB 0.283 38.797 38.487 0.045 0.000 1.072 489 N HN 0.047 nan 8.380 nan 0.000 0.519 490 L N 1.816 123.075 121.223 0.059 0.000 2.477 490 L HA -0.003 4.337 4.340 0.001 0.000 0.272 490 L C 0.853 177.816 176.870 0.155 0.000 1.157 490 L CA 0.737 55.643 54.840 0.110 0.000 0.889 490 L CB 0.843 42.950 42.059 0.081 0.000 1.158 490 L HN 0.322 nan 8.230 nan 0.000 0.473 491 Q N 3.225 123.150 119.800 0.208 0.000 2.387 491 Q HA 0.084 4.425 4.340 0.001 0.000 0.208 491 Q C 0.071 176.267 176.000 0.328 0.000 0.935 491 Q CA 0.449 56.401 55.803 0.249 0.000 0.891 491 Q CB 0.732 29.604 28.738 0.223 0.000 1.007 491 Q HN 0.467 nan 8.270 nan 0.000 0.548 492 K N 0.902 121.516 120.400 0.357 0.000 2.345 492 K HA 0.466 4.787 4.320 0.001 0.000 0.255 492 K C -1.912 174.959 176.600 0.452 0.000 0.934 492 K CA -0.530 56.033 56.287 0.459 0.000 0.801 492 K CB 1.383 34.125 32.500 0.404 0.000 1.137 492 K HN -0.062 nan 8.250 nan 0.000 0.424 493 L N 3.488 124.981 121.223 0.451 0.000 2.404 493 L HA 0.427 4.767 4.340 0.001 0.000 0.272 493 L C -1.601 175.488 176.870 0.364 0.000 0.980 493 L CA 0.012 55.042 54.840 0.317 0.000 0.836 493 L CB 1.854 44.074 42.059 0.267 0.000 1.238 493 L HN 0.707 nan 8.230 nan 0.000 0.408 494 E N 6.280 126.673 120.200 0.321 0.000 2.199 494 E HA 0.679 5.029 4.350 0.001 0.000 0.265 494 E C -1.349 175.396 176.600 0.242 0.000 0.882 494 E CA -0.500 56.170 56.400 0.449 0.000 0.759 494 E CB 1.968 32.017 29.700 0.582 0.000 1.148 494 E HN 0.563 nan 8.360 nan 0.000 0.412 495 M N 2.857 122.552 119.600 0.158 0.000 2.324 495 M HA 0.502 4.982 4.480 0.001 0.000 0.288 495 M C -0.695 175.569 176.300 -0.060 0.000 1.097 495 M CA -0.880 54.434 55.300 0.024 0.000 0.928 495 M CB 2.431 35.023 32.600 -0.014 0.000 1.648 495 M HN 0.385 nan 8.290 nan 0.000 0.460 496 R N 0.956 121.402 120.500 -0.091 0.000 2.795 496 R HA 0.851 5.191 4.340 0.001 0.000 0.275 496 R C 0.039 176.058 176.300 -0.468 0.000 0.981 496 R CA -0.140 55.862 56.100 -0.163 0.000 0.917 496 R CB 2.036 32.363 30.300 0.046 0.000 1.202 496 R HN 1.013 nan 8.270 nan 0.000 0.469 497 G N 1.104 109.626 108.800 -0.464 0.000 2.291 497 G HA2 -0.214 3.746 3.960 0.001 0.000 0.271 497 G HA3 -0.214 3.746 3.960 0.001 0.000 0.271 497 G C -0.486 173.992 174.900 -0.704 0.000 1.099 497 G CA 0.054 44.639 45.100 -0.858 0.000 0.919 497 G HN 0.644 nan 8.290 nan 0.000 0.496 498 C N -0.751 118.344 119.300 -0.341 0.000 2.529 498 C HA 0.645 5.105 4.460 0.001 0.000 0.329 498 C C 1.926 176.728 174.990 -0.314 0.000 1.194 498 C CA -0.071 58.734 59.018 -0.354 0.000 1.779 498 C CB 1.298 28.896 27.740 -0.236 0.000 2.322 498 C HN 1.108 nan 8.230 nan 0.000 0.500 499 C N -0.826 118.142 119.300 -0.553 0.000 2.693 499 C HA 0.430 4.890 4.460 0.001 0.000 0.286 499 C C 0.335 175.153 174.990 -0.288 0.000 1.277 499 C CA -0.612 58.189 59.018 -0.363 0.000 1.705 499 C CB -2.513 25.037 27.740 -0.317 0.000 1.879 499 C HN 0.650 nan 8.230 nan 0.000 0.607 500 F N 2.639 122.596 119.950 0.011 0.000 2.382 500 F HA 0.446 4.974 4.527 0.001 0.000 0.331 500 F C 1.252 177.089 175.800 0.062 0.000 1.121 500 F CA -0.178 57.836 58.000 0.022 0.000 1.183 500 F CB 0.838 39.840 39.000 0.004 0.000 1.207 500 F HN 0.225 nan 8.300 nan 0.000 0.555 501 S N 0.432 116.288 115.700 0.261 0.000 2.713 501 S HA 0.267 4.737 4.470 0.001 0.000 0.283 501 S C 0.745 175.464 174.600 0.199 0.000 1.161 501 S CA -0.759 57.551 58.200 0.182 0.000 0.999 501 S CB 1.454 64.724 63.200 0.117 0.000 1.039 501 S HN 0.743 nan 8.310 nan 0.000 0.548 502 E N 0.883 121.204 120.200 0.201 0.000 2.038 502 E HA -0.202 4.149 4.350 0.001 0.000 0.195 502 E C 2.260 178.920 176.600 0.100 0.000 1.000 502 E CA 1.366 57.879 56.400 0.188 0.000 0.803 502 E CB -0.208 29.604 29.700 0.186 0.000 0.750 502 E HN 0.679 nan 8.360 nan 0.000 0.448 503 R N 1.175 121.721 120.500 0.078 0.000 2.235 503 R HA 0.020 4.360 4.340 0.001 0.000 0.213 503 R C 1.790 178.111 176.300 0.034 0.000 1.059 503 R CA 1.226 57.354 56.100 0.047 0.000 0.997 503 R CB -0.251 30.071 30.300 0.037 0.000 0.884 503 R HN 0.104 nan 8.270 nan 0.000 0.462 504 A N 2.093 124.944 122.820 0.052 0.000 1.872 504 A HA 0.008 4.329 4.320 0.001 0.000 0.214 504 A C 2.312 179.887 177.584 -0.015 0.000 1.187 504 A CA 1.008 53.062 52.037 0.029 0.000 0.614 504 A CB -0.223 18.825 19.000 0.080 0.000 0.826 504 A HN 0.209 nan 8.150 nan 0.000 0.442 505 I N 0.162 120.735 120.570 0.005 0.000 2.113 505 I HA -0.259 3.911 4.170 0.001 0.000 0.238 505 I C 3.037 179.142 176.117 -0.019 0.000 1.070 505 I CA 1.578 62.863 61.300 -0.025 0.000 1.332 505 I CB -1.714 36.272 38.000 -0.023 0.000 1.044 505 I HN 0.359 nan 8.210 nan 0.000 0.402 506 A N 1.088 123.907 122.820 -0.002 0.000 1.940 506 A HA -0.251 4.070 4.320 0.001 0.000 0.221 506 A C 2.508 180.072 177.584 -0.033 0.000 1.190 506 A CA 2.754 54.788 52.037 -0.006 0.000 0.647 506 A CB -0.914 18.092 19.000 0.010 0.000 0.821 506 A HN 0.505 nan 8.150 nan 0.000 0.457 507 A N -0.906 121.897 122.820 -0.028 0.000 1.968 507 A HA 0.330 4.650 4.320 0.001 0.000 0.217 507 A C 2.412 179.965 177.584 -0.052 0.000 1.169 507 A CA 1.658 53.672 52.037 -0.038 0.000 0.638 507 A CB -0.747 18.238 19.000 -0.026 0.000 0.812 507 A HN 1.066 nan 8.150 nan 0.000 0.446 508 A N -0.608 122.182 122.820 -0.051 0.000 1.968 508 A HA 0.101 4.421 4.320 0.001 0.000 0.217 508 A C 2.120 179.672 177.584 -0.053 0.000 1.169 508 A CA 1.417 53.424 52.037 -0.049 0.000 0.638 508 A CB -0.680 18.292 19.000 -0.047 0.000 0.812 508 A HN 0.305 nan 8.150 nan 0.000 0.446 509 V N 0.397 120.274 119.914 -0.062 0.000 2.407 509 V HA -0.219 3.901 4.120 0.001 0.000 0.248 509 V C 2.712 178.703 176.094 -0.172 0.000 1.055 509 V CA 2.438 64.675 62.300 -0.105 0.000 1.049 509 V CB -1.081 30.665 31.823 -0.128 0.000 0.662 509 V HN 0.684 nan 8.190 nan 0.000 0.455 510 T N -1.047 113.416 114.554 -0.152 0.000 2.904 510 T HA -0.143 4.208 4.350 0.001 0.000 0.267 510 T C 1.803 176.440 174.700 -0.105 0.000 1.059 510 T CA 0.927 62.938 62.100 -0.148 0.000 1.137 510 T CB -0.138 68.661 68.868 -0.115 0.000 0.879 510 T HN 0.431 nan 8.240 nan 0.000 0.467 511 K N 0.323 120.670 120.400 -0.089 0.000 2.365 511 K HA 0.199 4.520 4.320 0.001 0.000 0.197 511 K C 0.292 176.839 176.600 -0.087 0.000 1.042 511 K CA 0.166 56.405 56.287 -0.080 0.000 0.987 511 K CB -0.060 32.394 32.500 -0.077 0.000 0.779 511 K HN 0.334 nan 8.250 nan 0.000 0.484 512 L N 2.995 124.165 121.223 -0.088 0.000 2.315 512 L HA 0.083 4.423 4.340 0.001 0.000 0.283 512 L C -1.297 175.545 176.870 -0.047 0.000 1.089 512 L CA -1.405 53.388 54.840 -0.079 0.000 0.833 512 L CB 0.936 42.962 42.059 -0.055 0.000 1.170 512 L HN -0.021 nan 8.230 nan 0.000 0.442 513 P HA -0.063 nan 4.420 nan 0.000 0.219 513 P C 0.925 178.241 177.300 0.027 0.000 1.150 513 P CA 0.861 63.953 63.100 -0.015 0.000 0.814 513 P CB 0.554 32.238 31.700 -0.026 0.000 0.787 514 S N -1.236 114.493 115.700 0.048 0.000 2.526 514 S HA 0.150 4.621 4.470 0.001 0.000 0.220 514 S C 0.633 175.335 174.600 0.169 0.000 1.017 514 S CA -0.471 57.788 58.200 0.097 0.000 0.930 514 S CB -0.321 62.929 63.200 0.083 0.000 0.856 514 S HN -0.006 nan 8.310 nan 0.000 0.497 515 L N 3.836 125.155 121.223 0.160 0.000 2.628 515 L HA 0.040 4.381 4.340 0.001 0.000 0.274 515 L C 1.031 178.130 176.870 0.382 0.000 1.209 515 L CA 0.764 55.747 54.840 0.238 0.000 0.930 515 L CB 0.410 42.563 42.059 0.158 0.000 1.183 515 L HN 0.248 nan 8.230 nan 0.000 0.492 516 R N 3.093 123.892 120.500 0.500 0.000 2.531 516 R HA 0.237 4.578 4.340 0.001 0.000 0.316 516 R C -0.772 175.924 176.300 0.660 0.000 0.955 516 R CA -0.494 56.021 56.100 0.692 0.000 1.120 516 R CB 0.139 30.794 30.300 0.592 0.000 1.361 516 R HN 0.474 nan 8.270 nan 0.000 0.534 517 Y N 0.534 121.088 120.300 0.423 0.000 2.442 517 Y HA 0.552 5.102 4.550 0.001 0.000 0.330 517 Y C -2.256 173.840 175.900 0.326 0.000 1.100 517 Y CA -1.477 56.819 58.100 0.325 0.000 1.034 517 Y CB 2.154 40.782 38.460 0.280 0.000 1.285 517 Y HN 0.039 nan 8.280 nan 0.000 0.440 518 L N 7.463 128.704 121.223 0.029 0.000 2.505 518 L HA 0.552 4.892 4.340 0.001 0.000 0.266 518 L C -2.242 174.639 176.870 0.017 0.000 0.954 518 L CA -0.497 54.432 54.840 0.150 0.000 0.852 518 L CB 1.490 43.664 42.059 0.193 0.000 1.282 518 L HN 0.716 nan 8.230 nan 0.000 0.403 519 W N 7.435 128.729 121.300 -0.009 0.000 2.785 519 W HA 0.833 5.493 4.660 0.001 0.000 0.333 519 W C -2.281 174.224 176.519 -0.024 0.000 1.062 519 W CA -0.896 56.422 57.345 -0.045 0.000 1.233 519 W CB 1.794 31.261 29.460 0.012 0.000 1.413 519 W HN 0.385 nan 8.180 nan 0.000 0.489 520 V N 5.016 124.269 119.914 -1.103 0.000 2.777 520 V HA 0.280 4.401 4.120 0.001 0.000 0.306 520 V C -0.772 174.670 176.094 -1.086 0.000 1.112 520 V CA -0.689 61.039 62.300 -0.953 0.000 0.917 520 V CB 1.776 33.288 31.823 -0.518 0.000 1.018 520 V HN 0.625 nan 8.190 nan 0.000 0.426 521 Q N 2.211 121.552 119.800 -0.764 0.000 2.330 521 Q HA 0.641 4.982 4.340 0.001 0.000 0.269 521 Q C -0.011 175.970 176.000 -0.032 0.000 1.022 521 Q CA 0.134 55.756 55.803 -0.302 0.000 0.796 521 Q CB 1.996 30.620 28.738 -0.189 0.000 1.271 521 Q HN 1.441 nan 8.270 nan 0.000 0.450 522 G N 3.323 112.233 108.800 0.183 0.000 3.405 522 G HA2 -0.146 3.814 3.960 0.001 0.000 0.676 522 G HA3 -0.146 3.814 3.960 0.001 0.000 0.676 522 G C -1.459 173.584 174.900 0.238 0.000 1.039 522 G CA -0.061 45.123 45.100 0.140 0.000 0.855 522 G HN 0.837 nan 8.290 nan 0.000 0.443 523 Y N -1.285 118.983 120.300 -0.055 0.000 2.620 523 Y HA 0.711 5.261 4.550 0.001 0.000 0.331 523 Y C -0.253 175.637 175.900 -0.016 0.000 1.173 523 Y CA -2.140 55.941 58.100 -0.031 0.000 1.076 523 Y CB 0.728 39.179 38.460 -0.015 0.000 1.336 523 Y HN 0.566 nan 8.280 nan 0.000 0.459 524 R N 2.263 122.749 120.500 -0.024 0.000 2.413 524 R HA 0.556 4.896 4.340 0.001 0.000 0.333 524 R C 0.382 176.605 176.300 -0.128 0.000 1.074 524 R CA 0.456 56.501 56.100 -0.092 0.000 0.982 524 R CB 0.179 30.476 30.300 -0.005 0.000 0.981 524 R HN 0.839 nan 8.270 nan 0.000 0.452 525 A N 2.451 125.083 122.820 -0.313 0.000 2.372 525 A HA 0.516 4.837 4.320 0.001 0.000 0.271 525 A C -0.052 177.489 177.584 -0.072 0.000 1.470 525 A CA -0.190 51.704 52.037 -0.238 0.000 0.827 525 A CB 0.543 19.328 19.000 -0.359 0.000 1.405 525 A HN 0.688 nan 8.150 nan 0.000 0.536 526 S N -3.204 112.476 115.700 -0.034 0.000 2.556 526 S HA 0.357 4.827 4.470 0.001 0.000 0.280 526 S C 0.085 174.682 174.600 -0.004 0.000 1.141 526 S CA 0.018 58.210 58.200 -0.013 0.000 0.883 526 S CB 0.831 64.037 63.200 0.010 0.000 1.103 526 S HN 0.692 nan 8.310 nan 0.000 0.453 527 M N 2.569 122.164 119.600 -0.008 0.000 2.195 527 M HA -0.066 4.414 4.480 0.001 0.000 0.260 527 M C 1.945 178.249 176.300 0.008 0.000 1.066 527 M CA 2.558 57.856 55.300 -0.003 0.000 1.089 527 M CB -1.289 31.308 32.600 -0.005 0.000 1.377 527 M HN 0.960 nan 8.290 nan 0.000 0.411 528 T N -0.873 113.687 114.554 0.011 0.000 2.580 528 T HA -0.053 4.297 4.350 0.001 0.000 0.265 528 T C 1.754 176.469 174.700 0.025 0.000 1.063 528 T CA 1.883 63.993 62.100 0.016 0.000 1.170 528 T CB -1.258 67.620 68.868 0.018 0.000 0.863 528 T HN 0.659 nan 8.240 nan 0.000 0.418 529 G N 0.263 109.084 108.800 0.036 0.000 2.225 529 G HA2 -0.277 3.684 3.960 0.001 0.000 0.254 529 G HA3 -0.277 3.684 3.960 0.001 0.000 0.254 529 G C 0.852 175.782 174.900 0.050 0.000 0.988 529 G CA 0.421 45.553 45.100 0.053 0.000 0.625 529 G HN 0.472 nan 8.290 nan 0.000 0.527 530 Q N 0.424 120.247 119.800 0.038 0.000 2.482 530 Q HA 0.094 4.435 4.340 0.001 0.000 0.209 530 Q C 1.579 177.600 176.000 0.035 0.000 0.961 530 Q CA 1.342 57.164 55.803 0.032 0.000 0.945 530 Q CB -0.031 28.720 28.738 0.023 0.000 1.012 530 Q HN 0.700 nan 8.270 nan 0.000 0.515 531 D N 0.191 120.619 120.400 0.045 0.000 2.137 531 D HA -0.059 4.581 4.640 0.001 0.000 0.202 531 D C 1.773 178.102 176.300 0.049 0.000 0.970 531 D CA 0.473 54.501 54.000 0.047 0.000 0.837 531 D CB 0.017 40.853 40.800 0.059 0.000 0.981 531 D HN 0.132 nan 8.370 nan 0.000 0.475 532 L N 0.196 121.455 121.223 0.060 0.000 2.127 532 L HA -0.163 4.177 4.340 0.001 0.000 0.211 532 L C 2.045 178.945 176.870 0.049 0.000 1.089 532 L CA 0.576 55.448 54.840 0.053 0.000 0.757 532 L CB -0.245 41.845 42.059 0.053 0.000 0.899 532 L HN 0.144 nan 8.230 nan 0.000 0.434 533 M N -0.206 119.420 119.600 0.043 0.000 2.260 533 M HA -0.247 4.233 4.480 0.001 0.000 0.261 533 M C 1.964 178.283 176.300 0.032 0.000 1.066 533 M CA 1.496 56.819 55.300 0.039 0.000 1.082 533 M CB -1.004 31.614 32.600 0.030 0.000 1.388 533 M HN 0.455 nan 8.290 nan 0.000 0.419 534 Q N 0.388 120.202 119.800 0.022 0.000 2.362 534 Q HA -0.024 4.317 4.340 0.001 0.000 0.215 534 Q C 0.979 176.974 176.000 -0.010 0.000 0.944 534 Q CA 0.371 56.178 55.803 0.007 0.000 0.964 534 Q CB -0.589 28.151 28.738 0.004 0.000 0.998 534 Q HN 0.730 nan 8.270 nan 0.000 0.488 535 M N -3.315 116.285 119.600 -0.000 0.000 2.410 535 M HA 0.519 4.999 4.480 0.001 0.000 0.376 535 M C -0.032 176.248 176.300 -0.032 0.000 1.051 535 M CA -0.447 54.822 55.300 -0.051 0.000 0.949 535 M CB 0.953 33.523 32.600 -0.049 0.000 1.577 535 M HN 0.062 nan 8.290 nan 0.000 0.560 536 A N 2.367 125.210 122.820 0.038 0.000 2.770 536 A HA 0.423 4.744 4.320 0.001 0.000 0.292 536 A C 0.060 177.677 177.584 0.055 0.000 1.604 536 A CA -0.230 51.861 52.037 0.090 0.000 1.271 536 A CB -0.421 18.618 19.000 0.066 0.000 1.075 536 A HN 0.655 nan 8.150 nan 0.000 0.573 537 R N 1.795 122.325 120.500 0.050 0.000 2.574 537 R HA 0.479 4.820 4.340 0.001 0.000 0.266 537 R C -2.450 173.947 176.300 0.162 0.000 1.157 537 R CA -1.333 54.817 56.100 0.082 0.000 1.187 537 R CB -0.236 30.106 30.300 0.071 0.000 1.179 537 R HN 0.373 nan 8.270 nan 0.000 0.600 538 P HA 0.199 nan 4.420 nan 0.000 0.284 538 P C -1.045 176.428 177.300 0.288 0.000 1.258 538 P CA -0.362 62.780 63.100 0.071 0.000 0.824 538 P CB 0.352 32.022 31.700 -0.050 0.000 1.038 539 Y N -2.887 117.564 120.300 0.251 0.000 4.929 539 Y HA -0.198 4.352 4.550 0.001 0.000 0.253 539 Y C -0.042 176.118 175.900 0.433 0.000 0.946 539 Y CA 0.433 58.728 58.100 0.326 0.000 1.905 539 Y CB -1.653 37.017 38.460 0.351 0.000 1.400 539 Y HN 0.496 nan 8.280 nan 0.000 0.531 540 W N 3.574 124.967 121.300 0.155 0.000 2.282 540 W HA 0.433 5.093 4.660 0.001 0.000 0.322 540 W C -0.668 175.742 176.519 -0.181 0.000 1.011 540 W CA -0.734 56.539 57.345 -0.120 0.000 1.392 540 W CB 0.595 29.931 29.460 -0.206 0.000 1.215 540 W HN -0.098 nan 8.180 nan 0.000 0.394 541 N N 5.324 123.624 118.700 -0.665 0.000 2.472 541 N HA 0.276 5.016 4.740 0.001 0.000 0.277 541 N C -0.419 174.579 175.510 -0.853 0.000 1.081 541 N CA -0.180 52.455 53.050 -0.692 0.000 0.973 541 N CB 1.511 39.473 38.487 -0.875 0.000 1.105 541 N HN 0.435 nan 8.380 nan 0.000 0.470 542 I N -1.769 118.527 120.570 -0.456 0.000 2.530 542 I HA 0.621 4.792 4.170 0.001 0.000 0.297 542 I C -0.523 175.509 176.117 -0.142 0.000 1.011 542 I CA -0.403 60.706 61.300 -0.319 0.000 1.107 542 I CB 1.853 39.750 38.000 -0.171 0.000 1.285 542 I HN 0.364 nan 8.210 nan 0.000 0.436 543 E N 5.541 125.709 120.200 -0.053 0.000 2.367 543 E HA 0.704 5.054 4.350 0.001 0.000 0.273 543 E C -1.592 175.053 176.600 0.074 0.000 0.903 543 E CA -0.862 55.567 56.400 0.049 0.000 0.764 543 E CB 2.769 32.568 29.700 0.166 0.000 1.252 543 E HN 0.579 nan 8.360 nan 0.000 0.446 544 L N 2.734 124.010 121.223 0.090 0.000 2.362 544 L HA 0.648 4.989 4.340 0.001 0.000 0.271 544 L C -0.528 176.411 176.870 0.115 0.000 1.002 544 L CA -0.617 54.279 54.840 0.093 0.000 0.818 544 L CB 1.361 43.464 42.059 0.073 0.000 1.298 544 L HN 0.381 nan 8.230 nan 0.000 0.420 545 I N 0.698 121.327 120.570 0.099 0.000 3.239 545 I HA 0.552 4.722 4.170 0.001 0.000 0.314 545 I C -2.286 173.772 176.117 -0.098 0.000 1.126 545 I CA -1.708 59.624 61.300 0.053 0.000 0.973 545 I CB 2.261 40.346 38.000 0.142 0.000 1.252 545 I HN 0.391 nan 8.210 nan 0.000 0.463 546 P HA 0.257 nan 4.420 nan 0.000 0.184 546 P C -0.739 176.401 177.300 -0.267 0.000 1.074 546 P CA -0.114 62.896 63.100 -0.150 0.000 0.790 546 P CB 0.683 32.364 31.700 -0.032 0.000 0.843 547 S N -1.749 113.859 115.700 -0.154 0.000 2.754 547 S HA 0.431 4.901 4.470 0.001 0.000 0.302 547 S C -1.431 173.027 174.600 -0.238 0.000 0.922 547 S CA -0.750 57.311 58.200 -0.232 0.000 0.822 547 S CB 0.114 63.028 63.200 -0.477 0.000 1.020 547 S HN 0.037 nan 8.310 nan 0.000 0.475 548 R N 1.599 122.004 120.500 -0.159 0.000 3.270 548 R HA 0.679 5.019 4.340 0.001 0.000 0.252 548 R C -0.363 175.899 176.300 -0.063 0.000 1.331 548 R CA -0.752 55.295 56.100 -0.087 0.000 1.028 548 R CB 0.456 30.748 30.300 -0.013 0.000 1.450 548 R HN 0.930 nan 8.270 nan 0.000 0.471 564 H N 2.415 121.515 119.070 0.050 0.000 2.685 564 H HA 0.361 4.918 4.556 0.001 0.000 0.307 564 H C -2.295 173.056 175.328 0.039 0.000 1.017 564 H CA -1.638 54.452 56.048 0.071 0.000 1.237 564 H CB 1.267 31.071 29.762 0.070 0.000 1.409 564 H HN 0.322 nan 8.280 nan 0.000 0.488 565 P HA 0.053 nan 4.420 nan 0.000 0.269 565 P C -0.458 176.904 177.300 0.104 0.000 1.217 565 P CA -0.406 62.761 63.100 0.111 0.000 0.783 565 P CB 0.659 32.434 31.700 0.124 0.000 0.898 566 A N 2.053 124.928 122.820 0.091 0.000 2.524 566 A HA 0.095 4.416 4.320 0.001 0.000 0.250 566 A C -0.045 177.670 177.584 0.219 0.000 1.078 566 A CA 0.142 52.242 52.037 0.105 0.000 0.761 566 A CB -0.762 18.329 19.000 0.152 0.000 1.012 566 A HN 0.621 nan 8.150 nan 0.000 0.500 567 H N 0.741 119.826 119.070 0.025 0.000 2.482 567 H HA 0.523 5.079 4.556 0.001 0.000 0.344 567 H C -0.562 174.652 175.328 -0.191 0.000 1.151 567 H CA -0.608 55.311 56.048 -0.216 0.000 1.300 567 H CB 1.307 30.990 29.762 -0.132 0.000 1.494 567 H HN 0.558 nan 8.280 nan 0.000 0.542 568 I N 2.984 123.398 120.570 -0.260 0.000 2.406 568 I HA 0.146 4.317 4.170 0.001 0.000 0.290 568 I C -1.142 174.895 176.117 -0.134 0.000 0.999 568 I CA -0.625 60.549 61.300 -0.210 0.000 1.124 568 I CB 1.704 39.477 38.000 -0.377 0.000 1.289 568 I HN 0.197 nan 8.210 nan 0.000 0.441 569 L N 7.048 128.268 121.223 -0.005 0.000 2.362 569 L HA 0.920 5.260 4.340 0.001 0.000 0.275 569 L C -0.865 175.957 176.870 -0.080 0.000 0.998 569 L CA -0.093 54.760 54.840 0.023 0.000 0.820 569 L CB 1.649 43.816 42.059 0.179 0.000 1.270 569 L HN 0.690 nan 8.230 nan 0.000 0.415 570 A N 4.201 126.883 122.820 -0.230 0.000 2.486 570 A HA 0.834 5.155 4.320 0.001 0.000 0.300 570 A C -1.930 175.213 177.584 -0.735 0.000 1.048 570 A CA -0.382 51.291 52.037 -0.607 0.000 0.696 570 A CB 1.210 19.807 19.000 -0.672 0.000 1.278 570 A HN 0.893 nan 8.150 nan 0.000 0.405 571 Y N -1.446 118.237 120.300 -1.029 0.000 2.581 571 Y HA 0.693 5.243 4.550 0.001 0.000 0.337 571 Y C -1.279 174.352 175.900 -0.449 0.000 1.108 571 Y CA -1.486 56.272 58.100 -0.570 0.000 1.033 571 Y CB 0.766 39.168 38.460 -0.098 0.000 1.318 571 Y HN 0.580 nan 8.280 nan 0.000 0.459 572 Y N 1.612 122.028 120.300 0.194 0.000 2.319 572 Y HA 0.481 5.031 4.550 0.001 0.000 0.328 572 Y C 0.537 176.636 175.900 0.332 0.000 1.133 572 Y CA 0.311 58.613 58.100 0.335 0.000 1.265 572 Y CB 1.534 40.253 38.460 0.432 0.000 1.218 572 Y HN 0.729 nan 8.280 nan 0.000 0.508 573 S N 4.138 120.136 115.700 0.497 0.000 2.572 573 S HA 0.367 4.838 4.470 0.001 0.000 0.274 573 S C -0.650 174.188 174.600 0.397 0.000 1.150 573 S CA -0.815 57.640 58.200 0.426 0.000 0.944 573 S CB 0.584 64.049 63.200 0.442 0.000 1.071 573 S HN 0.723 nan 8.310 nan 0.000 0.479 574 L N 3.742 125.142 121.223 0.294 0.000 2.779 574 L HA 0.424 4.764 4.340 0.001 0.000 0.239 574 L C 1.469 178.493 176.870 0.258 0.000 1.245 574 L CA 0.218 55.216 54.840 0.263 0.000 1.064 574 L CB -0.455 41.671 42.059 0.112 0.000 1.350 574 L HN 0.763 nan 8.230 nan 0.000 0.455 575 A N -0.870 122.109 122.820 0.265 0.000 2.066 575 A HA 0.664 4.984 4.320 0.001 0.000 0.198 575 A C 1.125 178.808 177.584 0.164 0.000 1.405 575 A CA 0.496 52.654 52.037 0.202 0.000 0.973 575 A CB 0.376 19.511 19.000 0.226 0.000 1.026 575 A HN 0.444 nan 8.150 nan 0.000 0.474 576 G N -0.597 108.306 108.800 0.171 0.000 2.548 576 G HA2 -0.078 3.883 3.960 0.001 0.000 0.208 576 G HA3 -0.078 3.883 3.960 0.001 0.000 0.208 576 G C -0.656 174.296 174.900 0.086 0.000 1.308 576 G CA -0.287 44.872 45.100 0.099 0.000 0.924 576 G HN 0.556 nan 8.290 nan 0.000 0.540 577 Q N 0.481 120.302 119.800 0.035 0.000 2.261 577 Q HA 0.515 4.856 4.340 0.001 0.000 0.252 577 Q C 0.716 176.720 176.000 0.007 0.000 0.915 577 Q CA -0.487 55.321 55.803 0.008 0.000 0.915 577 Q CB 0.778 29.499 28.738 -0.027 0.000 1.204 577 Q HN 0.568 nan 8.270 nan 0.000 0.421 578 R N 0.988 121.468 120.500 -0.033 0.000 2.679 578 R HA 0.029 4.370 4.340 0.001 0.000 0.268 578 R C 0.681 176.939 176.300 -0.070 0.000 1.044 578 R CA 0.202 56.254 56.100 -0.080 0.000 1.105 578 R CB -0.016 30.051 30.300 -0.389 0.000 0.989 578 R HN 0.587 nan 8.270 nan 0.000 0.447 579 T N 0.398 114.937 114.554 -0.025 0.000 3.014 579 T HA -0.089 4.261 4.350 0.001 0.000 0.263 579 T C 0.612 175.290 174.700 -0.037 0.000 1.078 579 T CA 1.189 63.274 62.100 -0.025 0.000 1.135 579 T CB -0.124 68.740 68.868 -0.006 0.000 0.895 579 T HN 0.743 nan 8.240 nan 0.000 0.480 580 D N 0.306 120.685 120.400 -0.035 0.000 2.370 580 D HA 0.093 4.734 4.640 0.001 0.000 0.230 580 D C -0.123 176.147 176.300 -0.051 0.000 1.143 580 D CA -0.532 53.471 54.000 0.006 0.000 0.834 580 D CB -1.424 39.482 40.800 0.177 0.000 0.944 580 D HN 0.206 nan 8.370 nan 0.000 0.504 581 C N 2.074 121.300 119.300 -0.124 0.000 2.634 581 C HA 0.175 4.636 4.460 0.001 0.000 0.418 581 C C -1.405 173.551 174.990 -0.056 0.000 1.373 581 C CA -0.887 58.044 59.018 -0.145 0.000 1.756 581 C CB -0.322 27.346 27.740 -0.120 0.000 2.589 581 C HN 0.352 nan 8.230 nan 0.000 0.602 582 P HA 0.118 nan 4.420 nan 0.000 0.278 582 P C 0.932 178.241 177.300 0.015 0.000 1.270 582 P CA 0.101 63.212 63.100 0.018 0.000 0.800 582 P CB 0.308 32.038 31.700 0.051 0.000 1.142 583 T N -1.396 113.173 114.554 0.025 0.000 2.896 583 T HA -0.093 4.257 4.350 0.001 0.000 0.263 583 T C 1.534 176.252 174.700 0.030 0.000 1.050 583 T CA 1.814 63.927 62.100 0.021 0.000 1.140 583 T CB -1.013 67.867 68.868 0.020 0.000 0.877 583 T HN 0.651 nan 8.240 nan 0.000 0.457 584 T N 0.326 114.905 114.554 0.043 0.000 3.139 584 T HA 0.074 4.425 4.350 0.001 0.000 0.267 584 T C 0.391 175.132 174.700 0.069 0.000 1.164 584 T CA 0.113 62.245 62.100 0.053 0.000 1.075 584 T CB -0.561 68.344 68.868 0.062 0.000 0.904 584 T HN 0.078 nan 8.240 nan 0.000 0.540 585 V N 0.859 120.812 119.914 0.065 0.000 2.588 585 V HA 0.547 4.667 4.120 0.001 0.000 0.304 585 V C -0.211 175.912 176.094 0.048 0.000 1.042 585 V CA -1.175 61.176 62.300 0.084 0.000 0.877 585 V CB 2.006 33.897 31.823 0.113 0.000 0.996 585 V HN 0.261 nan 8.190 nan 0.000 0.425 586 R N 2.641 123.173 120.500 0.054 0.000 2.494 586 R HA 0.757 5.098 4.340 0.001 0.000 0.305 586 R C -1.455 174.859 176.300 0.024 0.000 0.959 586 R CA -0.506 55.613 56.100 0.031 0.000 0.864 586 R CB 2.090 32.410 30.300 0.033 0.000 1.159 586 R HN 0.568 nan 8.270 nan 0.000 0.446 587 V N 5.786 125.701 119.914 0.003 0.000 2.347 587 V HA 0.314 4.435 4.120 0.001 0.000 0.280 587 V C 0.266 176.350 176.094 -0.015 0.000 1.021 587 V CA -0.809 61.482 62.300 -0.015 0.000 0.847 587 V CB 1.349 33.153 31.823 -0.032 0.000 0.990 587 V HN 0.645 nan 8.190 nan 0.000 0.444 588 L N 5.452 126.665 121.223 -0.018 0.000 2.367 588 L HA 0.399 4.739 4.340 0.001 0.000 0.275 588 L C 0.572 177.433 176.870 -0.014 0.000 1.129 588 L CA 0.156 54.991 54.840 -0.009 0.000 0.839 588 L CB 0.629 42.689 42.059 0.001 0.000 1.133 588 L HN 0.636 nan 8.230 nan 0.000 0.453 589 K N 4.380 124.777 120.400 -0.006 0.000 2.920 589 K HA 0.228 4.549 4.320 0.001 0.000 0.175 589 K C -0.871 175.729 176.600 0.001 0.000 1.099 589 K CA -0.520 55.764 56.287 -0.006 0.000 0.939 589 K CB 0.893 33.386 32.500 -0.011 0.000 1.148 589 K HN 0.523 nan 8.250 nan 0.000 0.613 590 E N -0.288 119.917 120.200 0.007 0.000 7.835 590 E HA -0.177 4.173 4.350 0.001 0.000 0.160 590 E C -2.632 173.973 176.600 0.008 0.000 1.465 590 E CA 0.276 56.682 56.400 0.009 0.000 2.539 590 E CB -1.331 28.373 29.700 0.006 0.000 1.573 590 E HN 0.271 nan 8.360 nan 0.000 0.447 591 P HA -0.069 nan 4.420 nan 0.000 0.252 591 P C 0.285 177.589 177.300 0.005 0.000 1.147 591 P CA 0.521 63.625 63.100 0.007 0.000 0.779 591 P CB -0.043 31.660 31.700 0.006 0.000 0.733 592 I N 0.000 120.574 120.570 0.007 0.000 2.984 592 I HA 0.000 4.170 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 0.007 0.000 1.214 592 I HN 0.000 nan 8.210 nan 0.000 0.494