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 3ogk_1_B 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 IELIPSRXXX XXXXXXXXXX DATA SEQUENCE XXHPAHILAY 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 0.008 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 0.006 0.000 0.593 13 C N 3.051 122.357 119.300 0.010 0.000 2.822 13 C HA 0.837 5.295 4.460 -0.004 0.000 0.341 13 C C 0.375 175.372 174.990 0.011 0.000 1.301 13 C CA -0.343 58.681 59.018 0.010 0.000 1.706 13 C CB 1.223 28.970 27.740 0.012 0.000 2.178 13 C HN 1.065 nan 8.230 nan 0.000 0.481 14 V N 3.376 123.297 119.914 0.012 0.000 2.583 14 V HA 0.234 4.352 4.120 -0.004 0.000 0.302 14 V C 1.005 177.109 176.094 0.016 0.000 1.033 14 V CA 0.630 62.938 62.300 0.013 0.000 1.194 14 V CB -0.896 30.935 31.823 0.013 0.000 0.879 14 V HN 1.037 nan 8.190 nan 0.000 0.482 15 A N 5.089 127.918 122.820 0.015 0.000 2.454 15 A HA 0.538 4.856 4.320 -0.004 0.000 0.260 15 A C 0.720 178.319 177.584 0.026 0.000 1.106 15 A CA -0.234 51.814 52.037 0.018 0.000 0.780 15 A CB -0.109 18.899 19.000 0.013 0.000 1.044 15 A HN 0.914 nan 8.150 nan 0.000 0.498 16 T N 1.599 116.174 114.554 0.035 0.000 2.881 16 T HA 0.350 4.697 4.350 -0.004 0.000 0.278 16 T C 1.683 176.421 174.700 0.064 0.000 0.982 16 T CA -0.270 61.860 62.100 0.051 0.000 0.989 16 T CB 1.187 70.091 68.868 0.060 0.000 1.058 16 T HN 0.439 nan 8.240 nan 0.000 0.529 17 V N 0.163 120.135 119.914 0.096 0.000 2.469 17 V HA -0.161 3.957 4.120 -0.004 0.000 0.251 17 V C 2.178 178.349 176.094 0.127 0.000 1.064 17 V CA 1.962 64.339 62.300 0.129 0.000 1.066 17 V CB -0.975 30.990 31.823 0.237 0.000 0.667 17 V HN 0.923 nan 8.190 nan 0.000 0.461 18 D N 0.331 120.819 120.400 0.147 0.000 2.265 18 D HA -0.180 4.458 4.640 -0.004 0.000 0.208 18 D C 1.639 177.977 176.300 0.062 0.000 0.977 18 D CA 1.061 55.142 54.000 0.135 0.000 0.871 18 D CB -0.111 40.770 40.800 0.134 0.000 0.925 18 D HN 0.439 nan 8.370 nan 0.000 0.485 19 D N -0.673 119.754 120.400 0.045 0.000 2.349 19 D HA -0.018 4.620 4.640 -0.004 0.000 0.224 19 D C 0.993 177.294 176.300 0.001 0.000 1.029 19 D CA 0.232 54.245 54.000 0.022 0.000 0.879 19 D CB 1.263 42.076 40.800 0.021 0.000 0.906 19 D HN 0.152 nan 8.370 nan 0.000 0.528 20 V N 0.187 120.095 119.914 -0.010 0.000 3.400 20 V HA 0.011 4.129 4.120 -0.004 0.000 0.281 20 V C 1.299 177.342 176.094 -0.085 0.000 1.617 20 V CA -0.076 62.201 62.300 -0.038 0.000 1.044 20 V CB 0.869 32.674 31.823 -0.031 0.000 0.858 20 V HN -0.079 nan 8.190 nan 0.000 0.425 21 I N 0.937 121.435 120.570 -0.120 0.000 2.439 21 I HA -0.092 4.075 4.170 -0.004 0.000 0.251 21 I C 2.047 178.009 176.117 -0.258 0.000 1.139 21 I CA 1.962 63.093 61.300 -0.281 0.000 1.438 21 I CB -0.159 37.546 38.000 -0.493 0.000 1.085 21 I HN 0.376 nan 8.210 nan 0.000 0.427 22 E N -0.253 119.853 120.200 -0.155 0.000 2.118 22 E HA -0.267 4.081 4.350 -0.004 0.000 0.195 22 E C 2.093 178.653 176.600 -0.066 0.000 0.992 22 E CA 1.186 57.523 56.400 -0.104 0.000 0.804 22 E CB -0.090 29.577 29.700 -0.054 0.000 0.741 22 E HN 0.581 nan 8.360 nan 0.000 0.458 23 Q N -0.002 119.768 119.800 -0.050 0.000 2.062 23 Q HA -0.082 4.255 4.340 -0.004 0.000 0.196 23 Q C 2.414 178.441 176.000 0.046 0.000 0.967 23 Q CA 0.887 56.694 55.803 0.008 0.000 0.832 23 Q CB 0.056 28.786 28.738 -0.013 0.000 0.899 23 Q HN 0.207 nan 8.270 nan 0.000 0.442 24 V N 1.220 121.096 119.914 -0.063 0.000 2.427 24 V HA -0.259 3.858 4.120 -0.004 0.000 0.248 24 V C 2.360 178.463 176.094 0.014 0.000 1.051 24 V CA 1.535 63.783 62.300 -0.088 0.000 1.048 24 V CB -0.499 31.228 31.823 -0.160 0.000 0.666 24 V HN 0.321 nan 8.190 nan 0.000 0.456 25 M N 1.576 121.128 119.600 -0.081 0.000 2.144 25 M HA -0.186 4.292 4.480 -0.004 0.000 0.260 25 M C 2.165 178.473 176.300 0.014 0.000 1.067 25 M CA 2.527 57.773 55.300 -0.090 0.000 1.095 25 M CB -0.875 31.626 32.600 -0.165 0.000 1.365 25 M HN 0.531 nan 8.290 nan 0.000 0.406 26 T N -2.491 112.101 114.554 0.063 0.000 3.227 26 T HA -0.086 4.261 4.350 -0.004 0.000 0.257 26 T C 0.801 175.477 174.700 -0.040 0.000 1.162 26 T CA 0.748 62.854 62.100 0.009 0.000 1.051 26 T CB -0.722 68.125 68.868 -0.034 0.000 0.953 26 T HN 0.498 nan 8.240 nan 0.000 0.535 27 Y N 0.326 120.598 120.300 -0.048 0.000 2.467 27 Y HA 0.511 5.058 4.550 -0.005 0.000 0.250 27 Y C 0.728 176.612 175.900 -0.026 0.000 1.155 27 Y CA -1.591 56.489 58.100 -0.034 0.000 1.249 27 Y CB 0.275 38.717 38.460 -0.031 0.000 1.146 27 Y HN 0.273 nan 8.280 nan 0.000 0.524 28 I N 0.184 120.815 120.570 0.103 0.000 2.312 28 I HA 0.086 4.253 4.170 -0.004 0.000 0.291 28 I C 1.174 177.306 176.117 0.024 0.000 1.031 28 I CA 0.180 61.517 61.300 0.061 0.000 1.293 28 I CB 1.517 39.548 38.000 0.051 0.000 1.403 28 I HN -0.016 nan 8.210 nan 0.000 0.484 29 T N 2.555 117.118 114.554 0.016 0.000 3.026 29 T HA 0.003 4.350 4.350 -0.004 0.000 0.245 29 T C 0.611 175.306 174.700 -0.010 0.000 1.004 29 T CA 0.011 62.104 62.100 -0.012 0.000 1.069 29 T CB 0.064 68.918 68.868 -0.024 0.000 1.005 29 T HN 0.581 nan 8.240 nan 0.000 0.472 30 D N 2.139 122.544 120.400 0.008 0.000 2.434 30 D HA 0.127 4.764 4.640 -0.004 0.000 0.252 30 D C -1.644 174.667 176.300 0.019 0.000 1.185 30 D CA -1.908 52.099 54.000 0.011 0.000 0.886 30 D CB 1.636 42.450 40.800 0.024 0.000 1.148 30 D HN 0.115 nan 8.370 nan 0.000 0.483 31 P HA -0.163 nan 4.420 nan 0.000 0.217 31 P C 0.939 178.268 177.300 0.049 0.000 1.148 31 P CA 1.188 64.303 63.100 0.025 0.000 0.828 31 P CB 0.289 32.002 31.700 0.022 0.000 0.783 32 K N -0.811 119.619 120.400 0.050 0.000 2.366 32 K HA -0.041 4.276 4.320 -0.004 0.000 0.198 32 K C 1.375 178.019 176.600 0.073 0.000 1.044 32 K CA 1.051 57.376 56.287 0.063 0.000 0.973 32 K CB -0.554 31.980 32.500 0.056 0.000 0.767 32 K HN 0.031 nan 8.250 nan 0.000 0.475 33 D N -0.699 119.743 120.400 0.070 0.000 2.277 33 D HA 0.010 4.647 4.640 -0.004 0.000 0.209 33 D C 1.684 178.047 176.300 0.105 0.000 0.970 33 D CA 0.281 54.332 54.000 0.085 0.000 0.874 33 D CB 0.285 41.130 40.800 0.075 0.000 0.982 33 D HN -0.031 nan 8.370 nan 0.000 0.504 34 R N 1.016 121.569 120.500 0.089 0.000 2.081 34 R HA -0.094 4.244 4.340 -0.004 0.000 0.235 34 R C 1.670 178.053 176.300 0.138 0.000 1.131 34 R CA 0.849 57.010 56.100 0.102 0.000 0.960 34 R CB -0.804 29.535 30.300 0.065 0.000 0.856 34 R HN 0.234 nan 8.270 nan 0.000 0.436 35 D N 0.213 120.689 120.400 0.127 0.000 2.177 35 D HA -0.166 4.472 4.640 -0.004 0.000 0.189 35 D C 1.811 178.199 176.300 0.147 0.000 1.002 35 D CA 2.529 56.613 54.000 0.140 0.000 0.845 35 D CB -0.001 40.867 40.800 0.113 0.000 0.960 35 D HN 0.064 nan 8.370 nan 0.000 0.447 36 S N -0.214 115.563 115.700 0.128 0.000 2.359 36 S HA -0.246 4.221 4.470 -0.004 0.000 0.223 36 S C 2.128 176.831 174.600 0.172 0.000 1.039 36 S CA 1.347 59.621 58.200 0.124 0.000 1.042 36 S CB -0.721 62.542 63.200 0.105 0.000 0.915 36 S HN 0.457 nan 8.310 nan 0.000 0.439 37 A N 1.884 124.843 122.820 0.232 0.000 1.948 37 A HA -0.159 4.158 4.320 -0.004 0.000 0.220 37 A C 2.344 180.171 177.584 0.405 0.000 1.177 37 A CA 2.163 54.436 52.037 0.393 0.000 0.636 37 A CB -1.063 18.154 19.000 0.362 0.000 0.815 37 A HN 0.664 nan 8.150 nan 0.000 0.449 38 S N -0.937 114.938 115.700 0.293 0.000 2.507 38 S HA 0.066 4.534 4.470 -0.004 0.000 0.235 38 S C 1.306 176.110 174.600 0.340 0.000 0.988 38 S CA 1.217 59.605 58.200 0.314 0.000 0.944 38 S CB -0.348 63.009 63.200 0.262 0.000 0.762 38 S HN 0.436 nan 8.310 nan 0.000 0.526 39 L N 1.424 122.781 121.223 0.223 0.000 2.728 39 L HA 0.313 4.650 4.340 -0.004 0.000 0.238 39 L C 2.014 178.906 176.870 0.037 0.000 1.143 39 L CA 0.131 55.048 54.840 0.128 0.000 0.937 39 L CB 0.723 42.837 42.059 0.091 0.000 1.225 39 L HN 0.382 nan 8.230 nan 0.000 0.507 40 V N -1.951 117.961 119.914 -0.003 0.000 2.951 40 V HA 0.048 4.165 4.120 -0.004 0.000 0.255 40 V C 0.634 176.590 176.094 -0.229 0.000 1.088 40 V CA 0.655 62.820 62.300 -0.225 0.000 1.109 40 V CB -0.234 31.221 31.823 -0.614 0.000 0.724 40 V HN 0.558 nan 8.190 nan 0.000 0.471 41 C N -2.492 116.759 119.300 -0.081 0.000 2.951 41 C HA 0.382 4.840 4.460 -0.004 0.000 0.331 41 C C 1.150 176.208 174.990 0.113 0.000 1.256 41 C CA -0.426 58.570 59.018 -0.035 0.000 1.176 41 C CB 0.810 28.477 27.740 -0.122 0.000 1.349 41 C HN 0.419 nan 8.230 nan 0.000 0.473 42 R N 0.279 120.829 120.500 0.083 0.000 2.117 42 R HA -0.150 4.187 4.340 -0.004 0.000 0.243 42 R C 2.420 178.874 176.300 0.257 0.000 1.143 42 R CA 2.222 58.400 56.100 0.130 0.000 0.968 42 R CB -0.248 30.088 30.300 0.059 0.000 0.863 42 R HN 0.736 nan 8.270 nan 0.000 0.444 43 R N -0.327 120.329 120.500 0.260 0.000 2.073 43 R HA -0.138 4.200 4.340 -0.004 0.000 0.229 43 R C 1.782 178.309 176.300 0.378 0.000 1.120 43 R CA 1.326 57.605 56.100 0.298 0.000 0.967 43 R CB -0.077 30.401 30.300 0.297 0.000 0.862 43 R HN 0.232 nan 8.270 nan 0.000 0.436 44 W N 0.011 121.377 121.300 0.109 0.000 2.388 44 W HA -0.137 4.522 4.660 -0.002 0.000 0.294 44 W C 1.956 178.546 176.519 0.119 0.000 1.212 44 W CA 0.519 57.922 57.345 0.098 0.000 1.271 44 W CB -0.994 28.521 29.460 0.091 0.000 1.126 44 W HN 0.069 nan 8.180 nan 0.000 0.535 45 F N 1.651 121.760 119.950 0.265 0.000 2.120 45 F HA -0.254 4.273 4.527 -0.001 0.000 0.300 45 F C 2.314 178.180 175.800 0.110 0.000 1.095 45 F CA 2.389 60.482 58.000 0.155 0.000 1.249 45 F CB -0.428 38.630 39.000 0.096 0.000 0.995 45 F HN -0.199 nan 8.300 nan 0.000 0.480 46 K N 0.227 120.726 120.400 0.165 0.000 2.155 46 K HA -0.043 4.274 4.320 -0.004 0.000 0.203 46 K C 2.077 178.651 176.600 -0.043 0.000 1.052 46 K CA 1.388 57.694 56.287 0.032 0.000 0.948 46 K CB -0.167 32.428 32.500 0.158 0.000 0.728 46 K HN 0.370 nan 8.250 nan 0.000 0.448 47 I N 0.835 121.401 120.570 -0.006 0.000 2.353 47 I HA -0.233 3.934 4.170 -0.004 0.000 0.248 47 I C 2.032 178.117 176.117 -0.054 0.000 1.119 47 I CA 1.401 62.675 61.300 -0.042 0.000 1.417 47 I CB -0.259 37.687 38.000 -0.090 0.000 1.078 47 I HN 0.275 nan 8.210 nan 0.000 0.421 48 D N 0.331 120.699 120.400 -0.052 0.000 2.097 48 D HA -0.249 4.389 4.640 -0.004 0.000 0.195 48 D C 2.276 178.583 176.300 0.011 0.000 0.989 48 D CA 1.695 55.687 54.000 -0.013 0.000 0.827 48 D CB -0.021 40.797 40.800 0.032 0.000 0.966 48 D HN 0.153 nan 8.370 nan 0.000 0.456 49 S N -0.529 115.076 115.700 -0.158 0.000 2.374 49 S HA -0.264 4.204 4.470 -0.004 0.000 0.227 49 S C 1.771 176.391 174.600 0.034 0.000 1.037 49 S CA 1.703 59.808 58.200 -0.157 0.000 1.024 49 S CB -0.488 62.442 63.200 -0.450 0.000 0.861 49 S HN 0.423 nan 8.310 nan 0.000 0.456 50 E N -0.447 119.750 120.200 -0.005 0.000 2.489 50 E HA 0.055 4.402 4.350 -0.004 0.000 0.193 50 E C 1.505 178.119 176.600 0.023 0.000 1.057 50 E CA 0.933 57.344 56.400 0.019 0.000 0.866 50 E CB 0.310 30.010 29.700 0.001 0.000 0.916 50 E HN 0.853 nan 8.360 nan 0.000 0.500 51 T N -2.580 111.987 114.554 0.021 0.000 2.975 51 T HA 0.185 4.532 4.350 -0.004 0.000 0.261 51 T C 0.815 175.508 174.700 -0.013 0.000 0.984 51 T CA -0.551 61.548 62.100 -0.002 0.000 0.911 51 T CB 0.208 69.064 68.868 -0.020 0.000 1.127 51 T HN -0.182 nan 8.240 nan 0.000 0.514 52 R N 2.176 122.678 120.500 0.002 0.000 2.538 52 R HA 0.146 4.483 4.340 -0.004 0.000 0.282 52 R C 0.967 177.194 176.300 -0.121 0.000 1.009 52 R CA 0.580 56.615 56.100 -0.108 0.000 1.063 52 R CB 0.156 30.260 30.300 -0.326 0.000 0.945 52 R HN 0.416 nan 8.270 nan 0.000 0.414 53 E N 1.299 121.433 120.200 -0.111 0.000 2.244 53 E HA -0.011 4.337 4.350 -0.004 0.000 0.196 53 E C -0.097 176.469 176.600 -0.056 0.000 0.939 53 E CA 0.251 56.611 56.400 -0.067 0.000 0.884 53 E CB 0.192 29.869 29.700 -0.039 0.000 0.850 53 E HN 0.508 nan 8.360 nan 0.000 0.481 54 H N 0.354 119.313 119.070 -0.185 0.000 2.600 54 H HA 0.456 5.009 4.556 -0.004 0.000 0.357 54 H C -1.531 173.645 175.328 -0.252 0.000 1.106 54 H CA -0.525 55.416 56.048 -0.179 0.000 1.193 54 H CB 1.514 31.199 29.762 -0.127 0.000 1.594 54 H HN -0.187 nan 8.280 nan 0.000 0.526 55 V N 4.198 123.668 119.914 -0.741 0.000 2.709 55 V HA 0.277 4.394 4.120 -0.004 0.000 0.308 55 V C -0.134 175.631 176.094 -0.548 0.000 1.062 55 V CA -0.638 61.365 62.300 -0.494 0.000 0.901 55 V CB 2.171 33.765 31.823 -0.382 0.000 1.003 55 V HN 0.874 nan 8.190 nan 0.000 0.425 56 T N 5.873 120.310 114.554 -0.196 0.000 2.823 56 T HA 0.621 4.969 4.350 -0.004 0.000 0.279 56 T C -0.394 174.249 174.700 -0.094 0.000 0.998 56 T CA -0.367 61.658 62.100 -0.124 0.000 0.994 56 T CB 1.180 70.068 68.868 0.034 0.000 0.960 56 T HN 0.485 nan 8.240 nan 0.000 0.448 57 M N 2.567 122.084 119.600 -0.138 0.000 2.125 57 M HA 0.408 4.885 4.480 -0.004 0.000 0.321 57 M C 1.057 177.298 176.300 -0.098 0.000 0.983 57 M CA -0.807 54.433 55.300 -0.099 0.000 0.934 57 M CB 1.652 34.150 32.600 -0.171 0.000 1.542 57 M HN 0.800 nan 8.290 nan 0.000 0.424 58 A N 4.295 127.093 122.820 -0.037 0.000 2.121 58 A HA 0.143 4.460 4.320 -0.004 0.000 0.218 58 A C 0.690 178.257 177.584 -0.030 0.000 1.154 58 A CA 0.967 52.974 52.037 -0.051 0.000 0.679 58 A CB 0.247 19.232 19.000 -0.025 0.000 0.795 58 A HN 0.725 nan 8.150 nan 0.000 0.458 59 L N 0.036 121.266 121.223 0.012 0.000 2.541 59 L HA 0.171 4.508 4.340 -0.004 0.000 0.266 59 L C 1.042 177.911 176.870 -0.002 0.000 0.966 59 L CA -0.721 54.142 54.840 0.037 0.000 0.871 59 L CB 1.534 43.665 42.059 0.119 0.000 1.232 59 L HN 0.468 nan 8.230 nan 0.000 0.408 60 C N 1.928 121.153 119.300 -0.125 0.000 2.410 60 C HA -0.161 4.297 4.460 -0.004 0.000 0.281 60 C C 1.764 176.788 174.990 0.058 0.000 1.318 60 C CA 0.480 59.378 59.018 -0.200 0.000 1.776 60 C CB -1.394 26.107 27.740 -0.399 0.000 1.942 60 C HN 0.778 nan 8.230 nan 0.000 0.508 61 Y N 0.840 121.249 120.300 0.182 0.000 2.477 61 Y HA 0.062 4.610 4.550 -0.005 0.000 0.303 61 Y C 2.684 178.756 175.900 0.287 0.000 1.202 61 Y CA 0.690 58.921 58.100 0.218 0.000 1.282 61 Y CB -0.253 38.279 38.460 0.119 0.000 1.071 61 Y HN 0.347 nan 8.280 nan 0.000 0.510 62 T N -0.456 114.325 114.554 0.378 0.000 3.051 62 T HA 0.410 4.758 4.350 -0.004 0.000 0.255 62 T C 0.418 175.319 174.700 0.336 0.000 1.085 62 T CA 0.624 62.949 62.100 0.374 0.000 1.109 62 T CB -0.027 69.018 68.868 0.295 0.000 0.921 62 T HN 0.276 nan 8.240 nan 0.000 0.488 63 A N 0.360 123.388 122.820 0.347 0.000 2.610 63 A HA 0.619 4.937 4.320 -0.004 0.000 0.291 63 A C -0.124 177.652 177.584 0.320 0.000 1.086 63 A CA -0.757 51.463 52.037 0.304 0.000 0.677 63 A CB 0.764 19.929 19.000 0.275 0.000 1.278 63 A HN 0.244 nan 8.150 nan 0.000 0.414 64 T N -0.782 113.877 114.554 0.175 0.000 2.882 64 T HA 0.509 4.856 4.350 -0.004 0.000 0.287 64 T C -2.061 172.557 174.700 -0.137 0.000 1.014 64 T CA -1.264 60.833 62.100 -0.004 0.000 1.049 64 T CB 0.911 69.763 68.868 -0.028 0.000 1.001 64 T HN 0.224 nan 8.240 nan 0.000 0.525 65 P HA -0.051 nan 4.420 nan 0.000 0.218 65 P C 1.155 178.363 177.300 -0.154 0.000 1.149 65 P CA 0.891 63.607 63.100 -0.640 0.000 0.817 65 P CB -0.011 31.113 31.700 -0.961 0.000 0.785 66 D N -0.368 119.951 120.400 -0.134 0.000 2.116 66 D HA -0.225 4.413 4.640 -0.004 0.000 0.193 66 D C 2.119 178.428 176.300 0.014 0.000 0.998 66 D CA 1.289 55.264 54.000 -0.042 0.000 0.836 66 D CB -0.326 40.452 40.800 -0.037 0.000 0.951 66 D HN -0.081 nan 8.370 nan 0.000 0.449 67 R N -0.576 119.946 120.500 0.037 0.000 2.073 67 R HA -0.149 4.188 4.340 -0.004 0.000 0.234 67 R C 2.408 178.760 176.300 0.086 0.000 1.134 67 R CA 1.315 57.454 56.100 0.065 0.000 0.952 67 R CB -0.565 29.791 30.300 0.093 0.000 0.850 67 R HN 0.309 nan 8.270 nan 0.000 0.433 68 L N 0.902 122.225 121.223 0.166 0.000 1.990 68 L HA -0.202 4.136 4.340 -0.004 0.000 0.213 68 L C 2.211 179.191 176.870 0.184 0.000 1.072 68 L CA 2.616 57.601 54.840 0.241 0.000 0.755 68 L CB -0.684 41.621 42.059 0.411 0.000 0.889 68 L HN 0.369 nan 8.230 nan 0.000 0.432 69 S N -1.049 114.737 115.700 0.144 0.000 2.522 69 S HA -0.127 4.340 4.470 -0.004 0.000 0.227 69 S C 2.038 176.675 174.600 0.062 0.000 0.986 69 S CA 0.569 58.837 58.200 0.113 0.000 0.929 69 S CB -0.571 62.683 63.200 0.090 0.000 0.769 69 S HN 0.670 nan 8.310 nan 0.000 0.529 70 R N 1.283 121.802 120.500 0.033 0.000 2.080 70 R HA 0.183 4.520 4.340 -0.004 0.000 0.222 70 R C 2.453 178.728 176.300 -0.041 0.000 1.107 70 R CA 0.785 56.891 56.100 0.009 0.000 0.980 70 R CB -0.317 29.994 30.300 0.017 0.000 0.879 70 R HN 0.358 nan 8.270 nan 0.000 0.439 71 R N -0.069 120.356 120.500 -0.126 0.000 2.092 71 R HA -0.009 4.328 4.340 -0.004 0.000 0.231 71 R C -0.118 175.823 176.300 -0.597 0.000 1.119 71 R CA 1.464 57.316 56.100 -0.414 0.000 0.970 71 R CB 0.026 29.962 30.300 -0.607 0.000 0.864 71 R HN 0.291 nan 8.270 nan 0.000 0.440 72 F N -0.126 119.830 119.950 0.010 0.000 2.584 72 F HA 0.377 4.902 4.527 -0.003 0.000 0.328 72 F C -1.796 174.005 175.800 0.001 0.000 1.407 72 F CA -2.255 55.737 58.000 -0.012 0.000 1.145 72 F CB 1.932 40.926 39.000 -0.010 0.000 1.440 72 F HN -0.002 nan 8.300 nan 0.000 0.580 73 P HA -0.122 nan 4.420 nan 0.000 0.221 73 P C -0.026 177.324 177.300 0.082 0.000 1.145 73 P CA 1.464 64.618 63.100 0.091 0.000 0.795 73 P CB 0.114 31.847 31.700 0.055 0.000 0.775 74 N N -0.993 117.758 118.700 0.086 0.000 2.328 74 N HA 0.169 4.906 4.740 -0.004 0.000 0.247 74 N C -0.166 175.363 175.510 0.031 0.000 1.165 74 N CA -0.348 52.731 53.050 0.049 0.000 0.873 74 N CB -0.063 38.445 38.487 0.034 0.000 1.125 74 N HN 0.058 nan 8.380 nan 0.000 0.513 75 L N 1.065 122.311 121.223 0.039 0.000 2.573 75 L HA -0.039 4.298 4.340 -0.004 0.000 0.290 75 L C 1.418 178.277 176.870 -0.018 0.000 1.247 75 L CA 0.388 55.219 54.840 -0.015 0.000 0.876 75 L CB 0.564 42.613 42.059 -0.016 0.000 1.123 75 L HN 0.308 nan 8.230 nan 0.000 0.505 76 R N 0.910 121.390 120.500 -0.032 0.000 2.225 76 R HA 0.156 4.494 4.340 -0.004 0.000 0.194 76 R C 0.267 176.551 176.300 -0.027 0.000 0.957 76 R CA 0.245 56.333 56.100 -0.021 0.000 1.042 76 R CB 0.460 30.750 30.300 -0.016 0.000 1.004 76 R HN 0.562 nan 8.270 nan 0.000 0.509 77 S N 0.592 116.264 115.700 -0.046 0.000 2.619 77 S HA 0.549 5.016 4.470 -0.004 0.000 0.280 77 S C -1.735 172.733 174.600 -0.221 0.000 1.150 77 S CA -0.694 57.480 58.200 -0.043 0.000 0.978 77 S CB 0.937 64.212 63.200 0.125 0.000 1.041 77 S HN 0.062 nan 8.310 nan 0.000 0.485 78 L N 4.204 125.301 121.223 -0.210 0.000 2.381 78 L HA 0.759 5.096 4.340 -0.004 0.000 0.268 78 L C -1.021 175.696 176.870 -0.255 0.000 0.997 78 L CA -0.231 54.434 54.840 -0.291 0.000 0.818 78 L CB 1.813 43.776 42.059 -0.160 0.000 1.310 78 L HN 0.743 nan 8.230 nan 0.000 0.416 79 K N 5.461 125.686 120.400 -0.292 0.000 2.578 79 K HA 0.619 4.937 4.320 -0.004 0.000 0.250 79 K C -2.107 174.346 176.600 -0.245 0.000 0.955 79 K CA -0.499 55.654 56.287 -0.224 0.000 0.825 79 K CB 1.065 33.462 32.500 -0.172 0.000 1.151 79 K HN 0.705 nan 8.250 nan 0.000 0.432 80 L N 3.834 124.936 121.223 -0.201 0.000 2.346 80 L HA 0.540 4.877 4.340 -0.004 0.000 0.276 80 L C -0.571 176.197 176.870 -0.170 0.000 1.006 80 L CA -1.048 53.646 54.840 -0.243 0.000 0.817 80 L CB 1.938 43.792 42.059 -0.341 0.000 1.272 80 L HN 0.493 nan 8.230 nan 0.000 0.421 81 K N 0.691 120.981 120.400 -0.182 0.000 2.156 81 K HA 0.654 4.971 4.320 -0.004 0.000 0.254 81 K C 0.380 176.914 176.600 -0.109 0.000 0.950 81 K CA -0.378 55.830 56.287 -0.132 0.000 0.849 81 K CB 2.282 34.699 32.500 -0.139 0.000 1.100 81 K HN 0.690 nan 8.250 nan 0.000 0.434 82 G N 1.573 110.339 108.800 -0.057 0.000 2.508 82 G HA2 0.093 4.051 3.960 -0.004 0.000 0.217 82 G HA3 0.093 4.051 3.960 -0.004 0.000 0.217 82 G C -0.546 174.418 174.900 0.107 0.000 2.004 82 G CA -0.294 44.826 45.100 0.033 0.000 0.750 82 G HN 0.396 nan 8.290 nan 0.000 0.730 83 K N 1.840 122.262 120.400 0.038 0.000 2.485 83 K HA 0.207 4.524 4.320 -0.004 0.000 0.277 83 K C -2.337 174.055 176.600 -0.347 0.000 0.990 83 K CA -1.028 55.090 56.287 -0.283 0.000 0.994 83 K CB 0.618 33.000 32.500 -0.197 0.000 0.906 83 K HN 0.092 nan 8.250 nan 0.000 0.488 84 P HA -0.056 nan 4.420 nan 0.000 0.265 84 P C 0.212 177.289 177.300 -0.373 0.000 1.187 84 P CA 0.184 63.071 63.100 -0.355 0.000 0.766 84 P CB 0.512 31.905 31.700 -0.512 0.000 0.820 85 R N 2.760 123.080 120.500 -0.300 0.000 2.154 85 R HA -0.243 4.094 4.340 -0.004 0.000 0.248 85 R C 1.945 178.141 176.300 -0.173 0.000 1.155 85 R CA 1.889 57.864 56.100 -0.209 0.000 0.979 85 R CB -0.779 29.430 30.300 -0.152 0.000 0.869 85 R HN 0.571 nan 8.270 nan 0.000 0.452 86 A N 0.346 122.891 122.820 -0.458 0.000 2.131 86 A HA -0.131 4.186 4.320 -0.004 0.000 0.220 86 A C 2.177 179.643 177.584 -0.196 0.000 1.158 86 A CA 1.565 53.333 52.037 -0.449 0.000 0.665 86 A CB -0.458 17.759 19.000 -1.305 0.000 0.795 86 A HN 0.467 nan 8.150 nan 0.000 0.460 87 A N -0.484 122.177 122.820 -0.265 0.000 2.015 87 A HA -0.023 4.295 4.320 -0.004 0.000 0.219 87 A C 2.008 179.495 177.584 -0.163 0.000 1.163 87 A CA 1.371 53.287 52.037 -0.201 0.000 0.646 87 A CB -0.518 18.349 19.000 -0.222 0.000 0.806 87 A HN 0.549 nan 8.150 nan 0.000 0.448 88 M N -1.567 117.909 119.600 -0.206 0.000 2.686 88 M HA 0.060 4.537 4.480 -0.004 0.000 0.246 88 M C -0.135 175.726 176.300 -0.732 0.000 1.096 88 M CA 0.878 55.905 55.300 -0.455 0.000 1.076 88 M CB -0.127 32.125 32.600 -0.581 0.000 1.504 88 M HN 0.437 nan 8.290 nan 0.000 0.524 89 F N -0.126 119.753 119.950 -0.119 0.000 2.835 89 F HA 0.320 4.844 4.527 -0.004 0.000 0.342 89 F C 0.330 176.082 175.800 -0.079 0.000 1.202 89 F CA -0.777 57.172 58.000 -0.084 0.000 1.240 89 F CB -0.175 38.780 39.000 -0.076 0.000 1.005 89 F HN 0.099 nan 8.300 nan 0.000 0.507 90 N N 1.727 120.429 118.700 0.004 0.000 2.707 90 N HA -0.209 4.528 4.740 -0.004 0.000 0.253 90 N C 0.561 176.053 175.510 -0.030 0.000 0.998 90 N CA 0.700 53.749 53.050 -0.001 0.000 0.751 90 N CB -1.041 37.460 38.487 0.024 0.000 0.920 90 N HN 0.464 nan 8.380 nan 0.000 0.539 91 L N -1.144 120.051 121.223 -0.046 0.000 2.672 91 L HA 0.271 4.608 4.340 -0.004 0.000 0.236 91 L C 0.556 177.470 176.870 0.074 0.000 1.092 91 L CA 0.288 55.084 54.840 -0.074 0.000 0.887 91 L CB 0.313 42.342 42.059 -0.050 0.000 1.168 91 L HN 0.085 nan 8.230 nan 0.000 0.502 92 I N 1.196 121.764 120.570 -0.004 0.000 2.404 92 I HA 0.364 4.531 4.170 -0.004 0.000 0.293 92 I C -2.037 174.134 176.117 0.091 0.000 0.992 92 I CA -2.446 58.868 61.300 0.023 0.000 1.149 92 I CB 1.176 39.059 38.000 -0.195 0.000 1.315 92 I HN -0.233 nan 8.210 nan 0.000 0.446 93 P HA -0.010 nan 4.420 nan 0.000 0.266 93 P C 0.747 178.150 177.300 0.173 0.000 1.193 93 P CA 0.133 63.345 63.100 0.186 0.000 0.770 93 P CB 0.923 32.766 31.700 0.238 0.000 0.836 94 E N 3.079 123.352 120.200 0.122 0.000 2.110 94 E HA -0.211 4.136 4.350 -0.004 0.000 0.193 94 E C 1.118 177.786 176.600 0.113 0.000 0.988 94 E CA 1.651 58.105 56.400 0.090 0.000 0.804 94 E CB -0.512 29.221 29.700 0.056 0.000 0.745 94 E HN 0.439 nan 8.360 nan 0.000 0.458 95 N N -0.457 118.328 118.700 0.141 0.000 2.383 95 N HA -0.083 4.655 4.740 -0.004 0.000 0.192 95 N C 1.205 176.814 175.510 0.166 0.000 1.141 95 N CA 0.325 53.462 53.050 0.145 0.000 0.851 95 N CB -1.143 37.432 38.487 0.147 0.000 0.976 95 N HN 0.338 nan 8.380 nan 0.000 0.465 96 W N 1.749 123.070 121.300 0.034 0.000 2.305 96 W HA -0.018 4.639 4.660 -0.005 0.000 0.308 96 W C 0.718 177.274 176.519 0.061 0.000 1.226 96 W CA 2.381 59.761 57.345 0.059 0.000 1.253 96 W CB -0.094 29.405 29.460 0.066 0.000 1.146 96 W HN 0.315 nan 8.180 nan 0.000 0.507 97 G N -3.215 105.582 108.800 -0.006 0.000 2.350 97 G HA2 0.392 4.350 3.960 -0.004 0.000 0.282 97 G HA3 0.392 4.350 3.960 -0.004 0.000 0.282 97 G C 0.244 175.116 174.900 -0.048 0.000 1.314 97 G CA 0.026 44.974 45.100 -0.254 0.000 0.915 97 G HN 1.061 nan 8.290 nan 0.000 0.499 98 G N -1.790 107.028 108.800 0.030 0.000 2.135 98 G HA2 -0.044 3.913 3.960 -0.004 0.000 0.183 98 G HA3 -0.044 3.913 3.960 -0.004 0.000 0.183 98 G C 0.202 175.018 174.900 -0.140 0.000 1.004 98 G CA 0.432 45.512 45.100 -0.033 0.000 0.677 98 G HN 1.456 nan 8.290 nan 0.000 0.512 99 Y N -0.551 119.782 120.300 0.055 0.000 2.544 99 Y HA 0.307 4.854 4.550 -0.005 0.000 0.330 99 Y C 1.599 177.503 175.900 0.007 0.000 1.136 99 Y CA 0.531 58.647 58.100 0.027 0.000 1.417 99 Y CB 1.506 39.997 38.460 0.052 0.000 1.229 99 Y HN -0.014 nan 8.280 nan 0.000 0.532 100 V N 3.012 122.948 119.914 0.036 0.000 3.541 100 V HA -0.148 3.969 4.120 -0.004 0.000 0.267 100 V C 1.939 178.058 176.094 0.043 0.000 1.213 100 V CA 1.757 63.979 62.300 -0.130 0.000 1.149 100 V CB -0.321 31.104 31.823 -0.664 0.000 0.822 100 V HN 1.067 nan 8.190 nan 0.000 0.462 101 T N 0.039 114.639 114.554 0.078 0.000 2.777 101 T HA -0.042 4.306 4.350 -0.004 0.000 0.266 101 T C 0.023 174.733 174.700 0.016 0.000 1.040 101 T CA 1.503 63.628 62.100 0.042 0.000 1.141 101 T CB -1.011 67.873 68.868 0.026 0.000 0.868 101 T HN 0.428 nan 8.240 nan 0.000 0.444 102 P HA -0.007 nan 4.420 nan 0.000 0.216 102 P C 0.708 177.857 177.300 -0.252 0.000 1.150 102 P CA 1.100 64.085 63.100 -0.190 0.000 0.837 102 P CB -0.359 31.148 31.700 -0.321 0.000 0.786 103 W N -0.203 121.098 121.300 0.001 0.000 2.363 103 W HA -0.104 4.553 4.660 -0.005 0.000 0.296 103 W C 2.343 178.898 176.519 0.060 0.000 1.212 103 W CA 1.041 58.406 57.345 0.034 0.000 1.260 103 W CB -1.463 28.024 29.460 0.044 0.000 1.131 103 W HN -0.159 nan 8.180 nan 0.000 0.530 104 V N -0.448 119.605 119.914 0.232 0.000 2.719 104 V HA -0.181 3.937 4.120 -0.004 0.000 0.252 104 V C 2.127 178.276 176.094 0.092 0.000 1.065 104 V CA 2.472 64.878 62.300 0.177 0.000 1.086 104 V CB -1.005 30.910 31.823 0.154 0.000 0.700 104 V HN 0.273 nan 8.190 nan 0.000 0.467 105 T N -0.911 113.667 114.554 0.040 0.000 2.821 105 T HA -0.200 4.147 4.350 -0.004 0.000 0.267 105 T C 1.833 176.538 174.700 0.007 0.000 1.046 105 T CA 1.857 63.962 62.100 0.008 0.000 1.139 105 T CB -0.412 68.444 68.868 -0.021 0.000 0.871 105 T HN 0.605 nan 8.240 nan 0.000 0.454 106 E N 0.900 121.098 120.200 -0.003 0.000 2.110 106 E HA -0.012 4.336 4.350 -0.004 0.000 0.193 106 E C 2.008 178.645 176.600 0.063 0.000 0.988 106 E CA 1.187 57.591 56.400 0.007 0.000 0.804 106 E CB -0.633 29.045 29.700 -0.037 0.000 0.745 106 E HN 0.717 nan 8.360 nan 0.000 0.458 107 I N -0.087 120.549 120.570 0.110 0.000 2.163 107 I HA -0.319 3.849 4.170 -0.004 0.000 0.243 107 I C 2.410 178.565 176.117 0.063 0.000 1.085 107 I CA 1.188 62.551 61.300 0.105 0.000 1.347 107 I CB -0.422 37.659 38.000 0.134 0.000 1.044 107 I HN 0.077 nan 8.210 nan 0.000 0.408 108 S N 0.758 116.488 115.700 0.050 0.000 2.368 108 S HA -0.256 4.211 4.470 -0.004 0.000 0.226 108 S C 1.649 176.261 174.600 0.021 0.000 1.044 108 S CA 2.337 60.554 58.200 0.027 0.000 1.062 108 S CB -0.571 62.639 63.200 0.016 0.000 0.931 108 S HN 0.538 nan 8.310 nan 0.000 0.440 109 N N 0.261 118.973 118.700 0.019 0.000 2.368 109 N HA 0.108 4.845 4.740 -0.004 0.000 0.176 109 N C 0.904 176.426 175.510 0.021 0.000 1.021 109 N CA 0.726 53.784 53.050 0.014 0.000 0.888 109 N CB 0.125 38.615 38.487 0.005 0.000 0.995 109 N HN 0.273 nan 8.380 nan 0.000 0.437 110 N N -0.243 118.475 118.700 0.031 0.000 2.129 110 N HA 0.172 4.909 4.740 -0.004 0.000 0.222 110 N C -0.509 175.030 175.510 0.050 0.000 1.303 110 N CA 0.153 53.225 53.050 0.036 0.000 0.897 110 N CB 1.236 39.743 38.487 0.034 0.000 1.093 110 N HN 0.073 nan 8.380 nan 0.000 0.501 111 L N 1.501 122.758 121.223 0.057 0.000 2.828 111 L HA 0.381 4.719 4.340 -0.004 0.000 0.233 111 L C 0.958 177.853 176.870 0.042 0.000 1.250 111 L CA -0.218 54.658 54.840 0.060 0.000 1.125 111 L CB 0.559 42.666 42.059 0.079 0.000 1.432 111 L HN -0.295 nan 8.230 nan 0.000 0.444 112 R N 0.004 120.524 120.500 0.034 0.000 2.369 112 R HA -0.109 4.228 4.340 -0.004 0.000 0.200 112 R C 1.547 177.859 176.300 0.019 0.000 1.046 112 R CA 0.653 56.767 56.100 0.024 0.000 1.057 112 R CB -0.159 30.153 30.300 0.020 0.000 0.888 112 R HN 0.417 nan 8.270 nan 0.000 0.474 113 Q N -0.961 118.851 119.800 0.019 0.000 2.189 113 Q HA 0.192 4.529 4.340 -0.004 0.000 0.223 113 Q C -0.712 175.291 176.000 0.005 0.000 0.828 113 Q CA -0.203 55.607 55.803 0.011 0.000 0.967 113 Q CB 0.578 29.323 28.738 0.011 0.000 1.139 113 Q HN 0.093 nan 8.270 nan 0.000 0.497 114 L N 1.970 123.197 121.223 0.008 0.000 2.513 114 L HA 0.012 4.349 4.340 -0.004 0.000 0.272 114 L C 0.789 177.654 176.870 -0.009 0.000 1.187 114 L CA 1.036 55.875 54.840 -0.002 0.000 0.895 114 L CB 0.616 42.679 42.059 0.006 0.000 1.147 114 L HN 0.193 nan 8.230 nan 0.000 0.483 115 K N 1.407 121.797 120.400 -0.017 0.000 2.402 115 K HA 0.252 4.569 4.320 -0.004 0.000 0.203 115 K C 0.176 176.757 176.600 -0.032 0.000 1.077 115 K CA -0.060 56.216 56.287 -0.019 0.000 1.051 115 K CB 0.531 33.023 32.500 -0.014 0.000 0.907 115 K HN 0.431 nan 8.250 nan 0.000 0.554 116 S N 0.626 116.300 115.700 -0.043 0.000 2.572 116 S HA 0.509 4.977 4.470 -0.004 0.000 0.274 116 S C -1.432 173.104 174.600 -0.106 0.000 1.150 116 S CA -0.561 57.602 58.200 -0.061 0.000 0.944 116 S CB 1.930 65.112 63.200 -0.029 0.000 1.071 116 S HN 0.030 nan 8.310 nan 0.000 0.479 117 V N 4.928 124.734 119.914 -0.179 0.000 2.638 117 V HA 0.510 4.627 4.120 -0.004 0.000 0.306 117 V C -0.708 175.155 176.094 -0.385 0.000 1.052 117 V CA -0.689 61.408 62.300 -0.338 0.000 0.885 117 V CB 1.620 33.131 31.823 -0.519 0.000 0.999 117 V HN 1.020 nan 8.190 nan 0.000 0.424 118 H N 4.567 123.355 119.070 -0.471 0.000 2.708 118 H HA 0.609 5.162 4.556 -0.004 0.000 0.320 118 H C -1.633 173.499 175.328 -0.327 0.000 0.991 118 H CA -0.756 55.090 56.048 -0.337 0.000 1.243 118 H CB 0.834 30.503 29.762 -0.156 0.000 1.446 118 H HN 0.501 nan 8.280 nan 0.000 0.502 119 F N 3.763 123.828 119.950 0.191 0.000 2.420 119 F HA 0.388 4.913 4.527 -0.005 0.000 0.342 119 F C 0.355 176.234 175.800 0.131 0.000 1.113 119 F CA -0.788 57.249 58.000 0.060 0.000 1.059 119 F CB 1.344 40.344 39.000 0.000 0.000 1.128 119 F HN 0.454 nan 8.300 nan 0.000 0.475 120 R N 2.823 123.435 120.500 0.187 0.000 2.439 120 R HA 0.517 4.855 4.340 -0.004 0.000 0.310 120 R C -0.156 176.162 176.300 0.031 0.000 0.955 120 R CA -0.605 55.554 56.100 0.100 0.000 0.853 120 R CB 0.633 30.907 30.300 -0.045 0.000 1.171 120 R HN 0.761 nan 8.270 nan 0.000 0.449 121 R N 3.316 123.836 120.500 0.034 0.000 3.332 121 R HA -0.161 4.177 4.340 -0.004 0.000 0.263 121 R C -0.709 175.593 176.300 0.003 0.000 1.053 121 R CA 1.024 57.119 56.100 -0.007 0.000 0.705 121 R CB -1.130 29.134 30.300 -0.060 0.000 1.166 121 R HN 0.587 nan 8.270 nan 0.000 0.427 122 M N 0.414 120.027 119.600 0.020 0.000 2.716 122 M HA 0.491 4.968 4.480 -0.004 0.000 0.307 122 M C 0.409 176.695 176.300 -0.022 0.000 1.223 122 M CA -1.111 54.172 55.300 -0.029 0.000 0.871 122 M CB 1.744 34.287 32.600 -0.095 0.000 1.739 122 M HN -0.097 nan 8.290 nan 0.000 0.475 123 I N 2.756 123.277 120.570 -0.083 0.000 2.337 123 I HA 0.278 4.446 4.170 -0.004 0.000 0.291 123 I C -0.513 175.610 176.117 0.011 0.000 1.046 123 I CA -0.379 60.899 61.300 -0.037 0.000 1.324 123 I CB 0.344 38.243 38.000 -0.168 0.000 1.409 123 I HN 0.291 nan 8.210 nan 0.000 0.494 124 V N 6.082 126.053 119.914 0.095 0.000 2.407 124 V HA 0.312 4.430 4.120 -0.004 0.000 0.291 124 V C 0.446 176.656 176.094 0.193 0.000 1.018 124 V CA -0.509 61.826 62.300 0.058 0.000 0.842 124 V CB 1.742 33.553 31.823 -0.022 0.000 0.996 124 V HN 0.905 nan 8.190 nan 0.000 0.426 125 S N 2.127 117.909 115.700 0.136 0.000 2.730 125 S HA 0.367 4.834 4.470 -0.004 0.000 0.284 125 S C 0.584 175.264 174.600 0.134 0.000 1.153 125 S CA -0.539 57.758 58.200 0.161 0.000 0.995 125 S CB 1.532 64.803 63.200 0.119 0.000 1.058 125 S HN 0.594 nan 8.310 nan 0.000 0.552 126 D N 0.053 120.537 120.400 0.139 0.000 2.178 126 D HA -0.043 4.594 4.640 -0.004 0.000 0.202 126 D C 1.722 178.060 176.300 0.064 0.000 0.974 126 D CA 0.718 54.782 54.000 0.106 0.000 0.841 126 D CB -0.384 40.478 40.800 0.103 0.000 0.953 126 D HN 0.421 nan 8.370 nan 0.000 0.478 127 L N 1.484 122.741 121.223 0.056 0.000 2.056 127 L HA -0.165 4.172 4.340 -0.004 0.000 0.207 127 L C 1.338 178.225 176.870 0.028 0.000 1.078 127 L CA 1.918 56.779 54.840 0.035 0.000 0.749 127 L CB -0.719 41.357 42.059 0.029 0.000 0.901 127 L HN -0.046 nan 8.230 nan 0.000 0.433 128 D N -0.477 119.942 120.400 0.033 0.000 2.224 128 D HA -0.213 4.424 4.640 -0.004 0.000 0.205 128 D C 2.088 178.405 176.300 0.029 0.000 0.965 128 D CA 1.691 55.706 54.000 0.026 0.000 0.852 128 D CB -0.783 40.027 40.800 0.017 0.000 0.947 128 D HN 0.536 nan 8.370 nan 0.000 0.494 129 L N -1.312 119.923 121.223 0.019 0.000 2.240 129 L HA 0.141 4.479 4.340 -0.004 0.000 0.211 129 L C 1.774 178.648 176.870 0.008 0.000 1.106 129 L CA 1.638 56.484 54.840 0.010 0.000 0.793 129 L CB -0.803 41.231 42.059 -0.041 0.000 0.927 129 L HN -0.170 nan 8.230 nan 0.000 0.446 130 D N 0.915 121.321 120.400 0.010 0.000 2.123 130 D HA -0.203 4.435 4.640 -0.004 0.000 0.196 130 D C 2.357 178.626 176.300 -0.051 0.000 0.992 130 D CA 1.615 55.609 54.000 -0.011 0.000 0.833 130 D CB 0.116 40.918 40.800 0.004 0.000 0.954 130 D HN 0.253 nan 8.370 nan 0.000 0.455 131 R N -0.167 120.319 120.500 -0.022 0.000 2.081 131 R HA -0.062 4.276 4.340 -0.004 0.000 0.235 131 R C 2.473 178.761 176.300 -0.020 0.000 1.131 131 R CA 0.760 56.844 56.100 -0.025 0.000 0.960 131 R CB -0.486 29.813 30.300 -0.001 0.000 0.856 131 R HN 0.293 nan 8.270 nan 0.000 0.436 132 L N 0.402 121.633 121.223 0.012 0.000 2.012 132 L HA -0.198 4.140 4.340 -0.004 0.000 0.210 132 L C 2.395 179.263 176.870 -0.004 0.000 1.073 132 L CA 1.692 56.552 54.840 0.032 0.000 0.748 132 L CB -0.543 41.560 42.059 0.073 0.000 0.891 132 L HN 0.268 nan 8.230 nan 0.000 0.431 133 A N -0.018 122.786 122.820 -0.025 0.000 1.877 133 A HA -0.259 4.059 4.320 -0.004 0.000 0.216 133 A C 2.240 179.761 177.584 -0.105 0.000 1.186 133 A CA 1.976 53.994 52.037 -0.030 0.000 0.620 133 A CB -0.389 18.614 19.000 0.004 0.000 0.822 133 A HN 0.418 nan 8.150 nan 0.000 0.443 134 K N -0.477 119.785 120.400 -0.230 0.000 2.103 134 K HA 0.068 4.386 4.320 -0.004 0.000 0.204 134 K C 2.239 178.780 176.600 -0.100 0.000 1.052 134 K CA 0.934 57.065 56.287 -0.261 0.000 0.945 134 K CB -0.255 32.062 32.500 -0.304 0.000 0.722 134 K HN 0.429 nan 8.250 nan 0.000 0.443 135 A N 0.951 123.735 122.820 -0.060 0.000 1.969 135 A HA -0.103 4.214 4.320 -0.004 0.000 0.218 135 A C 2.038 179.617 177.584 -0.007 0.000 1.169 135 A CA 1.444 53.467 52.037 -0.023 0.000 0.635 135 A CB -0.101 18.896 19.000 -0.005 0.000 0.810 135 A HN 0.067 nan 8.150 nan 0.000 0.445 136 R N -2.407 118.090 120.500 -0.004 0.000 2.287 136 R HA 0.466 4.804 4.340 -0.004 0.000 0.197 136 R C 1.301 177.608 176.300 0.012 0.000 0.900 136 R CA 1.033 57.137 56.100 0.006 0.000 1.052 136 R CB -0.317 29.988 30.300 0.008 0.000 1.117 136 R HN 0.596 nan 8.270 nan 0.000 0.568 137 A N 0.832 123.663 122.820 0.018 0.000 5.395 137 A HA -0.392 3.925 4.320 -0.004 0.000 0.332 137 A C 1.148 178.756 177.584 0.039 0.000 1.754 137 A CA 1.994 54.058 52.037 0.046 0.000 0.716 137 A CB -1.694 17.334 19.000 0.047 0.000 1.411 137 A HN 0.390 nan 8.150 nan 0.000 0.398 138 D N 0.095 120.515 120.400 0.033 0.000 2.351 138 D HA 0.042 4.679 4.640 -0.004 0.000 0.216 138 D C 1.148 177.457 176.300 0.015 0.000 0.968 138 D CA 1.293 55.306 54.000 0.023 0.000 0.899 138 D CB -0.361 40.450 40.800 0.019 0.000 0.907 138 D HN 0.480 nan 8.370 nan 0.000 0.514 139 D N -0.348 120.060 120.400 0.012 0.000 2.289 139 D HA -0.035 4.602 4.640 -0.004 0.000 0.207 139 D C 0.621 176.921 176.300 0.001 0.000 0.966 139 D CA 0.002 54.006 54.000 0.006 0.000 0.868 139 D CB 0.014 40.817 40.800 0.005 0.000 0.943 139 D HN 0.136 nan 8.370 nan 0.000 0.514 140 L N 1.913 123.137 121.223 0.002 0.000 2.536 140 L HA 0.029 4.366 4.340 -0.004 0.000 0.282 140 L C 1.159 178.024 176.870 -0.009 0.000 1.147 140 L CA 0.374 55.209 54.840 -0.008 0.000 0.936 140 L CB 0.004 42.059 42.059 -0.007 0.000 1.279 140 L HN -0.098 nan 8.230 nan 0.000 0.461 141 E N 1.236 121.428 120.200 -0.014 0.000 2.216 141 E HA -0.019 4.328 4.350 -0.004 0.000 0.192 141 E C 0.219 176.807 176.600 -0.020 0.000 0.988 141 E CA 0.837 57.230 56.400 -0.012 0.000 0.834 141 E CB 0.348 30.041 29.700 -0.013 0.000 0.772 141 E HN 0.641 nan 8.360 nan 0.000 0.479 142 T N -0.146 114.386 114.554 -0.037 0.000 3.071 142 T HA 0.460 4.808 4.350 -0.004 0.000 0.311 142 T C -1.761 172.884 174.700 -0.091 0.000 1.042 142 T CA -0.908 61.160 62.100 -0.055 0.000 1.028 142 T CB 1.310 70.146 68.868 -0.055 0.000 1.068 142 T HN -0.010 nan 8.240 nan 0.000 0.451 143 L N 3.679 124.840 121.223 -0.103 0.000 2.409 143 L HA 0.746 5.083 4.340 -0.004 0.000 0.272 143 L C -1.151 175.616 176.870 -0.173 0.000 0.980 143 L CA -0.344 54.403 54.840 -0.154 0.000 0.826 143 L CB 1.712 43.698 42.059 -0.121 0.000 1.268 143 L HN 0.724 nan 8.230 nan 0.000 0.407 144 K N 6.707 126.959 120.400 -0.248 0.000 2.507 144 K HA 0.482 4.799 4.320 -0.004 0.000 0.253 144 K C -1.258 175.244 176.600 -0.163 0.000 0.969 144 K CA -0.453 55.668 56.287 -0.277 0.000 0.908 144 K CB 1.423 33.561 32.500 -0.604 0.000 1.127 144 K HN 0.595 nan 8.250 nan 0.000 0.437 145 L N 3.277 124.463 121.223 -0.062 0.000 2.328 145 L HA 0.182 4.519 4.340 -0.004 0.000 0.280 145 L C -0.195 176.735 176.870 0.100 0.000 1.111 145 L CA -0.513 54.359 54.840 0.054 0.000 0.909 145 L CB 0.083 42.136 42.059 -0.011 0.000 1.277 145 L HN 0.507 nan 8.230 nan 0.000 0.433 146 D N 5.048 125.518 120.400 0.116 0.000 2.412 146 D HA 0.159 4.796 4.640 -0.004 0.000 0.224 146 D C 0.223 176.588 176.300 0.108 0.000 1.093 146 D CA -0.400 53.663 54.000 0.105 0.000 0.850 146 D CB 0.611 41.518 40.800 0.178 0.000 1.046 146 D HN 0.331 nan 8.370 nan 0.000 0.507 147 K N 1.716 122.159 120.400 0.072 0.000 3.077 147 K HA -0.171 4.147 4.320 -0.004 0.000 0.264 147 K C -0.338 176.294 176.600 0.054 0.000 1.008 147 K CA 0.344 56.647 56.287 0.026 0.000 0.740 147 K CB -2.269 30.218 32.500 -0.021 0.000 1.273 147 K HN 0.414 nan 8.250 nan 0.000 0.477 148 C N 0.341 119.722 119.300 0.135 0.000 2.325 148 C HA 0.692 5.149 4.460 -0.004 0.000 0.370 148 C C 1.054 176.156 174.990 0.187 0.000 1.217 148 C CA -0.125 59.001 59.018 0.180 0.000 2.254 148 C CB 1.492 29.393 27.740 0.269 0.000 2.282 148 C HN 0.647 nan 8.230 nan 0.000 0.564 149 S N -1.006 114.796 115.700 0.170 0.000 2.651 149 S HA 0.790 5.258 4.470 -0.004 0.000 0.279 149 S C 0.004 174.695 174.600 0.152 0.000 1.148 149 S CA 0.284 58.522 58.200 0.063 0.000 0.837 149 S CB 1.305 64.490 63.200 -0.025 0.000 1.138 149 S HN 2.306 nan 8.310 nan 0.000 0.478 150 G N -0.067 108.759 108.800 0.043 0.000 2.179 150 G HA2 -0.113 3.844 3.960 -0.004 0.000 0.220 150 G HA3 -0.113 3.844 3.960 -0.004 0.000 0.220 150 G C -0.177 174.842 174.900 0.199 0.000 0.990 150 G CA 0.120 45.290 45.100 0.117 0.000 0.646 150 G HN 1.488 nan 8.290 nan 0.000 0.517 151 F N 0.558 120.561 119.950 0.087 0.000 2.561 151 F HA 0.943 5.467 4.527 -0.004 0.000 0.384 151 F C 0.494 176.358 175.800 0.106 0.000 1.131 151 F CA -0.277 57.771 58.000 0.081 0.000 1.133 151 F CB 0.993 40.030 39.000 0.062 0.000 1.506 151 F HN 0.498 nan 8.300 nan 0.000 0.499 152 T N -3.809 110.894 114.554 0.249 0.000 2.754 152 T HA 0.276 4.624 4.350 -0.004 0.000 0.296 152 T C 0.687 175.435 174.700 0.080 0.000 1.205 152 T CA -0.011 62.145 62.100 0.093 0.000 1.009 152 T CB 0.775 69.692 68.868 0.082 0.000 1.368 152 T HN 1.008 nan 8.240 nan 0.000 0.509 153 T N -1.289 113.261 114.554 -0.007 0.000 2.946 153 T HA -0.072 4.275 4.350 -0.004 0.000 0.271 153 T C 1.105 175.835 174.700 0.050 0.000 1.104 153 T CA 1.626 63.711 62.100 -0.025 0.000 1.114 153 T CB -0.775 68.156 68.868 0.106 0.000 0.867 153 T HN 0.604 nan 8.240 nan 0.000 0.513 154 D N 1.655 122.100 120.400 0.075 0.000 2.178 154 D HA 0.027 4.665 4.640 -0.004 0.000 0.202 154 D C 2.359 178.704 176.300 0.074 0.000 0.974 154 D CA 1.317 55.366 54.000 0.081 0.000 0.841 154 D CB -0.838 40.009 40.800 0.078 0.000 0.953 154 D HN 0.601 nan 8.370 nan 0.000 0.478 155 G N 0.659 109.505 108.800 0.077 0.000 2.394 155 G HA2 -0.134 3.823 3.960 -0.004 0.000 0.215 155 G HA3 -0.134 3.823 3.960 -0.004 0.000 0.215 155 G C 1.792 176.686 174.900 -0.010 0.000 1.165 155 G CA 0.098 45.227 45.100 0.050 0.000 0.784 155 G HN 0.228 nan 8.290 nan 0.000 0.535 156 L N -0.244 120.937 121.223 -0.070 0.000 2.012 156 L HA -0.063 4.275 4.340 -0.004 0.000 0.210 156 L C 2.708 179.583 176.870 0.007 0.000 1.073 156 L CA 0.640 55.378 54.840 -0.171 0.000 0.748 156 L CB -0.511 41.211 42.059 -0.563 0.000 0.891 156 L HN 0.218 nan 8.230 nan 0.000 0.431 157 L N -0.575 120.699 121.223 0.085 0.000 2.046 157 L HA -0.212 4.126 4.340 -0.004 0.000 0.208 157 L C 2.742 179.676 176.870 0.106 0.000 1.077 157 L CA 1.910 56.836 54.840 0.144 0.000 0.747 157 L CB -0.596 41.545 42.059 0.138 0.000 0.896 157 L HN 0.161 nan 8.230 nan 0.000 0.432 158 S N -0.532 115.233 115.700 0.109 0.000 2.368 158 S HA -0.179 4.288 4.470 -0.004 0.000 0.225 158 S C 2.080 176.806 174.600 0.211 0.000 1.030 158 S CA 1.578 59.886 58.200 0.181 0.000 0.999 158 S CB -0.560 62.731 63.200 0.152 0.000 0.844 158 S HN 0.602 nan 8.310 nan 0.000 0.459 159 I N 0.827 121.460 120.570 0.106 0.000 2.353 159 I HA 0.015 4.183 4.170 -0.004 0.000 0.248 159 I C 2.080 178.249 176.117 0.088 0.000 1.119 159 I CA 1.320 62.673 61.300 0.089 0.000 1.417 159 I CB -0.653 37.358 38.000 0.020 0.000 1.078 159 I HN 0.239 nan 8.210 nan 0.000 0.421 160 V N -0.435 119.530 119.914 0.085 0.000 2.970 160 V HA -0.098 4.020 4.120 -0.004 0.000 0.260 160 V C 2.460 178.580 176.094 0.043 0.000 1.100 160 V CA 1.812 64.165 62.300 0.088 0.000 1.122 160 V CB -1.798 30.114 31.823 0.149 0.000 0.721 160 V HN 0.714 nan 8.190 nan 0.000 0.483 161 T N -1.722 112.830 114.554 -0.003 0.000 3.009 161 T HA -0.033 4.314 4.350 -0.004 0.000 0.258 161 T C 1.661 176.231 174.700 -0.217 0.000 1.063 161 T CA 1.405 63.422 62.100 -0.138 0.000 1.139 161 T CB -0.558 68.179 68.868 -0.217 0.000 0.890 161 T HN 0.621 nan 8.240 nan 0.000 0.471 162 H N -0.502 118.566 119.070 -0.003 0.000 2.547 162 H HA 0.393 4.946 4.556 -0.004 0.000 0.272 162 H C 0.454 175.779 175.328 -0.005 0.000 0.971 162 H CA 0.175 56.219 56.048 -0.007 0.000 1.245 162 H CB 0.195 29.956 29.762 -0.001 0.000 1.440 162 H HN 0.352 nan 8.280 nan 0.000 0.540 163 C N 2.221 121.587 119.300 0.109 0.000 2.170 163 C HA 0.270 4.727 4.460 -0.004 0.000 0.339 163 C C 1.206 176.219 174.990 0.039 0.000 1.056 163 C CA -0.603 58.453 59.018 0.063 0.000 1.535 163 C CB -0.618 27.153 27.740 0.052 0.000 1.785 163 C HN 0.567 nan 8.230 nan 0.000 0.440 164 R N 0.838 121.354 120.500 0.027 0.000 2.297 164 R HA 0.039 4.376 4.340 -0.004 0.000 0.197 164 R C 0.985 177.300 176.300 0.025 0.000 0.943 164 R CA 0.560 56.671 56.100 0.018 0.000 1.038 164 R CB 0.217 30.516 30.300 -0.001 0.000 0.957 164 R HN 0.606 nan 8.270 nan 0.000 0.484 165 K N 0.909 121.323 120.400 0.023 0.000 2.478 165 K HA 0.275 4.592 4.320 -0.004 0.000 0.205 165 K C -0.100 176.512 176.600 0.019 0.000 1.033 165 K CA -0.192 56.107 56.287 0.020 0.000 1.091 165 K CB 0.772 33.280 32.500 0.014 0.000 0.844 165 K HN 0.032 nan 8.250 nan 0.000 0.507 166 I N 2.187 122.772 120.570 0.025 0.000 2.821 166 I HA -0.166 4.002 4.170 -0.004 0.000 0.294 166 I C 1.103 177.234 176.117 0.022 0.000 1.210 166 I CA 0.905 62.218 61.300 0.021 0.000 1.430 166 I CB 0.301 38.320 38.000 0.032 0.000 1.356 166 I HN 0.182 nan 8.210 nan 0.000 0.563 167 K N 2.967 123.374 120.400 0.011 0.000 2.244 167 K HA 0.032 4.349 4.320 -0.004 0.000 0.200 167 K C 0.736 177.343 176.600 0.012 0.000 1.052 167 K CA 0.665 56.959 56.287 0.011 0.000 0.980 167 K CB 0.316 32.816 32.500 0.001 0.000 0.838 167 K HN 0.755 nan 8.250 nan 0.000 0.481 168 T N 0.345 114.899 114.554 0.001 0.000 2.928 168 T HA 0.479 4.827 4.350 -0.004 0.000 0.296 168 T C -1.792 172.902 174.700 -0.010 0.000 1.000 168 T CA -0.850 61.248 62.100 -0.004 0.000 0.989 168 T CB 1.177 70.031 68.868 -0.023 0.000 1.005 168 T HN -0.041 nan 8.240 nan 0.000 0.442 169 L N 5.594 126.827 121.223 0.017 0.000 2.404 169 L HA 0.831 5.169 4.340 -0.004 0.000 0.272 169 L C -1.732 175.162 176.870 0.039 0.000 0.980 169 L CA -0.723 54.130 54.840 0.022 0.000 0.836 169 L CB 1.511 43.614 42.059 0.074 0.000 1.238 169 L HN 0.863 nan 8.230 nan 0.000 0.408 170 L N 5.267 126.487 121.223 -0.004 0.000 2.381 170 L HA 0.609 4.947 4.340 -0.004 0.000 0.268 170 L C -0.475 176.428 176.870 0.055 0.000 0.997 170 L CA -0.344 54.509 54.840 0.022 0.000 0.818 170 L CB 2.115 44.140 42.059 -0.057 0.000 1.310 170 L HN 0.872 nan 8.230 nan 0.000 0.416 171 M N 2.521 122.216 119.600 0.158 0.000 2.410 171 M HA 0.232 4.709 4.480 -0.004 0.000 0.376 171 M C -0.079 176.364 176.300 0.239 0.000 1.051 171 M CA -0.216 55.225 55.300 0.236 0.000 0.949 171 M CB 0.824 33.642 32.600 0.364 0.000 1.577 171 M HN 0.584 nan 8.290 nan 0.000 0.560 172 E N 2.461 122.761 120.200 0.166 0.000 2.708 172 E HA -0.188 4.159 4.350 -0.004 0.000 0.260 172 E C 0.088 176.730 176.600 0.069 0.000 0.937 172 E CA 0.986 57.462 56.400 0.128 0.000 0.953 172 E CB 0.264 30.026 29.700 0.104 0.000 0.915 172 E HN 0.357 nan 8.360 nan 0.000 0.487 173 E N 1.181 121.381 120.200 0.001 0.000 3.065 173 E HA -0.249 4.098 4.350 -0.004 0.000 0.277 173 E C -0.897 175.657 176.600 -0.078 0.000 1.008 173 E CA 0.653 57.007 56.400 -0.078 0.000 0.864 173 E CB -0.819 28.833 29.700 -0.081 0.000 1.439 173 E HN 0.393 nan 8.360 nan 0.000 0.445 174 S N 0.079 115.772 115.700 -0.013 0.000 2.586 174 S HA 0.348 4.815 4.470 -0.004 0.000 0.274 174 S C -0.068 174.312 174.600 -0.367 0.000 1.281 174 S CA -0.182 58.011 58.200 -0.012 0.000 1.035 174 S CB 1.521 64.917 63.200 0.326 0.000 0.962 174 S HN 0.339 nan 8.310 nan 0.000 0.512 175 S N 2.856 118.311 115.700 -0.408 0.000 2.437 175 S HA 0.815 5.282 4.470 -0.004 0.000 0.305 175 S C -0.557 173.567 174.600 -0.794 0.000 1.109 175 S CA -0.771 57.005 58.200 -0.707 0.000 1.099 175 S CB -0.014 62.928 63.200 -0.430 0.000 1.004 175 S HN 0.613 nan 8.310 nan 0.000 0.475 176 F N -0.793 118.819 119.950 -0.563 0.000 2.715 176 F HA 0.775 5.300 4.527 -0.004 0.000 0.318 176 F C -0.478 175.088 175.800 -0.390 0.000 1.141 176 F CA -1.322 56.249 58.000 -0.715 0.000 0.950 176 F CB 0.987 39.289 39.000 -1.163 0.000 1.374 176 F HN 0.392 nan 8.300 nan 0.000 0.477 177 S N 0.362 116.107 115.700 0.075 0.000 2.457 177 S HA 0.207 4.674 4.470 -0.004 0.000 0.289 177 S C -0.663 174.037 174.600 0.166 0.000 1.163 177 S CA -0.599 57.649 58.200 0.080 0.000 1.078 177 S CB 0.856 64.074 63.200 0.030 0.000 0.987 177 S HN 0.615 nan 8.310 nan 0.000 0.482 178 E N 2.891 123.197 120.200 0.177 0.000 2.001 178 E HA 0.174 4.522 4.350 -0.004 0.000 0.279 178 E C 0.160 176.841 176.600 0.135 0.000 1.045 178 E CA -0.209 56.306 56.400 0.191 0.000 0.833 178 E CB 0.301 30.151 29.700 0.251 0.000 1.077 178 E HN 0.475 nan 8.360 nan 0.000 0.397 179 K N 2.601 123.073 120.400 0.120 0.000 2.284 179 K HA 0.051 4.369 4.320 -0.004 0.000 0.198 179 K C -0.277 176.381 176.600 0.097 0.000 1.048 179 K CA 0.824 57.166 56.287 0.092 0.000 0.987 179 K CB 0.277 32.822 32.500 0.076 0.000 0.800 179 K HN 0.554 nan 8.250 nan 0.000 0.486 180 D N -3.160 117.319 120.400 0.130 0.000 2.713 180 D HA 0.180 4.818 4.640 -0.004 0.000 0.306 180 D C -0.071 176.309 176.300 0.133 0.000 1.299 180 D CA -0.895 53.169 54.000 0.106 0.000 0.823 180 D CB 0.481 41.324 40.800 0.072 0.000 1.353 180 D HN -0.124 nan 8.370 nan 0.000 0.447 181 G N -1.214 107.603 108.800 0.028 0.000 3.690 181 G HA2 0.101 4.059 3.960 -0.004 0.000 0.283 181 G HA3 0.101 4.059 3.960 -0.004 0.000 0.283 181 G C 0.485 175.255 174.900 -0.216 0.000 1.057 181 G CA -0.407 44.620 45.100 -0.121 0.000 0.821 181 G HN 0.417 nan 8.290 nan 0.000 0.526 182 K N 0.413 120.784 120.400 -0.048 0.000 2.288 182 K HA -0.033 4.285 4.320 -0.004 0.000 0.201 182 K C 2.115 178.722 176.600 0.011 0.000 1.048 182 K CA 0.542 56.823 56.287 -0.011 0.000 0.956 182 K CB -0.191 32.332 32.500 0.038 0.000 0.746 182 K HN 0.576 nan 8.250 nan 0.000 0.461 183 W N 1.841 123.117 121.300 -0.041 0.000 2.355 183 W HA -0.138 4.520 4.660 -0.004 0.000 0.309 183 W C 1.425 177.902 176.519 -0.069 0.000 1.206 183 W CA 0.411 57.719 57.345 -0.061 0.000 1.284 183 W CB -1.031 28.363 29.460 -0.110 0.000 1.145 183 W HN -0.015 nan 8.180 nan 0.000 0.502 184 L N 0.584 121.065 121.223 -1.237 0.000 2.046 184 L HA -0.252 4.085 4.340 -0.004 0.000 0.208 184 L C 2.948 179.576 176.870 -0.404 0.000 1.077 184 L CA 2.480 56.687 54.840 -1.055 0.000 0.747 184 L CB -0.871 40.392 42.059 -1.326 0.000 0.896 184 L HN 0.073 nan 8.230 nan 0.000 0.432 185 H N -0.299 118.552 119.070 -0.364 0.000 2.353 185 H HA -0.246 4.307 4.556 -0.004 0.000 0.300 185 H C 2.097 177.363 175.328 -0.102 0.000 1.090 185 H CA 2.041 57.972 56.048 -0.195 0.000 1.327 185 H CB 0.230 29.901 29.762 -0.153 0.000 1.383 185 H HN 0.273 nan 8.280 nan 0.000 0.508 186 E N 0.230 120.426 120.200 -0.008 0.000 2.110 186 E HA -0.118 4.229 4.350 -0.004 0.000 0.193 186 E C 2.222 178.835 176.600 0.022 0.000 0.988 186 E CA 1.152 57.583 56.400 0.051 0.000 0.804 186 E CB -0.372 29.390 29.700 0.103 0.000 0.745 186 E HN 0.575 nan 8.360 nan 0.000 0.458 187 L N -0.202 121.010 121.223 -0.018 0.000 2.017 187 L HA -0.143 4.194 4.340 -0.004 0.000 0.208 187 L C 2.508 179.336 176.870 -0.070 0.000 1.073 187 L CA 1.126 55.965 54.840 -0.002 0.000 0.745 187 L CB -0.642 41.431 42.059 0.022 0.000 0.894 187 L HN 0.252 nan 8.230 nan 0.000 0.432 188 A N -0.708 122.014 122.820 -0.163 0.000 1.948 188 A HA -0.285 4.033 4.320 -0.004 0.000 0.220 188 A C 2.162 179.592 177.584 -0.256 0.000 1.177 188 A CA 1.830 53.742 52.037 -0.208 0.000 0.636 188 A CB -0.445 18.381 19.000 -0.290 0.000 0.815 188 A HN 0.534 nan 8.150 nan 0.000 0.449 189 Q N -2.462 117.137 119.800 -0.335 0.000 2.354 189 Q HA -0.007 4.331 4.340 -0.004 0.000 0.203 189 Q C 1.022 176.660 176.000 -0.604 0.000 0.933 189 Q CA 0.897 56.409 55.803 -0.485 0.000 0.901 189 Q CB 0.179 28.567 28.738 -0.582 0.000 1.007 189 Q HN 0.858 nan 8.270 nan 0.000 0.495 190 H N -2.262 116.759 119.070 -0.082 0.000 3.643 190 H HA 0.161 4.715 4.556 -0.004 0.000 0.256 190 H C -0.186 175.122 175.328 -0.033 0.000 1.107 190 H CA -0.147 55.871 56.048 -0.050 0.000 1.175 190 H CB 0.612 30.349 29.762 -0.042 0.000 1.519 190 H HN 0.079 nan 8.280 nan 0.000 0.565 191 N N 0.572 119.309 118.700 0.062 0.000 2.499 191 N HA 0.089 4.827 4.740 -0.004 0.000 0.281 191 N C 0.554 176.077 175.510 0.020 0.000 1.098 191 N CA 0.309 53.386 53.050 0.046 0.000 0.979 191 N CB 1.515 40.031 38.487 0.048 0.000 1.121 191 N HN -0.097 nan 8.380 nan 0.000 0.466 192 T N -0.423 114.145 114.554 0.023 0.000 2.969 192 T HA 0.052 4.400 4.350 -0.004 0.000 0.258 192 T C 1.026 175.735 174.700 0.014 0.000 0.962 192 T CA 0.202 62.309 62.100 0.012 0.000 0.903 192 T CB 0.074 68.948 68.868 0.009 0.000 1.177 192 T HN 0.632 nan 8.240 nan 0.000 0.511 193 S N 0.483 116.195 115.700 0.020 0.000 2.511 193 S HA 0.317 4.784 4.470 -0.004 0.000 0.214 193 S C 0.491 175.104 174.600 0.022 0.000 0.997 193 S CA -0.437 57.774 58.200 0.017 0.000 0.908 193 S CB -0.157 63.053 63.200 0.016 0.000 0.803 193 S HN 0.186 nan 8.310 nan 0.000 0.504 194 L N 3.091 124.333 121.223 0.033 0.000 2.667 194 L HA 0.079 4.417 4.340 -0.004 0.000 0.278 194 L C 1.066 177.959 176.870 0.038 0.000 1.217 194 L CA 0.871 55.737 54.840 0.043 0.000 0.935 194 L CB -0.175 41.922 42.059 0.063 0.000 1.193 194 L HN 0.296 nan 8.230 nan 0.000 0.493 195 E N 2.540 122.759 120.200 0.031 0.000 2.256 195 E HA 0.144 4.492 4.350 -0.004 0.000 0.198 195 E C -0.506 176.113 176.600 0.032 0.000 0.908 195 E CA 0.289 56.704 56.400 0.025 0.000 0.915 195 E CB 0.882 30.588 29.700 0.010 0.000 0.890 195 E HN 0.428 nan 8.360 nan 0.000 0.484 196 V N 1.186 121.118 119.914 0.029 0.000 2.623 196 V HA 0.543 4.660 4.120 -0.004 0.000 0.304 196 V C -1.967 174.150 176.094 0.040 0.000 1.054 196 V CA -0.932 61.382 62.300 0.025 0.000 0.882 196 V CB 1.809 33.629 31.823 -0.004 0.000 1.002 196 V HN 0.030 nan 8.190 nan 0.000 0.424 197 L N 5.767 127.018 121.223 0.048 0.000 2.376 197 L HA 0.753 5.090 4.340 -0.004 0.000 0.275 197 L C -1.001 175.871 176.870 0.003 0.000 0.987 197 L CA -0.012 54.881 54.840 0.088 0.000 0.828 197 L CB 1.793 43.938 42.059 0.143 0.000 1.249 197 L HN 0.886 nan 8.230 nan 0.000 0.409 198 N N 4.953 123.686 118.700 0.055 0.000 2.581 198 N HA 0.321 5.059 4.740 -0.004 0.000 0.279 198 N C -1.511 174.087 175.510 0.148 0.000 1.124 198 N CA -0.365 52.670 53.050 -0.026 0.000 0.833 198 N CB 0.687 39.166 38.487 -0.014 0.000 1.338 198 N HN 0.474 nan 8.380 nan 0.000 0.533 199 F N 2.759 122.806 119.950 0.162 0.000 2.739 199 F HA 0.372 4.897 4.527 -0.004 0.000 0.345 199 F C 0.823 176.755 175.800 0.221 0.000 1.373 199 F CA -0.945 57.206 58.000 0.252 0.000 1.160 199 F CB -0.251 39.016 39.000 0.446 0.000 1.137 199 F HN 0.209 nan 8.300 nan 0.000 0.524 200 Y N 2.117 122.400 120.300 -0.029 0.000 2.081 200 Y HA -0.113 4.434 4.550 -0.004 0.000 0.280 200 Y C 1.396 177.242 175.900 -0.090 0.000 1.163 200 Y CA 1.680 59.709 58.100 -0.118 0.000 1.135 200 Y CB 0.070 38.456 38.460 -0.123 0.000 0.970 200 Y HN 0.438 nan 8.280 nan 0.000 0.498 201 M N 1.736 121.246 119.600 -0.149 0.000 3.157 201 M HA 0.269 4.747 4.480 -0.004 0.000 0.213 201 M C -1.021 175.166 176.300 -0.188 0.000 1.177 201 M CA -0.150 54.935 55.300 -0.358 0.000 1.109 201 M CB -0.326 32.019 32.600 -0.424 0.000 1.262 201 M HN 0.180 nan 8.290 nan 0.000 0.570 202 T N -1.393 113.109 114.554 -0.087 0.000 2.933 202 T HA 0.546 4.894 4.350 -0.004 0.000 0.305 202 T C -0.813 173.808 174.700 -0.130 0.000 1.092 202 T CA -0.939 61.092 62.100 -0.116 0.000 1.008 202 T CB 1.445 70.344 68.868 0.051 0.000 1.102 202 T HN 0.382 nan 8.240 nan 0.000 0.469 203 E N 2.631 122.657 120.200 -0.290 0.000 1.932 203 E HA 0.276 4.623 4.350 -0.004 0.000 0.275 203 E C -1.227 175.218 176.600 -0.259 0.000 1.159 203 E CA -0.189 56.083 56.400 -0.214 0.000 0.905 203 E CB -0.066 29.494 29.700 -0.232 0.000 1.059 203 E HN 0.544 nan 8.360 nan 0.000 0.400 204 F N 0.773 120.761 119.950 0.064 0.000 2.449 204 F HA 0.387 4.911 4.527 -0.004 0.000 0.342 204 F C 0.851 176.650 175.800 -0.001 0.000 1.127 204 F CA -0.772 57.263 58.000 0.059 0.000 0.975 204 F CB 1.933 40.930 39.000 -0.005 0.000 1.146 204 F HN 0.483 nan 8.300 nan 0.000 0.444 205 A N 2.747 125.692 122.820 0.209 0.000 2.382 205 A HA 0.213 4.531 4.320 -0.004 0.000 0.228 205 A C 1.208 178.874 177.584 0.135 0.000 1.217 205 A CA 0.041 52.158 52.037 0.134 0.000 0.923 205 A CB -0.015 19.038 19.000 0.087 0.000 0.979 205 A HN 0.712 nan 8.150 nan 0.000 0.515 206 K N 0.497 120.994 120.400 0.162 0.000 2.387 206 K HA 0.309 4.627 4.320 -0.004 0.000 0.203 206 K C 0.058 176.687 176.600 0.049 0.000 1.030 206 K CA -0.086 56.264 56.287 0.104 0.000 1.099 206 K CB 0.316 32.879 32.500 0.105 0.000 0.863 206 K HN 0.692 nan 8.250 nan 0.000 0.529 207 I N -1.835 118.758 120.570 0.039 0.000 2.566 207 I HA 0.340 4.507 4.170 -0.004 0.000 0.303 207 I C -0.066 176.119 176.117 0.114 0.000 0.983 207 I CA -0.767 60.489 61.300 -0.073 0.000 1.235 207 I CB 1.761 39.580 38.000 -0.303 0.000 1.386 207 I HN -0.219 nan 8.210 nan 0.000 0.494 208 S N 5.171 120.887 115.700 0.027 0.000 2.442 208 S HA 0.473 4.940 4.470 -0.004 0.000 0.297 208 S C -1.362 173.182 174.600 -0.092 0.000 1.131 208 S CA -1.644 56.566 58.200 0.015 0.000 1.092 208 S CB 1.179 64.361 63.200 -0.031 0.000 0.998 208 S HN 0.636 nan 8.310 nan 0.000 0.478 209 P HA -0.108 nan 4.420 nan 0.000 0.220 209 P C 0.935 178.043 177.300 -0.321 0.000 1.148 209 P CA 0.865 63.555 63.100 -0.683 0.000 0.803 209 P CB 0.136 31.356 31.700 -0.799 0.000 0.782 210 K N 0.344 120.634 120.400 -0.183 0.000 2.063 210 K HA -0.146 4.171 4.320 -0.004 0.000 0.208 210 K C 1.708 178.256 176.600 -0.087 0.000 1.048 210 K CA 1.189 57.412 56.287 -0.107 0.000 0.928 210 K CB -1.051 31.411 32.500 -0.063 0.000 0.713 210 K HN 0.217 nan 8.250 nan 0.000 0.442 211 D N 0.790 121.138 120.400 -0.087 0.000 2.144 211 D HA -0.128 4.509 4.640 -0.004 0.000 0.200 211 D C 1.958 178.207 176.300 -0.085 0.000 0.978 211 D CA 0.580 54.524 54.000 -0.093 0.000 0.833 211 D CB -0.060 40.673 40.800 -0.113 0.000 0.961 211 D HN 0.018 nan 8.370 nan 0.000 0.470 212 L N 1.361 122.532 121.223 -0.087 0.000 2.056 212 L HA -0.105 4.233 4.340 -0.004 0.000 0.207 212 L C 2.183 179.112 176.870 0.098 0.000 1.078 212 L CA 1.715 56.531 54.840 -0.040 0.000 0.749 212 L CB -0.523 41.442 42.059 -0.156 0.000 0.901 212 L HN -0.048 nan 8.230 nan 0.000 0.433 213 E N -1.368 118.869 120.200 0.062 0.000 2.085 213 E HA -0.293 4.055 4.350 -0.004 0.000 0.194 213 E C 2.063 178.693 176.600 0.050 0.000 0.994 213 E CA 1.767 58.240 56.400 0.122 0.000 0.801 213 E CB -0.208 29.501 29.700 0.015 0.000 0.743 213 E HN 0.587 nan 8.360 nan 0.000 0.453 214 T N -0.353 114.197 114.554 -0.007 0.000 2.915 214 T HA -0.074 4.273 4.350 -0.004 0.000 0.269 214 T C 1.901 176.585 174.700 -0.026 0.000 1.071 214 T CA 1.105 63.184 62.100 -0.037 0.000 1.132 214 T CB -0.298 68.524 68.868 -0.076 0.000 0.878 214 T HN 0.232 nan 8.240 nan 0.000 0.479 215 I N 1.470 122.042 120.570 0.003 0.000 2.226 215 I HA -0.090 4.077 4.170 -0.004 0.000 0.245 215 I C 3.109 179.261 176.117 0.057 0.000 1.100 215 I CA 1.204 62.522 61.300 0.030 0.000 1.374 215 I CB -0.633 37.404 38.000 0.060 0.000 1.057 215 I HN 0.350 nan 8.210 nan 0.000 0.413 216 A N 0.699 123.581 122.820 0.103 0.000 1.933 216 A HA -0.248 4.069 4.320 -0.004 0.000 0.218 216 A C 2.394 179.951 177.584 -0.045 0.000 1.175 216 A CA 1.775 53.819 52.037 0.013 0.000 0.628 216 A CB -0.604 18.318 19.000 -0.131 0.000 0.814 216 A HN 0.316 nan 8.150 nan 0.000 0.444 217 R N -0.488 119.990 120.500 -0.037 0.000 2.115 217 R HA -0.056 4.281 4.340 -0.004 0.000 0.230 217 R C 1.322 177.598 176.300 -0.039 0.000 1.111 217 R CA 1.578 57.650 56.100 -0.048 0.000 0.976 217 R CB -0.078 30.195 30.300 -0.046 0.000 0.870 217 R HN 0.509 nan 8.270 nan 0.000 0.445 218 N N -1.279 117.403 118.700 -0.030 0.000 2.356 218 N HA 0.035 4.772 4.740 -0.004 0.000 0.178 218 N C -0.583 174.918 175.510 -0.015 0.000 1.075 218 N CA 0.346 53.380 53.050 -0.028 0.000 0.889 218 N CB 0.601 39.066 38.487 -0.037 0.000 0.999 218 N HN 0.089 nan 8.380 nan 0.000 0.464 219 C N 1.971 121.268 119.300 -0.005 0.000 2.184 219 C HA 0.373 4.831 4.460 -0.004 0.000 0.328 219 C C 1.638 176.626 174.990 -0.003 0.000 1.081 219 C CA -0.806 58.215 59.018 0.005 0.000 1.533 219 C CB -0.194 27.562 27.740 0.026 0.000 1.905 219 C HN 0.180 nan 8.230 nan 0.000 0.439 220 R N 1.065 121.559 120.500 -0.009 0.000 2.193 220 R HA -0.049 4.288 4.340 -0.004 0.000 0.229 220 R C 1.731 178.025 176.300 -0.011 0.000 1.110 220 R CA 1.015 57.106 56.100 -0.015 0.000 0.988 220 R CB -0.152 30.139 30.300 -0.016 0.000 0.871 220 R HN 0.589 nan 8.270 nan 0.000 0.458 221 S N -0.022 115.677 115.700 -0.002 0.000 2.582 221 S HA 0.174 4.641 4.470 -0.004 0.000 0.234 221 S C -0.179 174.428 174.600 0.010 0.000 0.961 221 S CA -0.552 57.649 58.200 0.001 0.000 0.953 221 S CB 0.083 63.284 63.200 0.001 0.000 0.800 221 S HN 0.068 nan 8.310 nan 0.000 0.471 222 L N 2.506 123.738 121.223 0.016 0.000 2.530 222 L HA 0.184 4.521 4.340 -0.004 0.000 0.273 222 L C 0.710 177.603 176.870 0.038 0.000 1.141 222 L CA 0.624 55.487 54.840 0.039 0.000 0.905 222 L CB 0.428 42.521 42.059 0.057 0.000 1.202 222 L HN 0.025 nan 8.230 nan 0.000 0.473 223 V N 2.602 122.542 119.914 0.042 0.000 3.151 223 V HA 0.259 4.376 4.120 -0.004 0.000 0.241 223 V C 0.644 176.772 176.094 0.057 0.000 1.173 223 V CA 0.731 63.052 62.300 0.036 0.000 1.154 223 V CB 0.581 32.414 31.823 0.016 0.000 0.898 223 V HN 0.782 nan 8.190 nan 0.000 0.473 224 S N 0.346 116.082 115.700 0.060 0.000 2.614 224 S HA 0.673 5.140 4.470 -0.004 0.000 0.288 224 S C -1.334 173.300 174.600 0.057 0.000 1.137 224 S CA -0.344 57.886 58.200 0.050 0.000 0.992 224 S CB 1.696 64.894 63.200 -0.003 0.000 1.026 224 S HN 0.432 nan 8.310 nan 0.000 0.486 225 V N 4.272 124.228 119.914 0.070 0.000 2.760 225 V HA 0.777 4.895 4.120 -0.004 0.000 0.309 225 V C -1.651 174.256 176.094 -0.311 0.000 1.077 225 V CA -0.601 61.677 62.300 -0.036 0.000 0.910 225 V CB 1.773 33.660 31.823 0.107 0.000 1.008 225 V HN 0.919 nan 8.190 nan 0.000 0.424 226 K N 4.264 124.397 120.400 -0.445 0.000 2.375 226 K HA 0.907 5.224 4.320 -0.004 0.000 0.249 226 K C -1.557 174.647 176.600 -0.661 0.000 0.942 226 K CA -0.780 55.144 56.287 -0.604 0.000 0.806 226 K CB 2.696 34.895 32.500 -0.502 0.000 1.227 226 K HN 0.614 nan 8.250 nan 0.000 0.430 227 V N 0.453 120.060 119.914 -0.512 0.000 3.206 227 V HA 0.472 4.589 4.120 -0.004 0.000 0.305 227 V C 0.204 176.251 176.094 -0.078 0.000 1.257 227 V CA -0.583 61.400 62.300 -0.529 0.000 1.057 227 V CB 2.323 33.941 31.823 -0.342 0.000 1.075 227 V HN 0.990 nan 8.190 nan 0.000 0.443 228 G N -0.249 108.594 108.800 0.072 0.000 2.783 228 G HA2 0.188 4.145 3.960 -0.004 0.000 0.182 228 G HA3 0.188 4.145 3.960 -0.004 0.000 0.182 228 G C -0.174 174.746 174.900 0.034 0.000 1.516 228 G CA 0.008 45.150 45.100 0.071 0.000 1.079 228 G HN 0.660 nan 8.290 nan 0.000 0.573 229 D N 0.509 120.928 120.400 0.032 0.000 2.870 229 D HA 0.168 4.806 4.640 -0.004 0.000 0.241 229 D C -0.078 176.336 176.300 0.191 0.000 1.234 229 D CA -0.052 54.029 54.000 0.135 0.000 0.844 229 D CB -0.547 40.335 40.800 0.136 0.000 1.051 229 D HN 0.134 nan 8.370 nan 0.000 0.469 230 F N 1.295 121.360 119.950 0.192 0.000 2.578 230 F HA -0.049 4.476 4.527 -0.004 0.000 0.376 230 F C 1.611 177.510 175.800 0.166 0.000 1.085 230 F CA -0.343 57.750 58.000 0.156 0.000 1.260 230 F CB 0.693 39.773 39.000 0.133 0.000 1.095 230 F HN -0.185 nan 8.300 nan 0.000 0.573 231 E N 3.803 124.215 120.200 0.353 0.000 2.415 231 E HA -0.050 4.297 4.350 -0.004 0.000 0.260 231 E C 0.949 177.701 176.600 0.252 0.000 1.016 231 E CA 0.170 56.729 56.400 0.264 0.000 0.924 231 E CB 0.646 30.460 29.700 0.190 0.000 0.961 231 E HN 0.550 nan 8.360 nan 0.000 0.459 232 I N 4.724 125.468 120.570 0.290 0.000 2.315 232 I HA -0.332 3.835 4.170 -0.004 0.000 0.251 232 I C 2.161 178.427 176.117 0.249 0.000 1.125 232 I CA 1.000 62.465 61.300 0.276 0.000 1.392 232 I CB -0.107 38.026 38.000 0.222 0.000 1.065 232 I HN 0.593 nan 8.210 nan 0.000 0.424 233 L N -0.266 121.130 121.223 0.288 0.000 2.131 233 L HA -0.233 4.105 4.340 -0.004 0.000 0.210 233 L C 2.166 179.078 176.870 0.069 0.000 1.092 233 L CA 1.333 56.278 54.840 0.174 0.000 0.759 233 L CB -0.509 41.614 42.059 0.108 0.000 0.903 233 L HN 0.313 nan 8.230 nan 0.000 0.435 234 E N -0.271 119.953 120.200 0.039 0.000 2.478 234 E HA -0.107 4.240 4.350 -0.004 0.000 0.198 234 E C 1.599 178.120 176.600 -0.131 0.000 1.046 234 E CA 0.438 56.805 56.400 -0.054 0.000 0.870 234 E CB 0.159 29.807 29.700 -0.086 0.000 0.818 234 E HN 0.521 nan 8.360 nan 0.000 0.527 235 L N 0.073 121.234 121.223 -0.103 0.000 2.667 235 L HA 0.065 4.402 4.340 -0.004 0.000 0.232 235 L C 1.699 178.497 176.870 -0.120 0.000 1.138 235 L CA -0.224 54.486 54.840 -0.217 0.000 0.921 235 L CB 0.517 42.335 42.059 -0.401 0.000 1.180 235 L HN 0.001 nan 8.230 nan 0.000 0.487 236 V N 0.689 120.610 119.914 0.011 0.000 2.332 236 V HA -0.241 3.876 4.120 -0.004 0.000 0.248 236 V C 2.568 178.678 176.094 0.027 0.000 1.055 236 V CA 2.342 64.684 62.300 0.070 0.000 1.038 236 V CB -0.857 30.984 31.823 0.030 0.000 0.651 236 V HN 0.621 nan 8.190 nan 0.000 0.450 237 G N -0.942 107.849 108.800 -0.016 0.000 2.418 237 G HA2 -0.317 3.640 3.960 -0.004 0.000 0.217 237 G HA3 -0.317 3.640 3.960 -0.004 0.000 0.217 237 G C 1.547 176.424 174.900 -0.038 0.000 1.158 237 G CA 0.976 46.059 45.100 -0.028 0.000 0.771 237 G HN 0.508 nan 8.290 nan 0.000 0.545 238 F N 0.985 120.813 119.950 -0.203 0.000 2.095 238 F HA -0.023 4.501 4.527 -0.004 0.000 0.298 238 F C 2.317 177.997 175.800 -0.200 0.000 1.104 238 F CA 1.488 59.337 58.000 -0.251 0.000 1.232 238 F CB -0.346 38.414 39.000 -0.400 0.000 0.987 238 F HN 0.150 nan 8.300 nan 0.000 0.475 239 F N 0.714 120.551 119.950 -0.188 0.000 2.134 239 F HA -0.163 4.361 4.527 -0.004 0.000 0.299 239 F C 2.380 178.009 175.800 -0.286 0.000 1.097 239 F CA 1.348 59.165 58.000 -0.305 0.000 1.264 239 F CB -0.490 38.388 39.000 -0.203 0.000 1.001 239 F HN -0.136 nan 8.300 nan 0.000 0.479 240 K N 0.144 120.528 120.400 -0.027 0.000 2.097 240 K HA -0.147 4.170 4.320 -0.004 0.000 0.206 240 K C 2.156 178.686 176.600 -0.117 0.000 1.049 240 K CA 1.216 57.462 56.287 -0.069 0.000 0.933 240 K CB -0.331 32.136 32.500 -0.054 0.000 0.717 240 K HN 0.241 nan 8.250 nan 0.000 0.442 241 A N 1.022 123.738 122.820 -0.174 0.000 2.021 241 A HA 0.151 4.469 4.320 -0.004 0.000 0.216 241 A C 1.588 179.035 177.584 -0.228 0.000 1.163 241 A CA 0.722 52.654 52.037 -0.175 0.000 0.676 241 A CB 0.010 18.919 19.000 -0.151 0.000 0.818 241 A HN 0.229 nan 8.150 nan 0.000 0.453 242 A N 0.297 122.887 122.820 -0.382 0.000 3.051 242 A HA 0.548 4.866 4.320 -0.004 0.000 0.257 242 A C 1.582 179.061 177.584 -0.174 0.000 1.785 242 A CA 0.595 52.422 52.037 -0.351 0.000 1.420 242 A CB -1.064 17.542 19.000 -0.657 0.000 1.063 242 A HN 0.868 nan 8.150 nan 0.000 0.630 243 A N 1.103 123.850 122.820 -0.123 0.000 1.948 243 A HA -0.196 4.121 4.320 -0.004 0.000 0.220 243 A C 1.657 179.205 177.584 -0.061 0.000 1.177 243 A CA 1.900 53.888 52.037 -0.082 0.000 0.636 243 A CB -0.298 18.662 19.000 -0.067 0.000 0.815 243 A HN 0.598 nan 8.150 nan 0.000 0.449 244 N N -0.803 117.866 118.700 -0.051 0.000 2.270 244 N HA 0.147 4.885 4.740 -0.004 0.000 0.198 244 N C -0.178 175.324 175.510 -0.013 0.000 1.117 244 N CA -0.208 52.824 53.050 -0.030 0.000 0.845 244 N CB -0.209 38.266 38.487 -0.021 0.000 0.980 244 N HN 0.363 nan 8.380 nan 0.000 0.486 245 L N 1.523 122.740 121.223 -0.010 0.000 2.559 245 L HA -0.056 4.282 4.340 -0.004 0.000 0.274 245 L C 1.168 178.060 176.870 0.037 0.000 1.205 245 L CA 0.961 55.827 54.840 0.042 0.000 0.907 245 L CB 0.464 42.577 42.059 0.090 0.000 1.153 245 L HN 0.171 nan 8.230 nan 0.000 0.490 246 E N 2.294 122.524 120.200 0.049 0.000 2.434 246 E HA 0.118 4.466 4.350 -0.004 0.000 0.207 246 E C -0.197 176.432 176.600 0.049 0.000 0.929 246 E CA 0.047 56.466 56.400 0.030 0.000 1.001 246 E CB 0.769 30.478 29.700 0.014 0.000 1.016 246 E HN 0.650 nan 8.360 nan 0.000 0.502 247 E N 0.440 120.690 120.200 0.083 0.000 2.272 247 E HA 0.418 4.766 4.350 -0.004 0.000 0.269 247 E C -1.858 174.853 176.600 0.186 0.000 0.877 247 E CA -0.636 55.810 56.400 0.077 0.000 0.755 247 E CB 1.574 31.276 29.700 0.004 0.000 1.192 247 E HN -0.069 nan 8.360 nan 0.000 0.422 248 F N 4.469 124.440 119.950 0.036 0.000 2.588 248 F HA 0.567 5.092 4.527 -0.004 0.000 0.318 248 F C -1.694 174.098 175.800 -0.013 0.000 1.155 248 F CA -0.479 57.576 58.000 0.091 0.000 0.967 248 F CB 1.061 40.257 39.000 0.326 0.000 1.236 248 F HN 0.599 nan 8.300 nan 0.000 0.455 249 C N 3.885 122.685 119.300 -0.833 0.000 2.802 249 C HA 1.018 5.475 4.460 -0.004 0.000 0.307 249 C C 0.526 175.049 174.990 -0.778 0.000 1.222 249 C CA -0.027 58.581 59.018 -0.684 0.000 1.580 249 C CB 0.783 27.945 27.740 -0.963 0.000 2.119 249 C HN 1.413 nan 8.230 nan 0.000 0.479 250 G N 0.929 109.650 108.800 -0.133 0.000 2.443 250 G HA2 0.497 4.454 3.960 -0.004 0.000 0.209 250 G HA3 0.497 4.454 3.960 -0.004 0.000 0.209 250 G C 0.150 175.217 174.900 0.278 0.000 1.176 250 G CA 0.236 45.394 45.100 0.098 0.000 1.074 250 G HN 2.746 nan 8.290 nan 0.000 0.577 251 G N -1.461 107.530 108.800 0.318 0.000 2.877 251 G HA2 0.352 4.310 3.960 -0.004 0.000 0.279 251 G HA3 0.352 4.310 3.960 -0.004 0.000 0.279 251 G C 0.156 175.273 174.900 0.362 0.000 1.431 251 G CA 1.038 46.403 45.100 0.441 0.000 0.883 251 G HN 2.281 nan 8.290 nan 0.000 0.547 252 S N -0.945 114.975 115.700 0.367 0.000 2.594 252 S HA 0.655 5.123 4.470 -0.004 0.000 0.296 252 S C -0.169 174.605 174.600 0.291 0.000 1.124 252 S CA -0.695 57.739 58.200 0.390 0.000 1.011 252 S CB 0.834 64.221 63.200 0.312 0.000 1.016 252 S HN 0.799 nan 8.310 nan 0.000 0.485 253 L N 5.482 126.859 121.223 0.257 0.000 2.272 253 L HA 0.482 4.820 4.340 -0.004 0.000 0.284 253 L C -0.307 176.694 176.870 0.218 0.000 1.045 253 L CA -0.495 54.410 54.840 0.109 0.000 0.842 253 L CB 0.648 42.664 42.059 -0.070 0.000 1.224 253 L HN 0.585 nan 8.230 nan 0.000 0.430 254 N N 4.237 123.119 118.700 0.304 0.000 2.558 254 N HA 0.149 4.886 4.740 -0.004 0.000 0.242 254 N C -0.501 175.151 175.510 0.237 0.000 0.979 254 N CA -0.444 52.731 53.050 0.207 0.000 0.931 254 N CB 1.603 40.167 38.487 0.130 0.000 1.122 254 N HN 0.614 nan 8.380 nan 0.000 0.508 255 E N 1.212 121.533 120.200 0.201 0.000 2.331 255 E HA 0.186 4.533 4.350 -0.004 0.000 0.272 255 E C -0.888 175.754 176.600 0.070 0.000 1.036 255 E CA -0.589 55.903 56.400 0.153 0.000 0.864 255 E CB 0.924 30.712 29.700 0.147 0.000 1.035 255 E HN 0.407 nan 8.360 nan 0.000 0.408 256 D N 3.806 124.223 120.400 0.029 0.000 2.619 256 D HA 0.124 4.761 4.640 -0.004 0.000 0.241 256 D C 0.989 177.293 176.300 0.006 0.000 1.087 256 D CA -0.754 53.253 54.000 0.012 0.000 0.851 256 D CB 1.233 42.032 40.800 -0.002 0.000 1.474 256 D HN 0.346 nan 8.370 nan 0.000 0.478 257 I N 1.600 122.175 120.570 0.009 0.000 2.335 257 I HA -0.146 4.021 4.170 -0.004 0.000 0.251 257 I C 2.521 178.637 176.117 -0.002 0.000 1.129 257 I CA 1.217 62.521 61.300 0.008 0.000 1.402 257 I CB -1.694 36.312 38.000 0.009 0.000 1.069 257 I HN 0.722 nan 8.210 nan 0.000 0.424 258 G N 1.852 110.648 108.800 -0.008 0.000 2.553 258 G HA2 -0.243 3.714 3.960 -0.004 0.000 0.218 258 G HA3 -0.243 3.714 3.960 -0.004 0.000 0.218 258 G C 0.991 175.877 174.900 -0.023 0.000 1.195 258 G CA 0.459 45.550 45.100 -0.015 0.000 0.779 258 G HN 0.362 nan 8.290 nan 0.000 0.577 259 M N 2.133 121.711 119.600 -0.037 0.000 2.080 259 M HA 0.222 4.700 4.480 -0.004 0.000 0.350 259 M C -1.629 174.646 176.300 -0.041 0.000 1.143 259 M CA -1.733 53.536 55.300 -0.052 0.000 1.064 259 M CB 2.271 34.815 32.600 -0.093 0.000 1.429 259 M HN 0.013 nan 8.290 nan 0.000 0.418 260 P HA -0.104 nan 4.420 nan 0.000 0.219 260 P C 0.156 177.456 177.300 -0.001 0.000 1.150 260 P CA 1.283 64.381 63.100 -0.003 0.000 0.814 260 P CB 0.318 32.019 31.700 0.001 0.000 0.787 261 E N -0.263 119.925 120.200 -0.019 0.000 2.939 261 E HA 0.095 4.442 4.350 -0.004 0.000 0.215 261 E C 1.374 177.935 176.600 -0.066 0.000 1.025 261 E CA -0.291 56.100 56.400 -0.015 0.000 1.259 261 E CB 0.183 29.879 29.700 -0.008 0.000 1.228 261 E HN 0.119 nan 8.360 nan 0.000 0.443 262 K N 0.086 120.402 120.400 -0.141 0.000 2.059 262 K HA -0.226 4.092 4.320 -0.004 0.000 0.212 262 K C 0.562 176.875 176.600 -0.477 0.000 1.050 262 K CA 1.722 57.791 56.287 -0.362 0.000 0.927 262 K CB 0.110 32.269 32.500 -0.569 0.000 0.714 262 K HN 0.199 nan 8.250 nan 0.000 0.447 263 Y N -1.414 118.886 120.300 -0.000 0.000 2.926 263 Y HA 0.022 4.569 4.550 -0.004 0.000 0.207 263 Y C 1.636 177.521 175.900 -0.025 0.000 0.927 263 Y CA -0.052 58.041 58.100 -0.012 0.000 1.055 263 Y CB -0.017 38.444 38.460 0.002 0.000 1.056 263 Y HN -0.165 nan 8.280 nan 0.000 0.462 264 M N -1.345 118.354 119.600 0.164 0.000 2.816 264 M HA -0.332 4.145 4.480 -0.004 0.000 0.152 264 M C -0.367 175.954 176.300 0.034 0.000 0.690 264 M CA 1.279 56.621 55.300 0.070 0.000 0.578 264 M CB -2.009 30.618 32.600 0.045 0.000 2.121 264 M HN 0.495 nan 8.290 nan 0.000 0.269 265 N N 0.153 118.865 118.700 0.021 0.000 2.480 265 N HA 0.354 5.092 4.740 -0.004 0.000 0.281 265 N C -0.835 174.640 175.510 -0.058 0.000 1.381 265 N CA -0.144 52.897 53.050 -0.015 0.000 0.903 265 N CB 0.489 38.965 38.487 -0.018 0.000 1.274 265 N HN 0.159 nan 8.380 nan 0.000 0.505 266 L N 1.708 122.867 121.223 -0.108 0.000 2.319 266 L HA 0.280 4.618 4.340 -0.004 0.000 0.280 266 L C 0.396 177.057 176.870 -0.349 0.000 1.099 266 L CA -0.577 54.076 54.840 -0.312 0.000 0.828 266 L CB 0.666 42.361 42.059 -0.607 0.000 1.150 266 L HN 0.011 nan 8.230 nan 0.000 0.442 267 V N 1.803 121.525 119.914 -0.320 0.000 2.356 267 V HA 0.328 4.446 4.120 -0.004 0.000 0.258 267 V C 0.022 175.860 176.094 -0.426 0.000 1.065 267 V CA -0.514 61.633 62.300 -0.254 0.000 0.935 267 V CB -0.701 31.041 31.823 -0.135 0.000 1.061 267 V HN 0.376 nan 8.190 nan 0.000 0.484 268 F N 5.156 124.900 119.950 -0.343 0.000 2.385 268 F HA 0.562 5.087 4.527 -0.004 0.000 0.336 268 F C -1.581 173.965 175.800 -0.423 0.000 1.100 268 F CA -2.354 55.317 58.000 -0.548 0.000 1.116 268 F CB 1.394 40.003 39.000 -0.652 0.000 1.166 268 F HN 0.369 nan 8.300 nan 0.000 0.511 269 P HA -0.017 nan 4.420 nan 0.000 0.264 269 P C -0.926 176.263 177.300 -0.184 0.000 1.183 269 P CA 0.009 63.046 63.100 -0.106 0.000 0.763 269 P CB 0.331 32.008 31.700 -0.039 0.000 0.807 270 R N 3.745 124.155 120.500 -0.150 0.000 2.878 270 R HA 0.199 4.536 4.340 -0.004 0.000 0.239 270 R C 0.601 176.830 176.300 -0.119 0.000 1.515 270 R CA 0.082 56.087 56.100 -0.157 0.000 1.210 270 R CB -0.155 30.086 30.300 -0.098 0.000 1.209 270 R HN 0.541 nan 8.270 nan 0.000 0.610 271 K N 0.097 120.413 120.400 -0.139 0.000 1.130 271 K HA 0.017 4.334 4.320 -0.004 0.000 0.075 271 K C -0.056 176.505 176.600 -0.066 0.000 2.356 271 K CA -0.174 56.069 56.287 -0.073 0.000 0.970 271 K CB 0.098 32.569 32.500 -0.049 0.000 2.609 271 K HN 0.286 nan 8.250 nan 0.000 0.319 272 L N 2.819 123.970 121.223 -0.121 0.000 2.667 272 L HA -0.109 4.228 4.340 -0.004 0.000 0.278 272 L C 0.845 177.707 176.870 -0.012 0.000 1.217 272 L CA 1.255 56.039 54.840 -0.092 0.000 0.935 272 L CB 0.269 42.184 42.059 -0.239 0.000 1.193 272 L HN 0.732 nan 8.230 nan 0.000 0.493 273 C N 1.802 121.124 119.300 0.036 0.000 4.150 273 C HA 0.403 4.861 4.460 -0.004 0.000 0.330 273 C C 0.449 175.463 174.990 0.039 0.000 1.905 273 C CA -0.824 58.232 59.018 0.064 0.000 1.724 273 C CB -0.135 27.631 27.740 0.043 0.000 3.096 273 C HN 0.829 nan 8.230 nan 0.000 0.601 274 R N 1.751 122.267 120.500 0.028 0.000 2.500 274 R HA 0.811 5.149 4.340 -0.004 0.000 0.299 274 R C -1.006 175.298 176.300 0.007 0.000 1.038 274 R CA -0.019 56.084 56.100 0.005 0.000 0.903 274 R CB 1.554 31.849 30.300 -0.008 0.000 1.177 274 R HN 0.706 nan 8.270 nan 0.000 0.455 275 L N -1.085 120.133 121.223 -0.007 0.000 2.671 275 L HA 1.000 5.337 4.340 -0.004 0.000 0.259 275 L C -1.303 175.559 176.870 -0.012 0.000 1.021 275 L CA -0.850 53.995 54.840 0.008 0.000 0.871 275 L CB 2.525 44.598 42.059 0.023 0.000 1.472 275 L HN 0.567 nan 8.230 nan 0.000 0.410 276 G N 2.019 110.831 108.800 0.019 0.000 2.608 276 G HA2 0.529 4.487 3.960 -0.004 0.000 0.285 276 G HA3 0.529 4.487 3.960 -0.004 0.000 0.285 276 G C -1.582 173.390 174.900 0.121 0.000 1.407 276 G CA -0.536 44.588 45.100 0.039 0.000 1.276 276 G HN 0.595 nan 8.290 nan 0.000 0.587 277 L N 2.163 123.457 121.223 0.119 0.000 2.264 277 L HA 0.424 4.762 4.340 -0.004 0.000 0.289 277 L C 0.541 177.480 176.870 0.114 0.000 1.044 277 L CA -0.682 54.268 54.840 0.183 0.000 0.807 277 L CB 1.619 43.766 42.059 0.146 0.000 1.192 277 L HN 0.410 nan 8.230 nan 0.000 0.425 278 S N 2.150 117.916 115.700 0.109 0.000 2.565 278 S HA 0.246 4.713 4.470 -0.004 0.000 0.276 278 S C -0.029 174.528 174.600 -0.072 0.000 1.326 278 S CA -0.232 57.903 58.200 -0.108 0.000 1.045 278 S CB 0.270 63.291 63.200 -0.298 0.000 0.918 278 S HN 0.641 nan 8.310 nan 0.000 0.505 279 Y N -2.033 118.340 120.300 0.121 0.000 4.907 279 Y HA -0.248 4.300 4.550 -0.004 0.000 0.246 279 Y C 0.590 176.523 175.900 0.055 0.000 0.968 279 Y CA 0.378 58.529 58.100 0.086 0.000 1.961 279 Y CB -2.398 36.110 38.460 0.081 0.000 1.487 279 Y HN 0.713 nan 8.280 nan 0.000 0.575 280 M N 1.793 121.458 119.600 0.108 0.000 2.390 280 M HA 0.316 4.794 4.480 -0.004 0.000 0.353 280 M C 1.002 177.325 176.300 0.037 0.000 1.623 280 M CA 1.265 56.591 55.300 0.043 0.000 1.065 280 M CB 0.139 32.734 32.600 -0.009 0.000 2.025 280 M HN 0.381 nan 8.290 nan 0.000 0.461 281 G N 5.115 113.940 108.800 0.043 0.000 2.568 281 G HA2 0.521 4.479 3.960 -0.004 0.000 0.293 281 G HA3 0.521 4.479 3.960 -0.004 0.000 0.293 281 G C -2.498 172.409 174.900 0.013 0.000 1.347 281 G CA -1.112 44.014 45.100 0.043 0.000 1.039 281 G HN 0.567 nan 8.290 nan 0.000 0.523 282 P HA -0.015 nan 4.420 nan 0.000 0.222 282 P C 1.408 178.717 177.300 0.014 0.000 1.153 282 P CA 0.603 63.714 63.100 0.019 0.000 0.798 282 P CB 0.263 31.986 31.700 0.038 0.000 0.796 283 N N 0.229 118.947 118.700 0.030 0.000 2.331 283 N HA -0.102 4.635 4.740 -0.004 0.000 0.180 283 N C 1.341 176.868 175.510 0.029 0.000 1.019 283 N CA 1.045 54.117 53.050 0.038 0.000 0.881 283 N CB -0.252 38.270 38.487 0.059 0.000 0.972 283 N HN 0.408 nan 8.380 nan 0.000 0.435 284 E N 0.760 120.969 120.200 0.015 0.000 2.431 284 E HA 0.010 4.357 4.350 -0.004 0.000 0.200 284 E C 1.810 178.338 176.600 -0.119 0.000 0.995 284 E CA -0.128 56.264 56.400 -0.013 0.000 0.915 284 E CB -0.377 29.308 29.700 -0.024 0.000 0.930 284 E HN 0.257 nan 8.360 nan 0.000 0.496 285 M N 1.925 121.438 119.600 -0.145 0.000 2.116 285 M HA -0.148 4.329 4.480 -0.004 0.000 0.255 285 M C -0.904 175.038 176.300 -0.596 0.000 1.075 285 M CA 2.221 57.364 55.300 -0.262 0.000 1.087 285 M CB -0.975 31.524 32.600 -0.168 0.000 1.340 285 M HN -0.042 nan 8.290 nan 0.000 0.402 286 P HA -0.145 nan 4.420 nan 0.000 0.223 286 P C 1.460 178.308 177.300 -0.754 0.000 1.144 286 P CA 1.218 63.547 63.100 -1.285 0.000 0.783 286 P CB -0.875 30.549 31.700 -0.459 0.000 0.771 287 I N -3.809 116.554 120.570 -0.345 0.000 3.083 287 I HA -0.115 4.053 4.170 -0.004 0.000 0.273 287 I C 1.159 177.236 176.117 -0.067 0.000 1.297 287 I CA 1.522 62.773 61.300 -0.081 0.000 1.452 287 I CB -0.930 37.126 38.000 0.094 0.000 1.078 287 I HN -0.008 nan 8.210 nan 0.000 0.484 288 L N -0.605 120.396 121.223 -0.370 0.000 2.416 288 L HA 0.050 4.388 4.340 -0.004 0.000 0.216 288 L C 2.292 178.857 176.870 -0.508 0.000 1.098 288 L CA 0.242 54.737 54.840 -0.575 0.000 0.840 288 L CB -0.463 41.292 42.059 -0.507 0.000 0.981 288 L HN 0.057 nan 8.230 nan 0.000 0.462 289 F N 0.943 120.739 119.950 -0.256 0.000 2.126 289 F HA -0.097 4.427 4.527 -0.004 0.000 0.299 289 F C -0.028 175.678 175.800 -0.156 0.000 1.096 289 F CA 0.574 58.457 58.000 -0.194 0.000 1.255 289 F CB -2.589 36.351 39.000 -0.100 0.000 0.997 289 F HN 0.104 nan 8.300 nan 0.000 0.479 290 P HA -0.199 nan 4.420 nan 0.000 0.220 290 P C 0.699 178.132 177.300 0.223 0.000 1.144 290 P CA 1.643 64.850 63.100 0.179 0.000 0.800 290 P CB -0.349 31.511 31.700 0.267 0.000 0.772 291 F N -6.277 113.697 119.950 0.040 0.000 2.936 291 F HA 0.668 5.192 4.527 -0.004 0.000 0.334 291 F C 1.434 177.233 175.800 -0.001 0.000 1.170 291 F CA -0.380 57.625 58.000 0.008 0.000 1.104 291 F CB -0.784 38.207 39.000 -0.014 0.000 1.216 291 F HN -0.264 nan 8.300 nan 0.000 0.518 292 A N 1.323 123.962 122.820 -0.301 0.000 2.032 292 A HA 0.026 4.344 4.320 -0.004 0.000 0.221 292 A C 2.325 179.863 177.584 -0.077 0.000 1.165 292 A CA 1.833 53.733 52.037 -0.228 0.000 0.645 292 A CB -1.032 17.887 19.000 -0.135 0.000 0.807 292 A HN 0.680 nan 8.150 nan 0.000 0.453 293 A N -1.395 121.412 122.820 -0.020 0.000 2.178 293 A HA -0.137 4.180 4.320 -0.004 0.000 0.218 293 A C 2.004 179.606 177.584 0.031 0.000 1.157 293 A CA 1.562 53.604 52.037 0.008 0.000 0.689 293 A CB -0.327 18.686 19.000 0.020 0.000 0.787 293 A HN 0.672 nan 8.150 nan 0.000 0.465 294 Q N -0.903 118.934 119.800 0.062 0.000 2.378 294 Q HA 0.251 4.589 4.340 -0.004 0.000 0.216 294 Q C -0.177 175.869 176.000 0.077 0.000 0.892 294 Q CA -0.221 55.636 55.803 0.090 0.000 0.931 294 Q CB 0.186 29.024 28.738 0.167 0.000 1.086 294 Q HN 0.640 nan 8.270 nan 0.000 0.528 295 I N 2.088 122.690 120.570 0.052 0.000 2.581 295 I HA -0.031 4.137 4.170 -0.004 0.000 0.285 295 I C 0.950 177.076 176.117 0.014 0.000 1.129 295 I CA 0.505 61.822 61.300 0.028 0.000 1.397 295 I CB 0.594 38.571 38.000 -0.038 0.000 1.399 295 I HN 0.156 nan 8.210 nan 0.000 0.537 296 R N 4.400 124.911 120.500 0.017 0.000 2.307 296 R HA 0.221 4.558 4.340 -0.004 0.000 0.200 296 R C 0.267 176.570 176.300 0.005 0.000 0.893 296 R CA -0.047 56.061 56.100 0.012 0.000 1.042 296 R CB 0.513 30.821 30.300 0.014 0.000 1.059 296 R HN 0.431 nan 8.270 nan 0.000 0.530 297 K N 1.064 121.463 120.400 -0.002 0.000 2.482 297 K HA 0.357 4.674 4.320 -0.004 0.000 0.251 297 K C -1.957 174.633 176.600 -0.017 0.000 0.936 297 K CA -0.689 55.592 56.287 -0.010 0.000 0.791 297 K CB 1.631 34.119 32.500 -0.020 0.000 1.213 297 K HN -0.185 nan 8.250 nan 0.000 0.428 298 L N 3.166 124.379 121.223 -0.016 0.000 2.409 298 L HA 0.399 4.737 4.340 -0.004 0.000 0.272 298 L C -1.495 175.366 176.870 -0.016 0.000 0.980 298 L CA -0.290 54.536 54.840 -0.024 0.000 0.826 298 L CB 1.861 43.904 42.059 -0.026 0.000 1.268 298 L HN 0.631 nan 8.230 nan 0.000 0.407 299 D N 4.580 124.971 120.400 -0.015 0.000 2.479 299 D HA 0.281 4.919 4.640 -0.004 0.000 0.247 299 D C 0.038 176.338 176.300 -0.001 0.000 1.119 299 D CA -0.088 53.915 54.000 0.004 0.000 0.922 299 D CB 0.485 41.305 40.800 0.033 0.000 1.014 299 D HN 0.510 nan 8.370 nan 0.000 0.510 300 L N 3.329 124.534 121.223 -0.029 0.000 2.728 300 L HA 0.112 4.450 4.340 -0.004 0.000 0.235 300 L C 1.729 178.547 176.870 -0.087 0.000 1.197 300 L CA -0.370 54.441 54.840 -0.049 0.000 0.992 300 L CB 0.247 42.268 42.059 -0.063 0.000 1.263 300 L HN 0.295 nan 8.230 nan 0.000 0.484 301 L N -0.130 120.976 121.223 -0.195 0.000 2.141 301 L HA -0.131 4.207 4.340 -0.004 0.000 0.209 301 L C 1.167 177.612 176.870 -0.707 0.000 1.094 301 L CA 2.020 56.566 54.840 -0.490 0.000 0.763 301 L CB -0.532 41.091 42.059 -0.727 0.000 0.908 301 L HN 0.339 nan 8.230 nan 0.000 0.437 302 Y N -1.135 119.119 120.300 -0.076 0.000 2.751 302 Y HA 0.540 5.087 4.550 -0.004 0.000 0.289 302 Y C 0.695 176.488 175.900 -0.179 0.000 1.110 302 Y CA -0.417 57.578 58.100 -0.174 0.000 1.251 302 Y CB -0.248 38.026 38.460 -0.310 0.000 1.178 302 Y HN 0.025 nan 8.280 nan 0.000 0.540 303 A N 0.508 123.314 122.820 -0.022 0.000 2.304 303 A HA 0.545 4.862 4.320 -0.004 0.000 0.301 303 A C -0.080 177.535 177.584 0.052 0.000 1.132 303 A CA -0.397 51.642 52.037 0.003 0.000 0.819 303 A CB 0.621 19.599 19.000 -0.037 0.000 1.094 303 A HN 0.300 nan 8.150 nan 0.000 0.492 304 L N 2.966 124.239 121.223 0.083 0.000 3.035 304 L HA 0.259 4.596 4.340 -0.004 0.000 0.232 304 L C 0.052 176.968 176.870 0.077 0.000 1.341 304 L CA 0.647 55.549 54.840 0.104 0.000 1.177 304 L CB -1.319 40.825 42.059 0.141 0.000 1.555 304 L HN 0.669 nan 8.230 nan 0.000 0.473 305 L N -2.628 118.635 121.223 0.067 0.000 2.341 305 L HA 0.698 5.036 4.340 -0.004 0.000 0.267 305 L C -0.196 176.771 176.870 0.162 0.000 1.009 305 L CA -0.714 54.166 54.840 0.066 0.000 0.819 305 L CB 2.221 44.266 42.059 -0.022 0.000 1.323 305 L HN 0.058 nan 8.230 nan 0.000 0.425 306 E N 0.370 120.660 120.200 0.149 0.000 2.292 306 E HA 0.136 4.483 4.350 -0.004 0.000 0.258 306 E C 0.403 177.124 176.600 0.203 0.000 1.115 306 E CA -0.326 56.160 56.400 0.144 0.000 0.929 306 E CB 1.657 31.405 29.700 0.081 0.000 1.161 306 E HN 0.777 nan 8.360 nan 0.000 0.453 307 T N -0.136 114.470 114.554 0.088 0.000 2.759 307 T HA -0.246 4.101 4.350 -0.004 0.000 0.269 307 T C 1.631 176.384 174.700 0.088 0.000 1.042 307 T CA 2.058 64.178 62.100 0.034 0.000 1.140 307 T CB -0.084 68.769 68.868 -0.025 0.000 0.864 307 T HN 0.524 nan 8.240 nan 0.000 0.455 308 E N -0.055 120.190 120.200 0.075 0.000 2.038 308 E HA -0.182 4.165 4.350 -0.004 0.000 0.195 308 E C 1.910 178.559 176.600 0.082 0.000 1.000 308 E CA 1.705 58.143 56.400 0.064 0.000 0.803 308 E CB -0.124 29.605 29.700 0.048 0.000 0.750 308 E HN 0.564 nan 8.360 nan 0.000 0.448 309 D N -0.383 120.075 120.400 0.098 0.000 2.178 309 D HA -0.171 4.467 4.640 -0.004 0.000 0.201 309 D C 1.846 178.183 176.300 0.062 0.000 0.980 309 D CA 0.904 54.948 54.000 0.074 0.000 0.842 309 D CB -0.384 40.449 40.800 0.054 0.000 0.948 309 D HN 0.416 nan 8.370 nan 0.000 0.472 310 H N 0.079 119.157 119.070 0.013 0.000 2.321 310 H HA -0.090 4.463 4.556 -0.004 0.000 0.300 310 H C 2.397 177.724 175.328 -0.002 0.000 1.087 310 H CA 1.244 57.296 56.048 0.007 0.000 1.319 310 H CB -0.087 29.678 29.762 0.005 0.000 1.379 310 H HN 0.237 nan 8.280 nan 0.000 0.501 311 C N -0.003 119.376 119.300 0.131 0.000 2.425 311 C HA -0.140 4.318 4.460 -0.004 0.000 0.277 311 C C 3.118 178.094 174.990 -0.023 0.000 1.280 311 C CA 1.549 60.597 59.018 0.050 0.000 1.744 311 C CB -1.110 26.654 27.740 0.039 0.000 1.989 311 C HN 0.694 nan 8.230 nan 0.000 0.491 312 T N -0.537 114.008 114.554 -0.015 0.000 2.904 312 T HA -0.071 4.276 4.350 -0.004 0.000 0.267 312 T C 1.718 176.370 174.700 -0.080 0.000 1.059 312 T CA 1.149 63.210 62.100 -0.065 0.000 1.137 312 T CB -0.293 68.560 68.868 -0.025 0.000 0.879 312 T HN 0.556 nan 8.240 nan 0.000 0.467 313 L N 0.047 121.266 121.223 -0.006 0.000 2.102 313 L HA 0.093 4.431 4.340 -0.004 0.000 0.202 313 L C 2.568 179.409 176.870 -0.048 0.000 1.076 313 L CA 0.934 55.787 54.840 0.021 0.000 0.761 313 L CB -0.323 41.739 42.059 0.006 0.000 0.921 313 L HN 0.238 nan 8.230 nan 0.000 0.444 314 I N 0.053 120.598 120.570 -0.041 0.000 2.151 314 I HA -0.363 3.805 4.170 -0.004 0.000 0.243 314 I C 2.539 178.595 176.117 -0.101 0.000 1.080 314 I CA 1.445 62.727 61.300 -0.031 0.000 1.339 314 I CB -1.374 36.642 38.000 0.026 0.000 1.039 314 I HN 0.508 nan 8.210 nan 0.000 0.409 315 Q N 1.597 121.262 119.800 -0.224 0.000 2.248 315 Q HA -0.208 4.130 4.340 -0.004 0.000 0.208 315 Q C 1.588 177.331 176.000 -0.429 0.000 0.984 315 Q CA 1.428 56.899 55.803 -0.554 0.000 0.875 315 Q CB 0.038 28.400 28.738 -0.627 0.000 0.910 315 Q HN 0.570 nan 8.270 nan 0.000 0.433 316 K N -1.174 119.071 120.400 -0.258 0.000 2.417 316 K HA 0.119 4.437 4.320 -0.004 0.000 0.196 316 K C 0.284 176.820 176.600 -0.107 0.000 1.023 316 K CA -0.126 56.042 56.287 -0.198 0.000 1.122 316 K CB 0.513 32.878 32.500 -0.225 0.000 0.850 316 K HN 0.049 nan 8.250 nan 0.000 0.521 317 C N 2.809 122.064 119.300 -0.074 0.000 3.075 317 C HA 0.216 4.673 4.460 -0.004 0.000 0.262 317 C C -1.230 173.767 174.990 0.012 0.000 1.371 317 C CA -1.369 57.630 59.018 -0.032 0.000 1.594 317 C CB 0.130 27.851 27.740 -0.033 0.000 1.849 317 C HN 0.276 nan 8.230 nan 0.000 0.475 318 P HA -0.117 nan 4.420 nan 0.000 0.219 318 P C 0.739 178.066 177.300 0.046 0.000 1.146 318 P CA 1.532 64.670 63.100 0.063 0.000 0.808 318 P CB 0.229 31.964 31.700 0.059 0.000 0.779 319 N N -0.586 118.132 118.700 0.030 0.000 2.235 319 N HA 0.070 4.807 4.740 -0.004 0.000 0.209 319 N C 0.402 175.927 175.510 0.025 0.000 1.122 319 N CA -0.362 52.704 53.050 0.028 0.000 0.845 319 N CB 0.003 38.505 38.487 0.025 0.000 1.004 319 N HN 0.126 nan 8.380 nan 0.000 0.499 320 L N 2.668 123.906 121.223 0.025 0.000 2.615 320 L HA -0.062 4.275 4.340 -0.004 0.000 0.271 320 L C 1.367 178.255 176.870 0.029 0.000 1.183 320 L CA 0.740 55.594 54.840 0.023 0.000 0.933 320 L CB 0.379 42.453 42.059 0.024 0.000 1.199 320 L HN 0.229 nan 8.230 nan 0.000 0.487 321 E N 3.437 123.652 120.200 0.024 0.000 2.473 321 E HA 0.179 4.527 4.350 -0.004 0.000 0.204 321 E C -0.366 176.252 176.600 0.030 0.000 0.994 321 E CA -0.114 56.303 56.400 0.029 0.000 0.945 321 E CB 0.415 30.130 29.700 0.025 0.000 0.990 321 E HN 0.364 nan 8.360 nan 0.000 0.493 322 V N 2.070 121.996 119.914 0.020 0.000 2.638 322 V HA 0.412 4.530 4.120 -0.004 0.000 0.306 322 V C -1.291 174.815 176.094 0.020 0.000 1.052 322 V CA -0.995 61.316 62.300 0.017 0.000 0.885 322 V CB 2.026 33.843 31.823 -0.010 0.000 0.999 322 V HN 0.199 nan 8.190 nan 0.000 0.424 323 L N 4.111 125.357 121.223 0.037 0.000 2.438 323 L HA 0.711 5.049 4.340 -0.004 0.000 0.270 323 L C -0.654 176.244 176.870 0.046 0.000 0.972 323 L CA 0.127 54.989 54.840 0.038 0.000 0.831 323 L CB 2.104 44.195 42.059 0.052 0.000 1.273 323 L HN 0.725 nan 8.230 nan 0.000 0.405 324 E N 2.791 123.008 120.200 0.029 0.000 2.199 324 E HA 0.706 5.054 4.350 -0.004 0.000 0.269 324 E C -1.176 175.432 176.600 0.013 0.000 0.899 324 E CA -0.625 55.790 56.400 0.025 0.000 0.772 324 E CB 2.257 31.961 29.700 0.006 0.000 1.155 324 E HN 0.664 nan 8.360 nan 0.000 0.408 325 T N 1.085 115.647 114.554 0.014 0.000 2.749 325 T HA 0.329 4.676 4.350 -0.004 0.000 0.310 325 T C -1.126 173.563 174.700 -0.019 0.000 1.496 325 T CA -0.708 61.405 62.100 0.022 0.000 1.006 325 T CB 1.059 70.007 68.868 0.134 0.000 1.457 325 T HN 0.374 nan 8.240 nan 0.000 0.497 326 R N 1.051 121.532 120.500 -0.032 0.000 2.580 326 R HA 0.339 4.677 4.340 -0.004 0.000 0.267 326 R C 1.675 177.927 176.300 -0.080 0.000 1.125 326 R CA -0.016 56.041 56.100 -0.072 0.000 1.188 326 R CB 0.200 30.451 30.300 -0.081 0.000 1.155 326 R HN 0.834 nan 8.270 nan 0.000 0.586 327 N N -0.523 118.127 118.700 -0.083 0.000 2.550 327 N HA -0.089 4.649 4.740 -0.004 0.000 0.186 327 N C 0.989 176.424 175.510 -0.124 0.000 1.110 327 N CA 0.157 53.160 53.050 -0.079 0.000 0.912 327 N CB 0.013 38.475 38.487 -0.042 0.000 0.968 327 N HN 0.138 nan 8.380 nan 0.000 0.448 328 V N 1.348 121.169 119.914 -0.154 0.000 2.546 328 V HA -0.245 3.872 4.120 -0.004 0.000 0.254 328 V C 2.346 178.215 176.094 -0.376 0.000 1.076 328 V CA 1.187 63.371 62.300 -0.195 0.000 1.087 328 V CB -0.727 31.016 31.823 -0.134 0.000 0.674 328 V HN 0.382 nan 8.190 nan 0.000 0.470 329 I N 0.782 121.019 120.570 -0.555 0.000 2.229 329 I HA -0.113 4.055 4.170 -0.004 0.000 0.250 329 I C 1.331 177.305 176.117 -0.238 0.000 1.096 329 I CA 1.513 62.476 61.300 -0.563 0.000 1.358 329 I CB -0.731 37.110 38.000 -0.266 0.000 1.047 329 I HN 0.499 nan 8.210 nan 0.000 0.422 330 G N -0.227 108.482 108.800 -0.152 0.000 2.880 330 G HA2 -0.295 3.662 3.960 -0.004 0.000 0.617 330 G HA3 -0.295 3.662 3.960 -0.004 0.000 0.617 330 G C 0.383 175.260 174.900 -0.038 0.000 1.493 330 G CA 0.014 45.069 45.100 -0.075 0.000 0.916 330 G HN 0.332 nan 8.290 nan 0.000 0.553 331 D N -0.028 120.362 120.400 -0.017 0.000 2.149 331 D HA -0.105 4.532 4.640 -0.004 0.000 0.198 331 D C 2.398 178.701 176.300 0.004 0.000 0.990 331 D CA 1.425 55.424 54.000 -0.001 0.000 0.839 331 D CB -0.015 40.788 40.800 0.004 0.000 0.948 331 D HN 0.522 nan 8.370 nan 0.000 0.460 332 R N 0.447 120.948 120.500 0.002 0.000 2.091 332 R HA -0.108 4.230 4.340 -0.004 0.000 0.238 332 R C 2.347 178.662 176.300 0.025 0.000 1.136 332 R CA 1.738 57.846 56.100 0.014 0.000 0.959 332 R CB -0.477 29.831 30.300 0.014 0.000 0.856 332 R HN 0.157 nan 8.270 nan 0.000 0.437 333 G N 0.626 109.434 108.800 0.013 0.000 2.418 333 G HA2 -0.222 3.735 3.960 -0.004 0.000 0.217 333 G HA3 -0.222 3.735 3.960 -0.004 0.000 0.217 333 G C 1.424 176.350 174.900 0.044 0.000 1.158 333 G CA 0.678 45.797 45.100 0.032 0.000 0.771 333 G HN 0.242 nan 8.290 nan 0.000 0.545 334 L N 0.013 121.252 121.223 0.027 0.000 2.079 334 L HA -0.084 4.254 4.340 -0.004 0.000 0.210 334 L C 2.835 179.729 176.870 0.040 0.000 1.081 334 L CA 1.257 56.118 54.840 0.035 0.000 0.752 334 L CB -0.415 41.660 42.059 0.026 0.000 0.896 334 L HN 0.293 nan 8.230 nan 0.000 0.433 335 E N -0.370 119.852 120.200 0.037 0.000 2.077 335 E HA -0.183 4.164 4.350 -0.004 0.000 0.193 335 E C 2.258 178.897 176.600 0.066 0.000 0.989 335 E CA 1.282 57.703 56.400 0.035 0.000 0.800 335 E CB 0.005 29.722 29.700 0.028 0.000 0.746 335 E HN 0.263 nan 8.360 nan 0.000 0.452 336 V N 1.104 121.079 119.914 0.103 0.000 2.295 336 V HA -0.242 3.875 4.120 -0.004 0.000 0.246 336 V C 2.280 178.512 176.094 0.229 0.000 1.049 336 V CA 1.365 63.783 62.300 0.197 0.000 1.024 336 V CB -0.398 31.511 31.823 0.142 0.000 0.648 336 V HN 0.245 nan 8.190 nan 0.000 0.447 337 L N 0.809 122.113 121.223 0.136 0.000 2.127 337 L HA -0.105 4.233 4.340 -0.004 0.000 0.211 337 L C 2.448 179.368 176.870 0.084 0.000 1.089 337 L CA 2.102 57.010 54.840 0.114 0.000 0.757 337 L CB -0.844 41.264 42.059 0.082 0.000 0.899 337 L HN 0.251 nan 8.230 nan 0.000 0.434 338 A N -0.825 122.026 122.820 0.051 0.000 1.978 338 A HA -0.247 4.070 4.320 -0.004 0.000 0.220 338 A C 2.157 179.717 177.584 -0.039 0.000 1.170 338 A CA 1.957 53.996 52.037 0.003 0.000 0.636 338 A CB -0.440 18.552 19.000 -0.014 0.000 0.810 338 A HN 0.741 nan 8.150 nan 0.000 0.448 339 Q N -3.432 116.322 119.800 -0.077 0.000 2.245 339 Q HA 0.135 4.473 4.340 -0.004 0.000 0.236 339 Q C 1.194 177.015 176.000 -0.297 0.000 0.842 339 Q CA 0.086 55.765 55.803 -0.207 0.000 0.945 339 Q CB -0.107 28.443 28.738 -0.313 0.000 1.122 339 Q HN 0.623 nan 8.270 nan 0.000 0.506 340 Y N 0.568 120.862 120.300 -0.009 0.000 2.397 340 Y HA 0.163 4.711 4.550 -0.004 0.000 0.292 340 Y C 0.920 176.816 175.900 -0.006 0.000 1.115 340 Y CA 0.145 58.238 58.100 -0.010 0.000 1.208 340 Y CB 0.868 39.320 38.460 -0.013 0.000 1.046 340 Y HN 0.155 nan 8.280 nan 0.000 0.552 341 C N 2.107 121.485 119.300 0.129 0.000 2.288 341 C HA 0.288 4.745 4.460 -0.004 0.000 0.328 341 C C 1.189 176.207 174.990 0.047 0.000 1.071 341 C CA -1.288 57.779 59.018 0.082 0.000 1.594 341 C CB -0.253 27.535 27.740 0.080 0.000 1.700 341 C HN 0.300 nan 8.230 nan 0.000 0.436 342 K N 0.877 121.295 120.400 0.030 0.000 2.365 342 K HA -0.015 4.302 4.320 -0.004 0.000 0.197 342 K C 1.464 178.079 176.600 0.026 0.000 1.042 342 K CA 0.879 57.175 56.287 0.015 0.000 0.987 342 K CB 0.224 32.724 32.500 0.000 0.000 0.779 342 K HN 0.661 nan 8.250 nan 0.000 0.484 343 Q N 0.518 120.337 119.800 0.032 0.000 2.360 343 Q HA 0.066 4.404 4.340 -0.004 0.000 0.202 343 Q C 0.443 176.468 176.000 0.041 0.000 0.915 343 Q CA -0.249 55.574 55.803 0.033 0.000 0.943 343 Q CB -0.435 28.321 28.738 0.030 0.000 1.064 343 Q HN 0.081 nan 8.270 nan 0.000 0.511 344 L N 2.540 123.791 121.223 0.046 0.000 2.628 344 L HA -0.120 4.218 4.340 -0.004 0.000 0.274 344 L C 1.007 177.917 176.870 0.066 0.000 1.209 344 L CA 0.867 55.740 54.840 0.056 0.000 0.930 344 L CB 0.470 42.566 42.059 0.062 0.000 1.183 344 L HN -0.065 nan 8.230 nan 0.000 0.492 345 K N 4.808 125.249 120.400 0.068 0.000 2.350 345 K HA 0.233 4.550 4.320 -0.004 0.000 0.196 345 K C -0.068 176.604 176.600 0.120 0.000 1.084 345 K CA 0.445 56.782 56.287 0.083 0.000 0.967 345 K CB 0.544 33.082 32.500 0.062 0.000 0.950 345 K HN 0.568 nan 8.250 nan 0.000 0.512 346 R N 0.787 121.356 120.500 0.114 0.000 2.574 346 R HA 0.461 4.799 4.340 -0.004 0.000 0.288 346 R C -1.404 175.000 176.300 0.175 0.000 1.004 346 R CA -0.776 55.432 56.100 0.180 0.000 0.895 346 R CB 1.804 32.138 30.300 0.057 0.000 1.191 346 R HN -0.122 nan 8.270 nan 0.000 0.444 347 L N 1.888 123.266 121.223 0.259 0.000 2.438 347 L HA 0.542 4.879 4.340 -0.004 0.000 0.270 347 L C -1.214 175.792 176.870 0.227 0.000 0.972 347 L CA -0.460 54.489 54.840 0.182 0.000 0.831 347 L CB 1.882 44.015 42.059 0.124 0.000 1.273 347 L HN 0.679 nan 8.230 nan 0.000 0.405 348 R N 5.958 126.569 120.500 0.185 0.000 2.476 348 R HA 0.649 4.987 4.340 -0.004 0.000 0.305 348 R C -1.529 174.831 176.300 0.100 0.000 0.965 348 R CA -0.651 55.556 56.100 0.179 0.000 0.867 348 R CB 1.184 31.621 30.300 0.228 0.000 1.176 348 R HN 0.682 nan 8.270 nan 0.000 0.447 349 I N 4.383 125.004 120.570 0.085 0.000 2.388 349 I HA 0.263 4.430 4.170 -0.004 0.000 0.281 349 I C 0.396 176.583 176.117 0.116 0.000 1.046 349 I CA -0.520 60.820 61.300 0.067 0.000 1.187 349 I CB 0.907 38.936 38.000 0.049 0.000 1.351 349 I HN 0.594 nan 8.210 nan 0.000 0.472 350 E N 4.893 125.120 120.200 0.045 0.000 2.397 350 E HA 0.196 4.544 4.350 -0.004 0.000 0.254 350 E C 0.292 176.774 176.600 -0.195 0.000 1.231 350 E CA -0.433 55.943 56.400 -0.040 0.000 0.954 350 E CB 1.294 30.928 29.700 -0.110 0.000 1.024 350 E HN 0.523 nan 8.360 nan 0.000 0.481 351 R N -0.740 119.448 120.500 -0.521 0.000 2.368 351 R HA 0.544 4.882 4.340 -0.004 0.000 0.302 351 R C 0.366 176.513 176.300 -0.254 0.000 1.002 351 R CA -0.414 55.428 56.100 -0.430 0.000 0.929 351 R CB 1.007 30.896 30.300 -0.686 0.000 1.073 351 R HN 0.427 nan 8.270 nan 0.000 0.464 352 G N 1.187 109.895 108.800 -0.154 0.000 2.574 352 G HA2 0.453 4.410 3.960 -0.004 0.000 0.248 352 G HA3 0.453 4.410 3.960 -0.004 0.000 0.248 352 G C -0.731 174.124 174.900 -0.075 0.000 1.422 352 G CA -0.716 44.324 45.100 -0.100 0.000 1.051 352 G HN 0.839 nan 8.290 nan 0.000 0.560 353 A N -0.116 122.680 122.820 -0.041 0.000 2.473 353 A HA 0.345 4.662 4.320 -0.004 0.000 0.282 353 A C 0.382 177.951 177.584 -0.026 0.000 1.163 353 A CA -0.021 52.001 52.037 -0.025 0.000 0.827 353 A CB -0.099 18.898 19.000 -0.005 0.000 1.098 353 A HN 0.522 nan 8.150 nan 0.000 0.515 354 D N 2.062 122.445 120.400 -0.029 0.000 2.525 354 D HA 0.090 4.728 4.640 -0.004 0.000 0.229 354 D C 0.830 177.122 176.300 -0.013 0.000 1.202 354 D CA 0.243 54.228 54.000 -0.025 0.000 0.828 354 D CB 0.558 41.337 40.800 -0.035 0.000 1.008 354 D HN 0.801 nan 8.370 nan 0.000 0.493 355 E N -0.219 119.976 120.200 -0.008 0.000 2.075 355 E HA 0.054 4.401 4.350 -0.004 0.000 0.193 355 E C 0.217 176.816 176.600 -0.001 0.000 0.950 355 E CA 0.131 56.529 56.400 -0.003 0.000 0.859 355 E CB 0.327 30.027 29.700 0.000 0.000 0.846 355 E HN 0.003 nan 8.360 nan 0.000 0.467 356 Q N 1.241 121.041 119.800 0.000 0.000 2.655 356 Q HA 0.336 4.674 4.340 -0.004 0.000 0.228 356 Q C -0.047 175.954 176.000 0.001 0.000 1.186 356 Q CA -0.031 55.773 55.803 0.002 0.000 1.004 356 Q CB 0.631 29.372 28.738 0.004 0.000 1.242 356 Q HN 0.420 nan 8.270 nan 0.000 0.558 357 G N 2.681 111.481 108.800 -0.001 0.000 2.880 357 G HA2 -0.235 3.722 3.960 -0.004 0.000 0.686 357 G HA3 -0.235 3.722 3.960 -0.004 0.000 0.686 357 G C 0.347 175.245 174.900 -0.004 0.000 1.505 357 G CA -0.781 44.318 45.100 -0.002 0.000 1.057 357 G HN 0.519 nan 8.290 nan 0.000 0.599 358 M N 1.606 121.202 119.600 -0.008 0.000 3.235 358 M HA 0.060 4.538 4.480 -0.004 0.000 0.184 358 M C 1.476 177.768 176.300 -0.014 0.000 1.325 358 M CA 1.563 56.855 55.300 -0.014 0.000 1.374 358 M CB -1.851 30.740 32.600 -0.016 0.000 1.620 358 M HN 0.954 nan 8.290 nan 0.000 0.429 359 E N -0.032 120.165 120.200 -0.006 0.000 4.924 359 E HA -0.254 4.093 4.350 -0.004 0.000 0.229 359 E C -0.284 176.320 176.600 0.006 0.000 0.912 359 E CA 2.073 58.474 56.400 0.001 0.000 1.857 359 E CB -0.579 29.120 29.700 -0.001 0.000 1.787 359 E HN 0.780 nan 8.360 nan 0.000 0.427 360 D N -1.350 119.050 120.400 -0.000 0.000 2.738 360 D HA 0.204 4.842 4.640 -0.004 0.000 0.308 360 D C -0.346 175.953 176.300 -0.001 0.000 1.311 360 D CA -0.575 53.427 54.000 0.003 0.000 0.799 360 D CB 0.205 41.011 40.800 0.009 0.000 1.332 360 D HN -0.057 nan 8.370 nan 0.000 0.441 361 E N -0.637 119.563 120.200 0.002 0.000 2.296 361 E HA 0.133 4.481 4.350 -0.004 0.000 0.196 361 E C -0.105 176.494 176.600 -0.002 0.000 1.143 361 E CA 0.480 56.880 56.400 0.000 0.000 1.145 361 E CB -0.166 29.536 29.700 0.003 0.000 1.215 361 E HN 0.451 nan 8.360 nan 0.000 0.447 362 E N -2.038 118.157 120.200 -0.007 0.000 2.633 362 E HA 0.131 4.478 4.350 -0.004 0.000 0.222 362 E C 0.867 177.452 176.600 -0.026 0.000 0.899 362 E CA 0.224 56.617 56.400 -0.012 0.000 1.292 362 E CB 0.802 30.497 29.700 -0.008 0.000 1.257 362 E HN 0.170 nan 8.360 nan 0.000 0.626 363 G N 1.971 110.753 108.800 -0.030 0.000 3.325 363 G HA2 0.275 4.232 3.960 -0.004 0.000 0.242 363 G HA3 0.275 4.232 3.960 -0.004 0.000 0.242 363 G C -0.277 174.601 174.900 -0.037 0.000 1.120 363 G CA 0.272 45.344 45.100 -0.047 0.000 1.778 363 G HN -0.123 nan 8.290 nan 0.000 0.610 364 L N 0.188 121.394 121.223 -0.028 0.000 2.410 364 L HA 0.508 4.845 4.340 -0.004 0.000 0.270 364 L C 0.025 176.886 176.870 -0.015 0.000 0.983 364 L CA -1.054 53.776 54.840 -0.017 0.000 0.822 364 L CB 2.289 44.343 42.059 -0.009 0.000 1.285 364 L HN 0.023 nan 8.230 nan 0.000 0.409 365 V N 0.913 120.822 119.914 -0.008 0.000 2.713 365 V HA 1.026 5.143 4.120 -0.004 0.000 0.307 365 V C -0.107 175.993 176.094 0.010 0.000 1.052 365 V CA 0.206 62.507 62.300 -0.000 0.000 0.967 365 V CB 1.816 33.639 31.823 0.001 0.000 1.019 365 V HN 0.980 nan 8.190 nan 0.000 0.459 366 S N 2.535 118.245 115.700 0.016 0.000 2.790 366 S HA 0.424 4.891 4.470 -0.004 0.000 0.292 366 S C 0.492 175.111 174.600 0.031 0.000 1.197 366 S CA -0.172 58.041 58.200 0.021 0.000 0.851 366 S CB 1.376 64.586 63.200 0.016 0.000 1.217 366 S HN 0.739 nan 8.310 nan 0.000 0.526 367 Q N 0.719 120.540 119.800 0.034 0.000 2.133 367 Q HA -0.125 4.213 4.340 -0.004 0.000 0.208 367 Q C 2.130 178.152 176.000 0.038 0.000 0.991 367 Q CA 2.339 58.168 55.803 0.043 0.000 0.867 367 Q CB -0.470 28.291 28.738 0.039 0.000 0.911 367 Q HN 0.688 nan 8.270 nan 0.000 0.417 368 R N 0.038 120.555 120.500 0.028 0.000 2.080 368 R HA -0.139 4.199 4.340 -0.004 0.000 0.236 368 R C 2.302 178.615 176.300 0.022 0.000 1.137 368 R CA 1.779 57.892 56.100 0.022 0.000 0.943 368 R CB -0.766 29.543 30.300 0.016 0.000 0.846 368 R HN 0.400 nan 8.270 nan 0.000 0.431 369 G N 0.654 109.468 108.800 0.024 0.000 2.402 369 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.216 369 G HA3 -0.199 3.759 3.960 -0.004 0.000 0.216 369 G C 1.489 176.411 174.900 0.036 0.000 1.162 369 G CA 0.674 45.789 45.100 0.025 0.000 0.777 369 G HN 0.235 nan 8.290 nan 0.000 0.539 370 L N -0.001 121.252 121.223 0.050 0.000 2.012 370 L HA -0.046 4.291 4.340 -0.004 0.000 0.210 370 L C 2.723 179.633 176.870 0.067 0.000 1.073 370 L CA 1.100 55.985 54.840 0.075 0.000 0.748 370 L CB -0.356 41.763 42.059 0.099 0.000 0.891 370 L HN 0.252 nan 8.230 nan 0.000 0.431 371 I N -0.423 120.179 120.570 0.054 0.000 2.315 371 I HA -0.245 3.922 4.170 -0.004 0.000 0.248 371 I C 2.609 178.728 176.117 0.003 0.000 1.117 371 I CA 1.200 62.527 61.300 0.044 0.000 1.404 371 I CB -0.022 38.007 38.000 0.047 0.000 1.071 371 I HN 0.180 nan 8.210 nan 0.000 0.419 372 A N 0.656 123.476 122.820 -0.000 0.000 1.877 372 A HA -0.240 4.078 4.320 -0.004 0.000 0.216 372 A C 2.204 179.770 177.584 -0.030 0.000 1.186 372 A CA 1.920 53.943 52.037 -0.023 0.000 0.620 372 A CB -1.083 17.913 19.000 -0.007 0.000 0.822 372 A HN 0.494 nan 8.150 nan 0.000 0.443 373 L N -0.109 121.117 121.223 0.004 0.000 1.989 373 L HA -0.146 4.192 4.340 -0.004 0.000 0.211 373 L C 2.765 179.641 176.870 0.008 0.000 1.071 373 L CA 2.363 57.215 54.840 0.019 0.000 0.749 373 L CB -0.898 41.192 42.059 0.051 0.000 0.890 373 L HN 0.381 nan 8.230 nan 0.000 0.431 374 A N -1.342 121.491 122.820 0.022 0.000 1.948 374 A HA -0.294 4.024 4.320 -0.004 0.000 0.220 374 A C 2.176 179.700 177.584 -0.101 0.000 1.177 374 A CA 2.126 54.184 52.037 0.036 0.000 0.636 374 A CB -0.572 18.491 19.000 0.106 0.000 0.815 374 A HN 0.711 nan 8.150 nan 0.000 0.449 375 Q N -1.379 118.272 119.800 -0.249 0.000 2.269 375 Q HA 0.026 4.364 4.340 -0.004 0.000 0.201 375 Q C 2.133 177.964 176.000 -0.282 0.000 0.946 375 Q CA 0.821 56.314 55.803 -0.516 0.000 0.877 375 Q CB -0.136 28.306 28.738 -0.493 0.000 0.963 375 Q HN 0.670 nan 8.270 nan 0.000 0.472 376 G N -0.022 108.690 108.800 -0.146 0.000 2.437 376 G HA2 -0.095 3.863 3.960 -0.004 0.000 0.212 376 G HA3 -0.095 3.863 3.960 -0.004 0.000 0.212 376 G C 0.529 175.402 174.900 -0.044 0.000 1.174 376 G CA 0.122 45.168 45.100 -0.090 0.000 0.811 376 G HN 0.305 nan 8.290 nan 0.000 0.537 377 C N 1.962 121.254 119.300 -0.013 0.000 2.328 377 C HA 0.404 4.862 4.460 -0.004 0.000 0.446 377 C C 1.405 176.420 174.990 0.041 0.000 1.090 377 C CA -0.714 58.317 59.018 0.022 0.000 1.510 377 C CB -0.719 27.046 27.740 0.043 0.000 1.543 377 C HN 0.496 nan 8.230 nan 0.000 0.533 378 Q N 0.115 119.937 119.800 0.036 0.000 2.482 378 Q HA -0.049 4.289 4.340 -0.004 0.000 0.209 378 Q C 1.391 177.433 176.000 0.069 0.000 0.961 378 Q CA 0.792 56.633 55.803 0.064 0.000 0.945 378 Q CB 0.337 29.118 28.738 0.071 0.000 1.012 378 Q HN 0.760 nan 8.270 nan 0.000 0.515 379 E N 0.227 120.464 120.200 0.061 0.000 2.472 379 E HA 0.090 4.438 4.350 -0.004 0.000 0.196 379 E C -0.144 176.502 176.600 0.077 0.000 1.033 379 E CA -0.259 56.179 56.400 0.062 0.000 0.886 379 E CB 0.409 30.139 29.700 0.050 0.000 0.944 379 E HN 0.288 nan 8.360 nan 0.000 0.492 380 L N 1.899 123.176 121.223 0.090 0.000 2.678 380 L HA -0.142 4.196 4.340 -0.004 0.000 0.285 380 L C 1.112 178.060 176.870 0.131 0.000 1.233 380 L CA 0.825 55.734 54.840 0.115 0.000 0.920 380 L CB 0.287 42.422 42.059 0.126 0.000 1.176 380 L HN 0.183 nan 8.230 nan 0.000 0.495 381 E N 2.538 122.830 120.200 0.152 0.000 2.372 381 E HA 0.019 4.367 4.350 -0.004 0.000 0.201 381 E C -0.809 175.934 176.600 0.239 0.000 0.938 381 E CA 0.089 56.589 56.400 0.167 0.000 0.944 381 E CB 0.731 30.514 29.700 0.139 0.000 0.937 381 E HN 0.493 nan 8.360 nan 0.000 0.495 382 Y N 1.232 121.594 120.300 0.104 0.000 2.354 382 Y HA 0.474 5.022 4.550 -0.004 0.000 0.330 382 Y C -1.380 174.579 175.900 0.098 0.000 1.011 382 Y CA -0.914 57.250 58.100 0.106 0.000 1.099 382 Y CB 1.248 39.751 38.460 0.072 0.000 1.179 382 Y HN -0.202 nan 8.280 nan 0.000 0.442 383 M N 6.344 125.827 119.600 -0.195 0.000 2.151 383 M HA 0.819 5.297 4.480 -0.004 0.000 0.290 383 M C -1.962 174.048 176.300 -0.484 0.000 0.965 383 M CA -0.529 54.672 55.300 -0.163 0.000 0.930 383 M CB 1.246 33.887 32.600 0.069 0.000 1.560 383 M HN 0.848 nan 8.290 nan 0.000 0.438 384 A N 4.717 127.305 122.820 -0.387 0.000 2.359 384 A HA 0.838 5.155 4.320 -0.004 0.000 0.303 384 A C -1.659 175.814 177.584 -0.185 0.000 1.066 384 A CA -0.563 51.249 52.037 -0.375 0.000 0.730 384 A CB 1.703 20.533 19.000 -0.283 0.000 1.211 384 A HN 0.612 nan 8.150 nan 0.000 0.439 385 V N 2.748 122.508 119.914 -0.257 0.000 2.777 385 V HA 0.319 4.437 4.120 -0.004 0.000 0.306 385 V C -1.674 174.320 176.094 -0.167 0.000 1.112 385 V CA -0.434 61.789 62.300 -0.129 0.000 0.917 385 V CB 1.873 33.617 31.823 -0.132 0.000 1.018 385 V HN 0.808 nan 8.190 nan 0.000 0.426 386 Y N 3.450 123.690 120.300 -0.099 0.000 2.367 386 Y HA 0.590 5.138 4.550 -0.004 0.000 0.342 386 Y C 0.194 176.052 175.900 -0.071 0.000 0.979 386 Y CA -0.252 57.793 58.100 -0.092 0.000 1.161 386 Y CB 1.804 40.218 38.460 -0.078 0.000 1.155 386 Y HN 0.416 nan 8.280 nan 0.000 0.503 387 V N 2.833 122.768 119.914 0.034 0.000 2.581 387 V HA 0.286 4.404 4.120 -0.004 0.000 0.303 387 V C 0.404 176.509 176.094 0.018 0.000 1.041 387 V CA -0.090 62.219 62.300 0.016 0.000 0.907 387 V CB 2.152 33.968 31.823 -0.011 0.000 0.994 387 V HN 0.889 nan 8.190 nan 0.000 0.442 388 S N 3.443 119.152 115.700 0.015 0.000 2.528 388 S HA 0.159 4.626 4.470 -0.004 0.000 0.219 388 S C -0.056 174.546 174.600 0.003 0.000 0.985 388 S CA 0.389 58.594 58.200 0.009 0.000 0.914 388 S CB -0.110 63.093 63.200 0.005 0.000 0.776 388 S HN 0.890 nan 8.310 nan 0.000 0.526 389 D N -0.076 120.327 120.400 0.005 0.000 2.812 389 D HA 0.401 5.039 4.640 -0.004 0.000 0.210 389 D C -1.500 174.809 176.300 0.015 0.000 1.260 389 D CA -0.607 53.397 54.000 0.006 0.000 0.817 389 D CB 0.798 41.603 40.800 0.008 0.000 1.694 389 D HN -0.020 nan 8.370 nan 0.000 0.530 390 I N 0.147 120.727 120.570 0.018 0.000 3.067 390 I HA 0.852 5.019 4.170 -0.004 0.000 0.312 390 I C -0.066 176.079 176.117 0.046 0.000 1.073 390 I CA -0.810 60.512 61.300 0.038 0.000 1.016 390 I CB 1.875 39.903 38.000 0.047 0.000 1.227 390 I HN 0.260 nan 8.210 nan 0.000 0.456 391 T N 0.060 114.650 114.554 0.060 0.000 2.916 391 T HA 0.345 4.692 4.350 -0.004 0.000 0.305 391 T C 0.509 175.253 174.700 0.074 0.000 1.119 391 T CA -0.551 61.584 62.100 0.059 0.000 1.008 391 T CB 1.147 70.043 68.868 0.046 0.000 1.129 391 T HN 0.640 nan 8.240 nan 0.000 0.480 392 N N 1.632 120.375 118.700 0.072 0.000 2.258 392 N HA -0.133 4.604 4.740 -0.004 0.000 0.187 392 N C 1.507 177.049 175.510 0.053 0.000 1.012 392 N CA 1.179 54.272 53.050 0.072 0.000 0.870 392 N CB 0.111 38.634 38.487 0.060 0.000 0.977 392 N HN 0.734 nan 8.380 nan 0.000 0.434 393 E N 0.729 120.958 120.200 0.047 0.000 2.106 393 E HA -0.118 4.229 4.350 -0.004 0.000 0.192 393 E C 1.831 178.462 176.600 0.050 0.000 0.984 393 E CA 1.178 57.602 56.400 0.040 0.000 0.806 393 E CB 0.189 29.912 29.700 0.037 0.000 0.750 393 E HN 0.389 nan 8.360 nan 0.000 0.458 394 S N 1.005 116.743 115.700 0.063 0.000 2.368 394 S HA -0.131 4.337 4.470 -0.004 0.000 0.224 394 S C 2.183 176.831 174.600 0.079 0.000 1.029 394 S CA 0.792 59.038 58.200 0.077 0.000 0.988 394 S CB -0.661 62.590 63.200 0.085 0.000 0.838 394 S HN 0.250 nan 8.310 nan 0.000 0.462 395 L N 1.392 122.665 121.223 0.082 0.000 2.042 395 L HA -0.146 4.192 4.340 -0.004 0.000 0.210 395 L C 2.886 179.752 176.870 -0.007 0.000 1.076 395 L CA 1.756 56.627 54.840 0.052 0.000 0.749 395 L CB -0.801 41.315 42.059 0.095 0.000 0.893 395 L HN 0.384 nan 8.230 nan 0.000 0.432 396 E N 0.137 120.336 120.200 -0.000 0.000 2.077 396 E HA -0.191 4.157 4.350 -0.004 0.000 0.193 396 E C 2.303 178.891 176.600 -0.020 0.000 0.989 396 E CA 1.685 58.065 56.400 -0.032 0.000 0.800 396 E CB -0.035 29.649 29.700 -0.027 0.000 0.746 396 E HN 0.560 nan 8.360 nan 0.000 0.452 397 S N 0.896 116.622 115.700 0.043 0.000 2.387 397 S HA -0.094 4.373 4.470 -0.004 0.000 0.226 397 S C 2.048 176.736 174.600 0.147 0.000 1.026 397 S CA 0.496 58.774 58.200 0.129 0.000 0.972 397 S CB -0.266 63.060 63.200 0.210 0.000 0.814 397 S HN 0.131 nan 8.310 nan 0.000 0.477 398 I N 2.796 123.413 120.570 0.078 0.000 2.118 398 I HA -0.170 3.997 4.170 -0.004 0.000 0.241 398 I C 2.820 178.930 176.117 -0.012 0.000 1.070 398 I CA 1.870 63.194 61.300 0.041 0.000 1.327 398 I CB -1.978 35.988 38.000 -0.056 0.000 1.034 398 I HN 0.489 nan 8.210 nan 0.000 0.405 399 G N -0.470 108.287 108.800 -0.071 0.000 2.443 399 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.219 399 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.219 399 G C 1.771 176.605 174.900 -0.110 0.000 1.131 399 G CA 1.346 46.380 45.100 -0.110 0.000 0.775 399 G HN 0.423 nan 8.290 nan 0.000 0.547 400 T N -1.836 112.643 114.554 -0.125 0.000 2.976 400 T HA 0.096 4.444 4.350 -0.004 0.000 0.257 400 T C 1.972 176.496 174.700 -0.292 0.000 1.051 400 T CA 0.719 62.666 62.100 -0.254 0.000 1.141 400 T CB -0.113 68.534 68.868 -0.368 0.000 0.881 400 T HN 0.353 nan 8.240 nan 0.000 0.461 401 Y N 0.919 121.207 120.300 -0.020 0.000 2.353 401 Y HA 0.372 4.920 4.550 -0.004 0.000 0.294 401 Y C 0.745 176.646 175.900 0.002 0.000 1.135 401 Y CA -0.196 57.900 58.100 -0.007 0.000 1.176 401 Y CB 0.327 38.788 38.460 0.001 0.000 1.124 401 Y HN 0.155 nan 8.280 nan 0.000 0.537 402 L N 0.155 121.476 121.223 0.162 0.000 2.407 402 L HA 0.492 4.830 4.340 -0.004 0.000 0.261 402 L C -0.415 176.496 176.870 0.069 0.000 1.108 402 L CA -0.883 54.025 54.840 0.113 0.000 0.995 402 L CB -0.009 42.122 42.059 0.119 0.000 1.349 402 L HN -0.256 nan 8.230 nan 0.000 0.423 403 K N 1.716 122.146 120.400 0.050 0.000 2.343 403 K HA 0.104 4.422 4.320 -0.004 0.000 0.250 403 K C 1.036 177.666 176.600 0.050 0.000 1.087 403 K CA 0.626 56.932 56.287 0.031 0.000 0.853 403 K CB 0.005 32.517 32.500 0.020 0.000 1.133 403 K HN 0.809 nan 8.250 nan 0.000 0.509 404 N N -0.529 118.198 118.700 0.045 0.000 2.666 404 N HA -0.271 4.466 4.740 -0.004 0.000 0.249 404 N C -0.890 174.671 175.510 0.085 0.000 1.063 404 N CA 0.759 53.845 53.050 0.060 0.000 0.750 404 N CB -1.698 36.822 38.487 0.055 0.000 0.992 404 N HN 0.429 nan 8.380 nan 0.000 0.542 405 L N -0.439 120.840 121.223 0.093 0.000 2.410 405 L HA 0.067 4.405 4.340 -0.004 0.000 0.273 405 L C 0.807 177.762 176.870 0.142 0.000 1.144 405 L CA -0.252 54.667 54.840 0.132 0.000 0.863 405 L CB 0.488 42.630 42.059 0.138 0.000 1.140 405 L HN 0.443 nan 8.230 nan 0.000 0.463 406 C N 1.921 121.324 119.300 0.171 0.000 2.935 406 C HA 0.240 4.697 4.460 -0.004 0.000 0.308 406 C C 0.400 175.524 174.990 0.224 0.000 1.263 406 C CA -0.188 58.934 59.018 0.175 0.000 1.738 406 C CB -0.086 27.750 27.740 0.160 0.000 2.237 406 C HN 0.741 nan 8.230 nan 0.000 0.600 407 D N -0.006 120.537 120.400 0.238 0.000 2.763 407 D HA 0.347 4.984 4.640 -0.004 0.000 0.235 407 D C -1.721 174.670 176.300 0.152 0.000 1.334 407 D CA -0.088 54.052 54.000 0.232 0.000 0.950 407 D CB 1.068 42.023 40.800 0.259 0.000 1.433 407 D HN 0.168 nan 8.370 nan 0.000 0.580 408 F N 4.109 124.116 119.950 0.096 0.000 2.518 408 F HA 0.560 5.084 4.527 -0.005 0.000 0.323 408 F C -0.977 174.817 175.800 -0.011 0.000 1.129 408 F CA -0.542 57.484 58.000 0.043 0.000 0.920 408 F CB 1.080 40.192 39.000 0.187 0.000 1.160 408 F HN 0.166 nan 8.300 nan 0.000 0.440 409 R N 6.919 126.930 120.500 -0.816 0.000 2.575 409 R HA 0.657 4.994 4.340 -0.004 0.000 0.293 409 R C -2.049 173.750 176.300 -0.835 0.000 0.983 409 R CA -1.117 54.603 56.100 -0.633 0.000 0.887 409 R CB 2.454 32.554 30.300 -0.334 0.000 1.184 409 R HN 0.555 nan 8.270 nan 0.000 0.445 410 L N 3.502 124.365 121.223 -0.600 0.000 2.410 410 L HA 0.580 4.918 4.340 -0.004 0.000 0.270 410 L C -1.477 175.132 176.870 -0.436 0.000 0.983 410 L CA -0.770 53.787 54.840 -0.472 0.000 0.822 410 L CB 2.246 44.174 42.059 -0.219 0.000 1.285 410 L HN 0.433 nan 8.230 nan 0.000 0.409 411 V N 5.766 125.405 119.914 -0.459 0.000 2.531 411 V HA 0.412 4.530 4.120 -0.004 0.000 0.301 411 V C -0.370 175.597 176.094 -0.213 0.000 1.034 411 V CA -0.822 61.249 62.300 -0.382 0.000 0.865 411 V CB 2.001 33.383 31.823 -0.735 0.000 0.995 411 V HN 0.658 nan 8.190 nan 0.000 0.424 412 L N 4.820 125.977 121.223 -0.110 0.000 2.275 412 L HA 0.639 4.976 4.340 -0.004 0.000 0.288 412 L C -0.342 176.534 176.870 0.010 0.000 1.046 412 L CA -0.158 54.651 54.840 -0.052 0.000 0.805 412 L CB 0.489 42.506 42.059 -0.070 0.000 1.193 412 L HN 0.294 nan 8.230 nan 0.000 0.426 413 L N 2.800 124.045 121.223 0.038 0.000 2.483 413 L HA 0.099 4.436 4.340 -0.004 0.000 0.277 413 L C 1.078 177.954 176.870 0.011 0.000 1.248 413 L CA 0.583 55.455 54.840 0.052 0.000 0.825 413 L CB -0.116 41.970 42.059 0.046 0.000 1.096 413 L HN 0.722 nan 8.230 nan 0.000 0.512 414 D N -0.249 120.154 120.400 0.005 0.000 2.349 414 D HA 0.019 4.657 4.640 -0.004 0.000 0.214 414 D C 1.790 178.079 176.300 -0.020 0.000 1.063 414 D CA 0.050 54.036 54.000 -0.024 0.000 0.847 414 D CB 0.376 41.155 40.800 -0.035 0.000 0.933 414 D HN 0.327 nan 8.370 nan 0.000 0.513 415 R N 1.271 121.766 120.500 -0.009 0.000 2.082 415 R HA -0.078 4.260 4.340 -0.004 0.000 0.234 415 R C 0.430 176.724 176.300 -0.011 0.000 1.136 415 R CA 1.135 57.230 56.100 -0.008 0.000 0.935 415 R CB -0.205 30.092 30.300 -0.005 0.000 0.842 415 R HN -0.021 nan 8.270 nan 0.000 0.430 416 E N 1.250 121.444 120.200 -0.010 0.000 2.413 416 E HA -0.065 4.283 4.350 -0.004 0.000 0.263 416 E C 0.803 177.394 176.600 -0.015 0.000 1.015 416 E CA 0.165 56.559 56.400 -0.010 0.000 0.916 416 E CB 0.693 30.389 29.700 -0.007 0.000 0.947 416 E HN 0.326 nan 8.360 nan 0.000 0.440 417 E N 2.136 122.329 120.200 -0.012 0.000 2.057 417 E HA -0.021 4.327 4.350 -0.004 0.000 0.190 417 E C 0.208 176.801 176.600 -0.012 0.000 0.969 417 E CA 0.825 57.217 56.400 -0.013 0.000 0.812 417 E CB 0.153 29.847 29.700 -0.010 0.000 0.777 417 E HN 0.312 nan 8.360 nan 0.000 0.455 418 R N 0.818 121.314 120.500 -0.007 0.000 2.265 418 R HA 0.406 4.744 4.340 -0.004 0.000 0.319 418 R C -0.540 175.759 176.300 -0.002 0.000 1.006 418 R CA -0.491 55.607 56.100 -0.004 0.000 0.880 418 R CB 1.010 31.310 30.300 -0.001 0.000 1.077 418 R HN -0.069 nan 8.270 nan 0.000 0.454 419 I N 2.240 122.809 120.570 -0.002 0.000 2.339 419 I HA 0.110 4.277 4.170 -0.004 0.000 0.290 419 I C 1.277 177.400 176.117 0.010 0.000 0.994 419 I CA 0.172 61.473 61.300 0.002 0.000 1.191 419 I CB 1.712 39.711 38.000 -0.001 0.000 1.343 419 I HN 0.683 nan 8.210 nan 0.000 0.458 420 T N 3.743 118.305 114.554 0.013 0.000 2.152 420 T HA -0.272 4.075 4.350 -0.004 0.000 0.194 420 T C 0.256 174.969 174.700 0.020 0.000 1.715 420 T CA 2.192 64.302 62.100 0.017 0.000 1.135 420 T CB -0.428 68.452 68.868 0.020 0.000 0.856 420 T HN 0.842 nan 8.240 nan 0.000 0.393 421 D N 0.554 120.970 120.400 0.027 0.000 2.278 421 D HA 0.475 5.113 4.640 -0.004 0.000 0.245 421 D C 0.448 176.772 176.300 0.039 0.000 1.052 421 D CA -0.715 53.304 54.000 0.032 0.000 0.834 421 D CB 1.008 41.830 40.800 0.035 0.000 1.194 421 D HN 0.044 nan 8.370 nan 0.000 0.481 422 L N 2.378 123.624 121.223 0.038 0.000 2.276 422 L HA 0.356 4.694 4.340 -0.004 0.000 0.194 422 L C -1.809 175.101 176.870 0.066 0.000 1.099 422 L CA 0.149 55.015 54.840 0.043 0.000 0.800 422 L CB -1.375 40.700 42.059 0.028 0.000 0.994 422 L HN 0.442 nan 8.230 nan 0.000 0.475 423 P HA -0.036 nan 4.420 nan 0.000 0.255 423 P C 0.319 177.685 177.300 0.110 0.000 1.173 423 P CA 1.002 64.152 63.100 0.082 0.000 0.780 423 P CB 0.046 31.785 31.700 0.065 0.000 0.758 424 L N 2.372 123.688 121.223 0.156 0.000 2.653 424 L HA 0.029 4.366 4.340 -0.004 0.000 0.231 424 L C 1.174 178.158 176.870 0.191 0.000 1.153 424 L CA 0.079 55.036 54.840 0.195 0.000 0.933 424 L CB -0.215 42.027 42.059 0.306 0.000 1.175 424 L HN 0.260 nan 8.230 nan 0.000 0.473 425 D N 0.553 121.061 120.400 0.180 0.000 2.126 425 D HA -0.235 4.403 4.640 -0.004 0.000 0.190 425 D C 1.581 178.027 176.300 0.244 0.000 1.001 425 D CA 1.447 55.596 54.000 0.249 0.000 0.841 425 D CB -0.155 40.788 40.800 0.239 0.000 0.949 425 D HN 0.304 nan 8.370 nan 0.000 0.446 426 N N 0.297 119.085 118.700 0.147 0.000 2.409 426 N HA -0.037 4.700 4.740 -0.004 0.000 0.179 426 N C 1.924 177.417 175.510 -0.030 0.000 1.032 426 N CA 0.936 54.006 53.050 0.033 0.000 0.898 426 N CB -0.143 38.360 38.487 0.027 0.000 0.971 426 N HN 0.260 nan 8.380 nan 0.000 0.441 427 G N 1.283 110.100 108.800 0.028 0.000 2.404 427 G HA2 -0.144 3.813 3.960 -0.004 0.000 0.214 427 G HA3 -0.144 3.813 3.960 -0.004 0.000 0.214 427 G C 1.708 176.596 174.900 -0.020 0.000 1.189 427 G CA 0.647 45.759 45.100 0.019 0.000 0.789 427 G HN 0.129 nan 8.290 nan 0.000 0.533 428 V N 1.267 121.184 119.914 0.006 0.000 2.278 428 V HA -0.267 3.850 4.120 -0.004 0.000 0.251 428 V C 2.784 178.773 176.094 -0.174 0.000 1.062 428 V CA 2.328 64.559 62.300 -0.115 0.000 1.038 428 V CB -0.621 31.087 31.823 -0.191 0.000 0.646 428 V HN 0.408 nan 8.190 nan 0.000 0.447 429 R N 0.743 121.138 120.500 -0.174 0.000 2.091 429 R HA -0.185 4.152 4.340 -0.004 0.000 0.238 429 R C 2.436 178.471 176.300 -0.442 0.000 1.136 429 R CA 2.210 58.080 56.100 -0.384 0.000 0.959 429 R CB -0.322 29.587 30.300 -0.653 0.000 0.856 429 R HN 0.701 nan 8.270 nan 0.000 0.437 430 S N 0.915 116.426 115.700 -0.315 0.000 2.436 430 S HA -0.095 4.372 4.470 -0.004 0.000 0.228 430 S C 1.925 176.382 174.600 -0.238 0.000 1.014 430 S CA 0.506 58.536 58.200 -0.282 0.000 0.950 430 S CB -0.322 62.754 63.200 -0.206 0.000 0.784 430 S HN 0.272 nan 8.310 nan 0.000 0.504 431 L N 2.374 123.468 121.223 -0.214 0.000 1.989 431 L HA 0.088 4.426 4.340 -0.004 0.000 0.211 431 L C 2.051 178.773 176.870 -0.246 0.000 1.071 431 L CA 1.643 56.349 54.840 -0.224 0.000 0.749 431 L CB -1.252 40.665 42.059 -0.236 0.000 0.890 431 L HN 0.333 nan 8.230 nan 0.000 0.431 432 L N -1.035 120.020 121.223 -0.280 0.000 2.265 432 L HA -0.192 4.146 4.340 -0.004 0.000 0.215 432 L C 2.463 179.217 176.870 -0.194 0.000 1.117 432 L CA 1.027 55.708 54.840 -0.266 0.000 0.782 432 L CB -0.369 41.530 42.059 -0.268 0.000 0.914 432 L HN 0.313 nan 8.230 nan 0.000 0.441 433 I N -0.800 119.619 120.570 -0.252 0.000 2.480 433 I HA -0.073 4.094 4.170 -0.004 0.000 0.251 433 I C 2.529 178.553 176.117 -0.154 0.000 1.124 433 I CA 1.073 62.237 61.300 -0.227 0.000 1.444 433 I CB -0.535 37.243 38.000 -0.370 0.000 1.098 433 I HN 0.203 nan 8.210 nan 0.000 0.428 434 G N 0.249 108.953 108.800 -0.159 0.000 2.396 434 G HA2 -0.137 3.820 3.960 -0.004 0.000 0.214 434 G HA3 -0.137 3.820 3.960 -0.004 0.000 0.214 434 G C 0.756 175.605 174.900 -0.086 0.000 1.166 434 G CA 0.145 45.173 45.100 -0.120 0.000 0.793 434 G HN 0.410 nan 8.290 nan 0.000 0.533 435 C N 2.412 121.657 119.300 -0.093 0.000 2.400 435 C HA 0.348 4.805 4.460 -0.004 0.000 0.457 435 C C 1.501 176.465 174.990 -0.044 0.000 1.020 435 C CA -0.987 57.998 59.018 -0.055 0.000 1.258 435 C CB -1.096 26.607 27.740 -0.060 0.000 1.532 435 C HN 0.597 nan 8.230 nan 0.000 0.537 436 K N 0.480 120.863 120.400 -0.028 0.000 2.417 436 K HA 0.099 4.416 4.320 -0.004 0.000 0.196 436 K C 1.011 177.615 176.600 0.006 0.000 1.023 436 K CA 0.266 56.543 56.287 -0.018 0.000 1.122 436 K CB 0.141 32.630 32.500 -0.018 0.000 0.850 436 K HN 0.498 nan 8.250 nan 0.000 0.521 437 K N 0.798 121.211 120.400 0.021 0.000 2.404 437 K HA 0.116 4.434 4.320 -0.004 0.000 0.194 437 K C -0.052 176.588 176.600 0.065 0.000 1.023 437 K CA -0.324 55.989 56.287 0.043 0.000 1.094 437 K CB 0.157 32.687 32.500 0.050 0.000 0.841 437 K HN 0.038 nan 8.250 nan 0.000 0.523 438 L N 1.912 123.171 121.223 0.061 0.000 2.562 438 L HA -0.060 4.277 4.340 -0.004 0.000 0.271 438 L C 1.099 178.043 176.870 0.123 0.000 1.167 438 L CA 0.768 55.670 54.840 0.103 0.000 0.917 438 L CB 0.257 42.357 42.059 0.068 0.000 1.187 438 L HN 0.035 nan 8.230 nan 0.000 0.482 439 R N 3.347 123.950 120.500 0.172 0.000 2.221 439 R HA 0.255 4.592 4.340 -0.004 0.000 0.195 439 R C -0.091 176.378 176.300 0.281 0.000 0.956 439 R CA 0.084 56.297 56.100 0.188 0.000 1.064 439 R CB 0.473 30.872 30.300 0.164 0.000 1.049 439 R HN 0.540 nan 8.270 nan 0.000 0.534 440 R N 0.204 120.919 120.500 0.359 0.000 2.686 440 R HA 0.383 4.721 4.340 -0.004 0.000 0.286 440 R C -1.562 175.058 176.300 0.534 0.000 0.969 440 R CA -0.643 55.791 56.100 0.556 0.000 0.898 440 R CB 2.153 32.840 30.300 0.644 0.000 1.183 440 R HN -0.136 nan 8.270 nan 0.000 0.456 441 F N 1.327 121.384 119.950 0.177 0.000 2.607 441 F HA 0.630 5.155 4.527 -0.004 0.000 0.322 441 F C -1.658 174.038 175.800 -0.173 0.000 1.176 441 F CA -0.490 57.558 58.000 0.080 0.000 0.977 441 F CB 1.868 40.918 39.000 0.083 0.000 1.242 441 F HN 0.682 nan 8.300 nan 0.000 0.465 442 A N 5.428 127.859 122.820 -0.647 0.000 2.356 442 A HA 0.812 5.130 4.320 -0.004 0.000 0.310 442 A C -2.254 175.016 177.584 -0.524 0.000 1.075 442 A CA -0.486 51.202 52.037 -0.582 0.000 0.746 442 A CB 0.943 19.765 19.000 -0.297 0.000 1.221 442 A HN 0.709 nan 8.150 nan 0.000 0.443 443 F N 2.355 121.991 119.950 -0.524 0.000 2.902 443 F HA 0.462 4.987 4.527 -0.004 0.000 0.368 443 F C -1.502 174.254 175.800 -0.072 0.000 1.202 443 F CA -0.380 57.440 58.000 -0.301 0.000 1.109 443 F CB 1.262 40.094 39.000 -0.279 0.000 1.418 443 F HN 0.587 nan 8.300 nan 0.000 0.527 444 Y N 7.082 127.178 120.300 -0.340 0.000 2.338 444 Y HA 0.674 5.222 4.550 -0.004 0.000 0.328 444 Y C -1.111 174.677 175.900 -0.186 0.000 0.965 444 Y CA -0.544 57.450 58.100 -0.176 0.000 1.208 444 Y CB 0.795 39.152 38.460 -0.172 0.000 1.132 444 Y HN 0.495 nan 8.280 nan 0.000 0.469 445 L N 3.847 125.029 121.223 -0.070 0.000 2.818 445 L HA 0.657 4.995 4.340 -0.004 0.000 0.230 445 L C -0.460 176.351 176.870 -0.099 0.000 2.013 445 L CA -1.376 53.421 54.840 -0.071 0.000 2.420 445 L CB 0.938 42.946 42.059 -0.085 0.000 2.612 445 L HN 0.381 nan 8.230 nan 0.000 0.595 446 R N -0.735 119.694 120.500 -0.118 0.000 2.855 446 R HA 0.228 4.566 4.340 -0.004 0.000 0.266 446 R C 0.373 176.615 176.300 -0.096 0.000 1.034 446 R CA -0.586 55.370 56.100 -0.240 0.000 0.944 446 R CB 1.683 31.877 30.300 -0.176 0.000 1.219 446 R HN 0.363 nan 8.270 nan 0.000 0.474 447 Q N 0.879 120.622 119.800 -0.096 0.000 2.045 447 Q HA -0.095 4.242 4.340 -0.004 0.000 0.206 447 Q C 1.597 177.603 176.000 0.009 0.000 0.991 447 Q CA 2.571 58.376 55.803 0.004 0.000 0.851 447 Q CB -0.759 27.982 28.738 0.005 0.000 0.911 447 Q HN 0.906 nan 8.270 nan 0.000 0.418 448 G N -0.579 108.218 108.800 -0.004 0.000 2.586 448 G HA2 -0.134 3.823 3.960 -0.004 0.000 0.215 448 G HA3 -0.134 3.823 3.960 -0.004 0.000 0.215 448 G C 1.363 176.282 174.900 0.032 0.000 1.128 448 G CA 0.807 45.914 45.100 0.012 0.000 0.774 448 G HN 0.510 nan 8.290 nan 0.000 0.543 449 G N -0.286 108.535 108.800 0.035 0.000 2.440 449 G HA2 0.090 4.047 3.960 -0.004 0.000 0.218 449 G HA3 0.090 4.047 3.960 -0.004 0.000 0.218 449 G C 0.371 175.342 174.900 0.119 0.000 1.154 449 G CA 0.739 45.877 45.100 0.063 0.000 0.767 449 G HN 0.450 nan 8.290 nan 0.000 0.552 450 L N -0.016 121.278 121.223 0.118 0.000 2.472 450 L HA 0.545 4.882 4.340 -0.004 0.000 0.260 450 L C 0.081 177.003 176.870 0.086 0.000 0.963 450 L CA -0.497 54.425 54.840 0.137 0.000 0.829 450 L CB 2.375 44.557 42.059 0.205 0.000 1.348 450 L HN 0.153 nan 8.230 nan 0.000 0.408 451 T N -1.444 113.147 114.554 0.061 0.000 2.927 451 T HA 0.328 4.675 4.350 -0.004 0.000 0.281 451 T C 0.547 175.252 174.700 0.008 0.000 0.998 451 T CA -0.486 61.632 62.100 0.030 0.000 1.019 451 T CB 1.026 69.900 68.868 0.011 0.000 1.061 451 T HN 0.584 nan 8.240 nan 0.000 0.518 452 D N 0.161 120.565 120.400 0.007 0.000 2.203 452 D HA -0.115 4.522 4.640 -0.004 0.000 0.199 452 D C 1.847 178.094 176.300 -0.089 0.000 0.997 452 D CA 0.710 54.706 54.000 -0.008 0.000 0.863 452 D CB -0.178 40.622 40.800 0.000 0.000 0.928 452 D HN 0.423 nan 8.370 nan 0.000 0.458 453 L N 0.428 121.564 121.223 -0.146 0.000 2.056 453 L HA -0.054 4.283 4.340 -0.004 0.000 0.207 453 L C 2.164 178.673 176.870 -0.602 0.000 1.078 453 L CA 1.853 56.492 54.840 -0.334 0.000 0.749 453 L CB -0.934 40.959 42.059 -0.276 0.000 0.901 453 L HN 0.089 nan 8.230 nan 0.000 0.433 454 G N 0.061 108.666 108.800 -0.324 0.000 2.418 454 G HA2 -0.279 3.678 3.960 -0.004 0.000 0.217 454 G HA3 -0.279 3.678 3.960 -0.004 0.000 0.217 454 G C 1.674 176.560 174.900 -0.024 0.000 1.158 454 G CA 0.702 45.720 45.100 -0.137 0.000 0.771 454 G HN 0.376 nan 8.290 nan 0.000 0.545 455 L N 1.245 122.467 121.223 -0.001 0.000 2.079 455 L HA -0.155 4.182 4.340 -0.004 0.000 0.210 455 L C 3.258 180.206 176.870 0.129 0.000 1.081 455 L CA 1.852 56.734 54.840 0.070 0.000 0.752 455 L CB -0.234 41.856 42.059 0.051 0.000 0.896 455 L HN 0.474 nan 8.230 nan 0.000 0.433 456 S N -1.350 114.354 115.700 0.007 0.000 2.402 456 S HA -0.221 4.246 4.470 -0.004 0.000 0.229 456 S C 1.931 176.590 174.600 0.099 0.000 1.021 456 S CA 0.743 58.956 58.200 0.021 0.000 0.974 456 S CB -0.671 62.486 63.200 -0.072 0.000 0.800 456 S HN 0.542 nan 8.310 nan 0.000 0.484 457 Y N 1.194 121.545 120.300 0.086 0.000 2.224 457 Y HA -0.049 4.499 4.550 -0.005 0.000 0.289 457 Y C 2.419 178.389 175.900 0.117 0.000 1.146 457 Y CA 1.026 59.213 58.100 0.145 0.000 1.182 457 Y CB -0.287 38.260 38.460 0.144 0.000 0.983 457 Y HN 0.280 nan 8.280 nan 0.000 0.524 458 I N -0.417 120.298 120.570 0.242 0.000 2.226 458 I HA -0.267 3.900 4.170 -0.004 0.000 0.245 458 I C 2.628 178.799 176.117 0.090 0.000 1.100 458 I CA 1.523 62.904 61.300 0.135 0.000 1.374 458 I CB -0.729 37.396 38.000 0.209 0.000 1.057 458 I HN 0.239 nan 8.210 nan 0.000 0.413 459 G N -0.626 108.228 108.800 0.090 0.000 2.448 459 G HA2 -0.232 3.725 3.960 -0.004 0.000 0.218 459 G HA3 -0.232 3.725 3.960 -0.004 0.000 0.218 459 G C 1.577 176.353 174.900 -0.208 0.000 1.135 459 G CA 0.228 45.197 45.100 -0.218 0.000 0.784 459 G HN 0.372 nan 8.290 nan 0.000 0.543 460 Q N -1.011 118.688 119.800 -0.168 0.000 2.187 460 Q HA 0.054 4.391 4.340 -0.004 0.000 0.199 460 Q C 0.638 176.327 176.000 -0.519 0.000 0.957 460 Q CA 0.604 56.178 55.803 -0.382 0.000 0.857 460 Q CB 0.077 28.527 28.738 -0.481 0.000 0.929 460 Q HN 0.650 nan 8.270 nan 0.000 0.453 461 Y N -0.387 119.863 120.300 -0.083 0.000 2.751 461 Y HA 0.223 4.771 4.550 -0.003 0.000 0.289 461 Y C -0.142 175.664 175.900 -0.156 0.000 1.110 461 Y CA -0.512 57.516 58.100 -0.120 0.000 1.251 461 Y CB 1.027 39.400 38.460 -0.145 0.000 1.178 461 Y HN 0.005 nan 8.280 nan 0.000 0.540 462 S N -1.450 114.214 115.700 -0.061 0.000 2.327 462 S HA 0.234 4.701 4.470 -0.004 0.000 0.203 462 S C -2.177 172.385 174.600 -0.062 0.000 1.326 462 S CA -1.100 57.045 58.200 -0.091 0.000 1.248 462 S CB 0.527 63.637 63.200 -0.149 0.000 1.199 462 S HN 0.064 nan 8.310 nan 0.000 0.422 463 P HA -0.044 nan 4.420 nan 0.000 0.222 463 P C 0.321 177.616 177.300 -0.008 0.000 1.147 463 P CA 1.014 64.093 63.100 -0.036 0.000 0.790 463 P CB 0.028 31.710 31.700 -0.029 0.000 0.780 464 N N -0.763 117.941 118.700 0.006 0.000 2.205 464 N HA 0.070 4.807 4.740 -0.004 0.000 0.201 464 N C -0.023 175.526 175.510 0.065 0.000 1.128 464 N CA 0.008 53.078 53.050 0.035 0.000 0.867 464 N CB 0.729 39.238 38.487 0.038 0.000 0.996 464 N HN 0.019 nan 8.380 nan 0.000 0.503 465 V N 1.756 121.706 119.914 0.061 0.000 2.439 465 V HA 0.112 4.229 4.120 -0.004 0.000 0.271 465 V C 1.331 177.510 176.094 0.141 0.000 1.040 465 V CA 0.099 62.466 62.300 0.113 0.000 1.002 465 V CB 1.294 33.172 31.823 0.093 0.000 1.000 465 V HN 0.008 nan 8.190 nan 0.000 0.477 466 R N 3.107 123.724 120.500 0.194 0.000 2.156 466 R HA 0.120 4.457 4.340 -0.004 0.000 0.207 466 R C 0.021 176.504 176.300 0.306 0.000 1.040 466 R CA 0.369 56.598 56.100 0.214 0.000 1.013 466 R CB 0.344 30.762 30.300 0.196 0.000 0.931 466 R HN 0.741 nan 8.270 nan 0.000 0.465 467 W N 0.332 121.718 121.300 0.143 0.000 2.785 467 W HA 0.591 5.248 4.660 -0.005 0.000 0.333 467 W C -1.599 175.042 176.519 0.203 0.000 1.062 467 W CA -0.880 56.553 57.345 0.148 0.000 1.233 467 W CB 1.143 30.661 29.460 0.098 0.000 1.413 467 W HN -0.253 nan 8.180 nan 0.000 0.489 468 M N 6.767 125.997 119.600 -0.616 0.000 2.326 468 M HA 0.349 4.827 4.480 -0.004 0.000 0.292 468 M C -1.618 174.141 176.300 -0.901 0.000 1.081 468 M CA -1.178 53.704 55.300 -0.697 0.000 0.919 468 M CB 2.095 34.665 32.600 -0.051 0.000 1.634 468 M HN 0.420 nan 8.290 nan 0.000 0.451 469 L N 5.335 125.989 121.223 -0.947 0.000 2.298 469 L HA 0.660 4.997 4.340 -0.004 0.000 0.284 469 L C -1.884 174.875 176.870 -0.185 0.000 1.013 469 L CA -0.133 54.483 54.840 -0.373 0.000 0.824 469 L CB 0.894 42.836 42.059 -0.194 0.000 1.221 469 L HN 0.647 nan 8.230 nan 0.000 0.418 470 L N 5.650 126.824 121.223 -0.081 0.000 2.313 470 L HA 0.619 4.956 4.340 -0.004 0.000 0.283 470 L C 1.020 177.813 176.870 -0.129 0.000 1.013 470 L CA -0.433 54.371 54.840 -0.061 0.000 0.816 470 L CB 1.627 43.635 42.059 -0.085 0.000 1.236 470 L HN 0.793 nan 8.230 nan 0.000 0.419 471 G N 1.440 110.128 108.800 -0.188 0.000 2.620 471 G HA2 -0.072 3.885 3.960 -0.004 0.000 0.200 471 G HA3 -0.072 3.885 3.960 -0.004 0.000 0.200 471 G C -0.249 174.306 174.900 -0.575 0.000 1.710 471 G CA 0.341 45.054 45.100 -0.645 0.000 0.919 471 G HN 0.490 nan 8.290 nan 0.000 0.455 472 Y N 0.982 121.018 120.300 -0.439 0.000 2.696 472 Y HA 0.415 4.963 4.550 -0.004 0.000 0.378 472 Y C 0.664 176.459 175.900 -0.175 0.000 1.012 472 Y CA -1.081 56.834 58.100 -0.309 0.000 1.396 472 Y CB 0.434 38.732 38.460 -0.269 0.000 1.415 472 Y HN 0.254 nan 8.280 nan 0.000 0.569 473 V N -1.546 118.333 119.914 -0.059 0.000 3.134 473 V HA 0.978 5.096 4.120 -0.004 0.000 0.313 473 V C 0.774 176.888 176.094 0.033 0.000 1.069 473 V CA -0.239 62.085 62.300 0.040 0.000 1.048 473 V CB 0.898 32.782 31.823 0.101 0.000 1.119 473 V HN 0.654 nan 8.190 nan 0.000 0.461 474 G N 2.165 111.026 108.800 0.103 0.000 2.855 474 G HA2 -0.161 3.797 3.960 -0.004 0.000 0.352 474 G HA3 -0.161 3.797 3.960 -0.004 0.000 0.352 474 G C -0.112 174.831 174.900 0.073 0.000 1.415 474 G CA 0.506 45.691 45.100 0.141 0.000 0.871 474 G HN 1.095 nan 8.290 nan 0.000 0.543 475 E N -0.682 119.576 120.200 0.097 0.000 2.399 475 E HA 0.348 4.695 4.350 -0.004 0.000 0.206 475 E C 1.138 177.784 176.600 0.077 0.000 0.812 475 E CA 0.548 56.980 56.400 0.055 0.000 1.138 475 E CB 0.867 30.592 29.700 0.042 0.000 1.140 475 E HN 1.086 nan 8.360 nan 0.000 0.536 476 S N -0.197 115.592 115.700 0.148 0.000 2.705 476 S HA 0.206 4.673 4.470 -0.004 0.000 0.280 476 S C -0.320 174.429 174.600 0.248 0.000 1.174 476 S CA -0.678 57.621 58.200 0.166 0.000 0.823 476 S CB 1.337 64.588 63.200 0.086 0.000 1.162 476 S HN -0.185 nan 8.310 nan 0.000 0.487 477 D N 0.985 121.496 120.400 0.186 0.000 2.228 477 D HA -0.072 4.565 4.640 -0.004 0.000 0.203 477 D C 1.592 177.877 176.300 -0.025 0.000 0.988 477 D CA 1.143 55.188 54.000 0.075 0.000 0.864 477 D CB -0.160 40.673 40.800 0.054 0.000 0.928 477 D HN 0.547 nan 8.370 nan 0.000 0.469 478 E N 0.193 120.400 120.200 0.011 0.000 2.130 478 E HA -0.142 4.206 4.350 -0.004 0.000 0.196 478 E C 2.179 178.758 176.600 -0.035 0.000 0.998 478 E CA 1.199 57.592 56.400 -0.012 0.000 0.806 478 E CB -0.408 29.294 29.700 0.002 0.000 0.738 478 E HN 0.418 nan 8.360 nan 0.000 0.459 479 G N 1.049 109.837 108.800 -0.021 0.000 2.394 479 G HA2 -0.202 3.755 3.960 -0.004 0.000 0.214 479 G HA3 -0.202 3.755 3.960 -0.004 0.000 0.214 479 G C 1.616 176.432 174.900 -0.139 0.000 1.176 479 G CA 0.509 45.592 45.100 -0.029 0.000 0.786 479 G HN 0.212 nan 8.290 nan 0.000 0.533 480 L N 0.507 121.465 121.223 -0.441 0.000 2.017 480 L HA 0.056 4.393 4.340 -0.004 0.000 0.208 480 L C 2.687 179.457 176.870 -0.165 0.000 1.073 480 L CA 1.987 56.469 54.840 -0.597 0.000 0.745 480 L CB -0.377 40.983 42.059 -1.166 0.000 0.894 480 L HN 0.263 nan 8.230 nan 0.000 0.432 481 M N -1.260 118.252 119.600 -0.145 0.000 2.117 481 M HA -0.194 4.284 4.480 -0.004 0.000 0.262 481 M C 2.044 178.324 176.300 -0.034 0.000 1.065 481 M CA 1.735 56.994 55.300 -0.069 0.000 1.114 481 M CB -0.298 32.264 32.600 -0.063 0.000 1.361 481 M HN 0.293 nan 8.290 nan 0.000 0.408 482 E N 0.032 120.217 120.200 -0.025 0.000 2.077 482 E HA -0.209 4.138 4.350 -0.004 0.000 0.193 482 E C 1.750 178.351 176.600 0.002 0.000 0.989 482 E CA 1.353 57.741 56.400 -0.020 0.000 0.800 482 E CB -0.758 28.927 29.700 -0.025 0.000 0.746 482 E HN 0.627 nan 8.360 nan 0.000 0.452 483 F N 2.251 122.135 119.950 -0.110 0.000 2.095 483 F HA -0.252 4.273 4.527 -0.004 0.000 0.298 483 F C 2.479 178.227 175.800 -0.087 0.000 1.104 483 F CA 2.086 60.030 58.000 -0.092 0.000 1.232 483 F CB -0.432 38.506 39.000 -0.103 0.000 0.987 483 F HN 0.008 nan 8.300 nan 0.000 0.475 484 S N 1.105 116.770 115.700 -0.058 0.000 2.507 484 S HA -0.209 4.258 4.470 -0.004 0.000 0.235 484 S C 1.795 176.280 174.600 -0.192 0.000 0.988 484 S CA 0.738 58.845 58.200 -0.154 0.000 0.944 484 S CB -0.953 62.235 63.200 -0.021 0.000 0.762 484 S HN 0.728 nan 8.310 nan 0.000 0.526 485 R N 0.468 120.865 120.500 -0.172 0.000 2.320 485 R HA 0.408 4.745 4.340 -0.004 0.000 0.211 485 R C 1.038 177.228 176.300 -0.184 0.000 0.931 485 R CA 0.320 56.332 56.100 -0.148 0.000 1.071 485 R CB -0.270 29.967 30.300 -0.105 0.000 1.025 485 R HN 0.366 nan 8.270 nan 0.000 0.495 486 G N 0.037 108.673 108.800 -0.274 0.000 3.099 486 G HA2 0.287 4.244 3.960 -0.004 0.000 0.151 486 G HA3 0.287 4.244 3.960 -0.004 0.000 0.151 486 G C -0.541 174.181 174.900 -0.296 0.000 1.265 486 G CA -0.190 44.742 45.100 -0.279 0.000 0.981 486 G HN 0.298 nan 8.290 nan 0.000 0.601 487 C N 0.580 119.707 119.300 -0.289 0.000 3.896 487 C HA -0.090 4.367 4.460 -0.004 0.000 0.300 487 C C -0.821 174.092 174.990 -0.129 0.000 1.322 487 C CA -0.281 58.602 59.018 -0.225 0.000 2.130 487 C CB -2.103 25.431 27.740 -0.344 0.000 1.363 487 C HN 0.575 nan 8.230 nan 0.000 0.642 488 P HA -0.124 nan 4.420 nan 0.000 0.217 488 P C 0.714 178.002 177.300 -0.020 0.000 1.148 488 P CA 1.757 64.821 63.100 -0.059 0.000 0.828 488 P CB 0.024 31.693 31.700 -0.052 0.000 0.783 489 N N -1.780 116.918 118.700 -0.003 0.000 2.200 489 N HA 0.154 4.892 4.740 -0.004 0.000 0.224 489 N C -0.209 175.345 175.510 0.072 0.000 1.179 489 N CA -0.305 52.768 53.050 0.038 0.000 0.877 489 N CB 0.242 38.755 38.487 0.043 0.000 1.072 489 N HN 0.034 nan 8.380 nan 0.000 0.519 490 L N 1.747 123.007 121.223 0.062 0.000 2.500 490 L HA 0.039 4.377 4.340 -0.004 0.000 0.272 490 L C 0.797 177.764 176.870 0.160 0.000 1.149 490 L CA 0.604 55.512 54.840 0.114 0.000 0.897 490 L CB 0.781 42.894 42.059 0.090 0.000 1.178 490 L HN 0.339 nan 8.230 nan 0.000 0.473 491 Q N 3.198 123.121 119.800 0.206 0.000 2.387 491 Q HA 0.078 4.415 4.340 -0.004 0.000 0.212 491 Q C 0.111 176.301 176.000 0.317 0.000 0.925 491 Q CA 0.565 56.515 55.803 0.245 0.000 0.901 491 Q CB 0.736 29.607 28.738 0.223 0.000 1.020 491 Q HN 0.457 nan 8.270 nan 0.000 0.545 492 K N 1.061 121.659 120.400 0.330 0.000 2.413 492 K HA 0.383 4.700 4.320 -0.004 0.000 0.257 492 K C -1.915 174.909 176.600 0.374 0.000 0.946 492 K CA -0.521 56.002 56.287 0.393 0.000 0.823 492 K CB 1.336 34.029 32.500 0.321 0.000 1.109 492 K HN -0.080 nan 8.250 nan 0.000 0.427 493 L N 3.564 125.020 121.223 0.389 0.000 2.349 493 L HA 0.447 4.785 4.340 -0.004 0.000 0.278 493 L C -1.434 175.633 176.870 0.327 0.000 0.996 493 L CA 0.040 55.048 54.840 0.280 0.000 0.825 493 L CB 1.704 43.926 42.059 0.271 0.000 1.243 493 L HN 0.644 nan 8.230 nan 0.000 0.412 494 E N 6.336 126.686 120.200 0.250 0.000 2.165 494 E HA 0.575 4.922 4.350 -0.004 0.000 0.266 494 E C -1.200 175.527 176.600 0.211 0.000 0.889 494 E CA -0.369 56.263 56.400 0.388 0.000 0.756 494 E CB 1.820 31.804 29.700 0.473 0.000 1.131 494 E HN 0.602 nan 8.360 nan 0.000 0.411 495 M N 3.340 123.027 119.600 0.144 0.000 2.326 495 M HA 0.486 4.964 4.480 -0.004 0.000 0.306 495 M C -0.472 175.780 176.300 -0.081 0.000 1.054 495 M CA -0.751 54.548 55.300 -0.001 0.000 0.922 495 M CB 2.422 35.006 32.600 -0.028 0.000 1.632 495 M HN 0.420 nan 8.290 nan 0.000 0.436 496 R N 0.741 121.156 120.500 -0.142 0.000 2.808 496 R HA 0.775 5.112 4.340 -0.004 0.000 0.272 496 R C 0.205 176.166 176.300 -0.565 0.000 0.995 496 R CA 0.060 56.027 56.100 -0.223 0.000 0.917 496 R CB 1.794 32.099 30.300 0.007 0.000 1.217 496 R HN 0.848 nan 8.270 nan 0.000 0.471 497 G N 0.691 109.126 108.800 -0.609 0.000 2.249 497 G HA2 -0.264 3.694 3.960 -0.004 0.000 0.273 497 G HA3 -0.264 3.694 3.960 -0.004 0.000 0.273 497 G C -0.312 174.024 174.900 -0.939 0.000 1.036 497 G CA 0.411 44.837 45.100 -1.122 0.000 0.824 497 G HN 0.624 nan 8.290 nan 0.000 0.504 498 C N -0.880 118.060 119.300 -0.600 0.000 2.454 498 C HA 0.546 5.003 4.460 -0.004 0.000 0.336 498 C C 2.300 176.945 174.990 -0.574 0.000 1.189 498 C CA -0.203 58.404 59.018 -0.685 0.000 1.877 498 C CB 1.001 28.207 27.740 -0.890 0.000 2.348 498 C HN 0.807 nan 8.230 nan 0.000 0.508 499 C N -0.722 118.181 119.300 -0.662 0.000 2.464 499 C HA 0.121 4.578 4.460 -0.004 0.000 0.278 499 C C 1.092 175.965 174.990 -0.194 0.000 1.375 499 C CA -0.434 58.377 59.018 -0.344 0.000 1.761 499 C CB -1.950 25.650 27.740 -0.233 0.000 1.944 499 C HN 0.765 nan 8.230 nan 0.000 0.509 500 F N 3.702 123.642 119.950 -0.016 0.000 2.628 500 F HA 0.117 4.642 4.527 -0.003 0.000 0.362 500 F C 1.339 177.167 175.800 0.047 0.000 1.106 500 F CA 0.389 58.390 58.000 0.002 0.000 1.333 500 F CB 0.099 39.084 39.000 -0.023 0.000 0.996 500 F HN 0.295 nan 8.300 nan 0.000 0.608 501 S N 1.136 116.976 115.700 0.234 0.000 2.652 501 S HA 0.205 4.673 4.470 -0.004 0.000 0.270 501 S C 0.777 175.473 174.600 0.159 0.000 1.243 501 S CA -0.840 57.462 58.200 0.170 0.000 0.999 501 S CB 1.506 64.773 63.200 0.111 0.000 0.973 501 S HN 0.728 nan 8.310 nan 0.000 0.544 502 E N 1.042 121.342 120.200 0.167 0.000 2.070 502 E HA -0.233 4.114 4.350 -0.004 0.000 0.197 502 E C 2.337 178.967 176.600 0.050 0.000 1.004 502 E CA 1.530 57.993 56.400 0.105 0.000 0.805 502 E CB -0.212 29.564 29.700 0.127 0.000 0.744 502 E HN 0.695 nan 8.360 nan 0.000 0.451 503 R N 1.119 121.649 120.500 0.051 0.000 2.148 503 R HA -0.003 4.334 4.340 -0.004 0.000 0.227 503 R C 1.966 178.274 176.300 0.013 0.000 1.103 503 R CA 1.366 57.482 56.100 0.026 0.000 0.983 503 R CB -0.383 29.931 30.300 0.024 0.000 0.874 503 R HN 0.118 nan 8.270 nan 0.000 0.451 504 A N 2.312 125.145 122.820 0.022 0.000 1.898 504 A HA 0.005 4.323 4.320 -0.004 0.000 0.216 504 A C 2.396 179.961 177.584 -0.032 0.000 1.181 504 A CA 1.102 53.133 52.037 -0.010 0.000 0.620 504 A CB -0.273 18.727 19.000 0.000 0.000 0.819 504 A HN 0.223 nan 8.150 nan 0.000 0.442 505 I N 0.174 120.741 120.570 -0.004 0.000 2.099 505 I HA -0.303 3.864 4.170 -0.004 0.000 0.239 505 I C 3.002 179.111 176.117 -0.013 0.000 1.066 505 I CA 1.712 63.002 61.300 -0.016 0.000 1.324 505 I CB -1.575 36.399 38.000 -0.044 0.000 1.037 505 I HN 0.371 nan 8.210 nan 0.000 0.401 506 A N 0.850 123.664 122.820 -0.009 0.000 1.948 506 A HA -0.153 4.164 4.320 -0.004 0.000 0.220 506 A C 2.510 180.077 177.584 -0.029 0.000 1.177 506 A CA 2.290 54.323 52.037 -0.007 0.000 0.636 506 A CB -0.727 18.274 19.000 0.001 0.000 0.815 506 A HN 0.493 nan 8.150 nan 0.000 0.449 507 A N -0.695 122.107 122.820 -0.029 0.000 1.970 507 A HA 0.363 4.680 4.320 -0.004 0.000 0.216 507 A C 2.424 179.980 177.584 -0.046 0.000 1.170 507 A CA 1.504 53.518 52.037 -0.039 0.000 0.645 507 A CB -0.770 18.211 19.000 -0.032 0.000 0.816 507 A HN 0.966 nan 8.150 nan 0.000 0.447 508 A N -0.361 122.435 122.820 -0.040 0.000 1.930 508 A HA 0.022 4.339 4.320 -0.004 0.000 0.217 508 A C 2.170 179.739 177.584 -0.025 0.000 1.175 508 A CA 1.643 53.665 52.037 -0.025 0.000 0.627 508 A CB -0.864 18.134 19.000 -0.003 0.000 0.815 508 A HN 0.330 nan 8.150 nan 0.000 0.443 509 V N -0.039 119.854 119.914 -0.034 0.000 2.332 509 V HA -0.260 3.857 4.120 -0.004 0.000 0.248 509 V C 2.762 178.759 176.094 -0.161 0.000 1.055 509 V CA 2.544 64.794 62.300 -0.083 0.000 1.038 509 V CB -1.257 30.511 31.823 -0.091 0.000 0.651 509 V HN 0.625 nan 8.190 nan 0.000 0.450 510 T N -0.609 113.859 114.554 -0.143 0.000 2.720 510 T HA -0.263 4.085 4.350 -0.004 0.000 0.268 510 T C 1.945 176.588 174.700 -0.096 0.000 1.037 510 T CA 1.760 63.781 62.100 -0.132 0.000 1.144 510 T CB -0.230 68.581 68.868 -0.095 0.000 0.864 510 T HN 0.428 nan 8.240 nan 0.000 0.444 511 K N 0.205 120.559 120.400 -0.077 0.000 2.217 511 K HA 0.136 4.453 4.320 -0.004 0.000 0.202 511 K C 0.335 176.891 176.600 -0.073 0.000 1.051 511 K CA 0.341 56.586 56.287 -0.070 0.000 0.952 511 K CB -0.150 32.309 32.500 -0.069 0.000 0.736 511 K HN 0.295 nan 8.250 nan 0.000 0.453 512 L N 2.943 124.125 121.223 -0.069 0.000 2.385 512 L HA 0.057 4.394 4.340 -0.004 0.000 0.281 512 L C -1.394 175.457 176.870 -0.032 0.000 1.106 512 L CA -1.291 53.515 54.840 -0.056 0.000 0.856 512 L CB 0.589 42.634 42.059 -0.025 0.000 1.186 512 L HN 0.054 nan 8.230 nan 0.000 0.453 513 P HA -0.120 nan 4.420 nan 0.000 0.215 513 P C 1.025 178.344 177.300 0.032 0.000 1.153 513 P CA 1.073 64.169 63.100 -0.008 0.000 0.853 513 P CB 0.429 32.118 31.700 -0.018 0.000 0.788 514 S N -1.079 114.651 115.700 0.051 0.000 2.524 514 S HA 0.126 4.593 4.470 -0.004 0.000 0.215 514 S C 0.748 175.449 174.600 0.169 0.000 0.986 514 S CA -0.497 57.763 58.200 0.099 0.000 0.911 514 S CB -0.475 62.777 63.200 0.087 0.000 0.805 514 S HN 0.005 nan 8.310 nan 0.000 0.501 515 L N 3.624 124.943 121.223 0.160 0.000 2.559 515 L HA 0.098 4.435 4.340 -0.004 0.000 0.274 515 L C 0.934 178.022 176.870 0.363 0.000 1.205 515 L CA 0.659 55.638 54.840 0.232 0.000 0.907 515 L CB 0.448 42.603 42.059 0.161 0.000 1.153 515 L HN 0.200 nan 8.230 nan 0.000 0.490 516 R N 3.050 123.838 120.500 0.480 0.000 2.531 516 R HA 0.252 4.589 4.340 -0.004 0.000 0.316 516 R C -0.841 175.852 176.300 0.655 0.000 0.955 516 R CA -0.476 56.018 56.100 0.657 0.000 1.120 516 R CB 0.026 30.683 30.300 0.595 0.000 1.361 516 R HN 0.496 nan 8.270 nan 0.000 0.534 517 Y N 0.626 121.188 120.300 0.436 0.000 2.399 517 Y HA 0.535 5.082 4.550 -0.005 0.000 0.327 517 Y C -2.133 173.973 175.900 0.344 0.000 1.111 517 Y CA -1.482 56.825 58.100 0.345 0.000 1.047 517 Y CB 2.151 40.783 38.460 0.286 0.000 1.259 517 Y HN 0.053 nan 8.280 nan 0.000 0.434 518 L N 7.289 128.670 121.223 0.264 0.000 2.438 518 L HA 0.553 4.891 4.340 -0.004 0.000 0.270 518 L C -2.158 174.858 176.870 0.244 0.000 0.972 518 L CA -0.494 54.540 54.840 0.324 0.000 0.831 518 L CB 1.473 43.699 42.059 0.278 0.000 1.273 518 L HN 0.716 nan 8.230 nan 0.000 0.405 519 W N 7.652 129.064 121.300 0.187 0.000 2.600 519 W HA 0.769 5.426 4.660 -0.005 0.000 0.325 519 W C -2.276 174.285 176.519 0.070 0.000 1.034 519 W CA -0.792 56.617 57.345 0.106 0.000 1.226 519 W CB 1.762 31.327 29.460 0.175 0.000 1.379 519 W HN 0.361 nan 8.180 nan 0.000 0.466 520 V N 5.771 125.241 119.914 -0.740 0.000 2.686 520 V HA 0.330 4.448 4.120 -0.004 0.000 0.306 520 V C -0.591 175.008 176.094 -0.824 0.000 1.065 520 V CA -0.695 61.213 62.300 -0.653 0.000 0.894 520 V CB 1.750 33.365 31.823 -0.346 0.000 1.004 520 V HN 0.615 nan 8.190 nan 0.000 0.424 521 Q N 2.300 121.734 119.800 -0.610 0.000 2.356 521 Q HA 0.638 4.975 4.340 -0.004 0.000 0.270 521 Q C 0.003 175.969 176.000 -0.056 0.000 1.058 521 Q CA 0.069 55.716 55.803 -0.260 0.000 0.802 521 Q CB 2.101 30.694 28.738 -0.241 0.000 1.303 521 Q HN 1.388 nan 8.270 nan 0.000 0.444 522 G N 3.170 112.005 108.800 0.059 0.000 3.429 522 G HA2 -0.195 3.762 3.960 -0.004 0.000 0.605 522 G HA3 -0.195 3.762 3.960 -0.004 0.000 0.605 522 G C -1.360 173.572 174.900 0.054 0.000 0.973 522 G CA 0.136 45.215 45.100 -0.036 0.000 0.774 522 G HN 0.873 nan 8.290 nan 0.000 0.422 523 Y N -1.386 118.850 120.300 -0.108 0.000 2.573 523 Y HA 0.693 5.241 4.550 -0.003 0.000 0.328 523 Y C -0.110 175.760 175.900 -0.050 0.000 1.170 523 Y CA -1.922 56.128 58.100 -0.084 0.000 1.078 523 Y CB 0.789 39.216 38.460 -0.054 0.000 1.341 523 Y HN 0.520 nan 8.280 nan 0.000 0.459 524 R N 2.453 122.976 120.500 0.039 0.000 2.540 524 R HA 0.452 4.790 4.340 -0.004 0.000 0.317 524 R C 0.515 176.827 176.300 0.019 0.000 1.233 524 R CA 0.548 56.640 56.100 -0.013 0.000 1.003 524 R CB -0.095 30.224 30.300 0.033 0.000 1.034 524 R HN 0.797 nan 8.270 nan 0.000 0.483 525 A N 2.383 125.106 122.820 -0.162 0.000 2.311 525 A HA 0.449 4.767 4.320 -0.004 0.000 0.272 525 A C 0.040 177.628 177.584 0.006 0.000 1.438 525 A CA 0.016 52.001 52.037 -0.088 0.000 0.819 525 A CB 0.453 19.290 19.000 -0.271 0.000 1.336 525 A HN 0.679 nan 8.150 nan 0.000 0.528 526 S N -3.526 112.185 115.700 0.019 0.000 2.605 526 S HA 0.237 4.705 4.470 -0.004 0.000 0.324 526 S C -0.017 174.595 174.600 0.021 0.000 0.978 526 S CA 0.201 58.411 58.200 0.017 0.000 0.864 526 S CB 0.039 63.258 63.200 0.032 0.000 1.095 526 S HN 1.012 nan 8.310 nan 0.000 0.460 527 M N 3.171 122.774 119.600 0.006 0.000 2.192 527 M HA -0.101 4.377 4.480 -0.004 0.000 0.259 527 M C 1.931 178.240 176.300 0.017 0.000 1.071 527 M CA 2.789 58.094 55.300 0.008 0.000 1.082 527 M CB -1.432 31.168 32.600 0.000 0.000 1.373 527 M HN 0.931 nan 8.290 nan 0.000 0.408 528 T N -0.274 114.290 114.554 0.018 0.000 2.635 528 T HA -0.207 4.140 4.350 -0.004 0.000 0.265 528 T C 1.763 176.479 174.700 0.026 0.000 1.058 528 T CA 2.310 64.422 62.100 0.020 0.000 1.162 528 T CB -1.390 67.491 68.868 0.022 0.000 0.859 528 T HN 0.784 nan 8.240 nan 0.000 0.449 529 G N 0.258 109.081 108.800 0.038 0.000 2.396 529 G HA2 -0.326 3.631 3.960 -0.004 0.000 0.242 529 G HA3 -0.326 3.631 3.960 -0.004 0.000 0.242 529 G C 0.845 175.771 174.900 0.043 0.000 1.069 529 G CA 0.528 45.656 45.100 0.047 0.000 0.633 529 G HN 0.496 nan 8.290 nan 0.000 0.517 530 Q N 0.774 120.594 119.800 0.033 0.000 2.515 530 Q HA 0.089 4.427 4.340 -0.004 0.000 0.214 530 Q C 1.407 177.424 176.000 0.028 0.000 0.971 530 Q CA 1.498 57.317 55.803 0.027 0.000 0.952 530 Q CB -0.033 28.717 28.738 0.020 0.000 0.999 530 Q HN 0.762 nan 8.270 nan 0.000 0.524 531 D N -0.625 119.797 120.400 0.036 0.000 2.277 531 D HA 0.015 4.652 4.640 -0.004 0.000 0.209 531 D C 1.669 177.988 176.300 0.031 0.000 0.970 531 D CA 0.108 54.128 54.000 0.034 0.000 0.874 531 D CB 0.184 41.010 40.800 0.043 0.000 0.982 531 D HN 0.109 nan 8.370 nan 0.000 0.504 532 L N 0.395 121.638 121.223 0.034 0.000 2.127 532 L HA -0.127 4.210 4.340 -0.004 0.000 0.211 532 L C 1.858 178.751 176.870 0.037 0.000 1.089 532 L CA 0.629 55.485 54.840 0.026 0.000 0.757 532 L CB -0.250 41.818 42.059 0.015 0.000 0.899 532 L HN 0.167 nan 8.230 nan 0.000 0.434 533 M N -0.211 119.409 119.600 0.033 0.000 2.530 533 M HA -0.207 4.271 4.480 -0.004 0.000 0.261 533 M C 1.977 178.295 176.300 0.030 0.000 1.067 533 M CA 1.310 56.631 55.300 0.035 0.000 1.071 533 M CB -0.858 31.757 32.600 0.026 0.000 1.405 533 M HN 0.474 nan 8.290 nan 0.000 0.478 534 Q N 0.203 120.015 119.800 0.021 0.000 2.373 534 Q HA -0.010 4.328 4.340 -0.004 0.000 0.206 534 Q C 1.146 177.144 176.000 -0.004 0.000 0.942 534 Q CA 0.318 56.125 55.803 0.008 0.000 0.953 534 Q CB -0.307 28.433 28.738 0.003 0.000 1.022 534 Q HN 0.702 nan 8.270 nan 0.000 0.502 535 M N -2.542 117.064 119.600 0.010 0.000 2.347 535 M HA 0.539 5.016 4.480 -0.004 0.000 0.324 535 M C 0.039 176.345 176.300 0.011 0.000 1.028 535 M CA -0.492 54.791 55.300 -0.027 0.000 0.988 535 M CB 0.888 33.474 32.600 -0.024 0.000 1.528 535 M HN 0.034 nan 8.290 nan 0.000 0.550 536 A N 2.481 125.342 122.820 0.068 0.000 2.526 536 A HA 0.413 4.730 4.320 -0.004 0.000 0.267 536 A C -0.188 177.437 177.584 0.068 0.000 1.095 536 A CA 0.055 52.157 52.037 0.108 0.000 0.775 536 A CB -0.173 18.869 19.000 0.069 0.000 1.036 536 A HN 0.730 nan 8.150 nan 0.000 0.510 537 R N 2.617 123.184 120.500 0.112 0.000 2.873 537 R HA 0.605 4.943 4.340 -0.004 0.000 0.264 537 R C -2.864 173.546 176.300 0.184 0.000 1.026 537 R CA -2.017 54.150 56.100 0.111 0.000 1.002 537 R CB 0.347 30.702 30.300 0.091 0.000 1.174 537 R HN 0.375 nan 8.270 nan 0.000 0.488 538 P HA 0.046 nan 4.420 nan 0.000 0.268 538 P C -0.914 176.561 177.300 0.293 0.000 1.205 538 P CA 0.110 63.249 63.100 0.065 0.000 0.771 538 P CB 0.135 31.834 31.700 -0.000 0.000 0.858 539 Y N -2.501 117.944 120.300 0.243 0.000 4.929 539 Y HA -0.201 4.344 4.550 -0.008 0.000 0.253 539 Y C 0.107 176.263 175.900 0.428 0.000 0.946 539 Y CA 0.501 58.792 58.100 0.318 0.000 1.905 539 Y CB -1.748 36.914 38.460 0.336 0.000 1.400 539 Y HN 0.511 nan 8.280 nan 0.000 0.531 540 W N 3.440 124.846 121.300 0.176 0.000 2.278 540 W HA 0.449 5.107 4.660 -0.003 0.000 0.317 540 W C -0.722 175.691 176.519 -0.177 0.000 1.030 540 W CA -0.751 56.539 57.345 -0.091 0.000 1.334 540 W CB 0.701 30.057 29.460 -0.174 0.000 1.215 540 W HN -0.111 nan 8.180 nan 0.000 0.405 541 N N 5.778 124.065 118.700 -0.688 0.000 2.419 541 N HA 0.229 4.967 4.740 -0.004 0.000 0.264 541 N C -0.519 174.464 175.510 -0.878 0.000 1.031 541 N CA -0.233 52.383 53.050 -0.724 0.000 0.951 541 N CB 1.469 39.395 38.487 -0.935 0.000 1.101 541 N HN 0.448 nan 8.380 nan 0.000 0.488 542 I N -1.043 119.232 120.570 -0.492 0.000 2.404 542 I HA 0.506 4.673 4.170 -0.004 0.000 0.293 542 I C -0.513 175.497 176.117 -0.177 0.000 0.992 542 I CA -0.324 60.760 61.300 -0.360 0.000 1.149 542 I CB 1.384 39.265 38.000 -0.198 0.000 1.315 542 I HN 0.313 nan 8.210 nan 0.000 0.446 543 E N 6.720 126.869 120.200 -0.084 0.000 2.222 543 E HA 0.595 4.943 4.350 -0.004 0.000 0.267 543 E C -1.423 175.225 176.600 0.081 0.000 0.884 543 E CA -0.811 55.611 56.400 0.038 0.000 0.764 543 E CB 2.411 32.208 29.700 0.161 0.000 1.169 543 E HN 0.610 nan 8.360 nan 0.000 0.413 544 L N 3.865 125.140 121.223 0.087 0.000 2.313 544 L HA 0.514 4.852 4.340 -0.004 0.000 0.283 544 L C -0.432 176.520 176.870 0.136 0.000 1.013 544 L CA -0.723 54.180 54.840 0.105 0.000 0.816 544 L CB 1.126 43.232 42.059 0.078 0.000 1.236 544 L HN 0.434 nan 8.230 nan 0.000 0.419 545 I N 5.550 126.214 120.570 0.157 0.000 2.307 545 I HA 0.255 4.422 4.170 -0.004 0.000 0.287 545 I C -1.841 174.263 176.117 -0.021 0.000 1.054 545 I CA -1.803 59.563 61.300 0.111 0.000 1.218 545 I CB 1.000 39.115 38.000 0.191 0.000 1.398 545 I HN 0.348 nan 8.210 nan 0.000 0.475 546 P HA -0.024 nan 4.420 nan 0.000 0.270 546 P C 0.353 177.621 177.300 -0.053 0.000 1.227 546 P CA -0.214 62.880 63.100 -0.011 0.000 0.788 546 P CB 0.471 32.177 31.700 0.010 0.000 0.926 547 S N -0.216 115.454 115.700 -0.049 0.000 3.120 547 S HA 0.051 4.519 4.470 -0.004 0.000 0.259 547 S C 0.746 175.326 174.600 -0.034 0.000 1.191 547 S CA -0.271 57.896 58.200 -0.056 0.000 1.257 547 S CB -0.862 62.300 63.200 -0.063 0.000 0.964 547 S HN 0.283 nan 8.310 nan 0.000 0.473 565 P HA 0.149 nan 4.420 nan 0.000 0.269 565 P C -0.164 177.121 177.300 -0.025 0.000 1.215 565 P CA -0.206 62.904 63.100 0.018 0.000 0.780 565 P CB 0.318 32.028 31.700 0.016 0.000 0.898 566 A N 2.542 125.312 122.820 -0.084 0.000 2.587 566 A HA 0.000 4.318 4.320 -0.004 0.000 0.233 566 A C -0.075 177.586 177.584 0.130 0.000 1.049 566 A CA 0.541 52.556 52.037 -0.036 0.000 0.754 566 A CB -0.823 18.185 19.000 0.014 0.000 0.977 566 A HN 0.642 nan 8.150 nan 0.000 0.509 567 H N 0.175 119.283 119.070 0.063 0.000 2.499 567 H HA 0.597 5.150 4.556 -0.004 0.000 0.340 567 H C -0.671 174.608 175.328 -0.083 0.000 1.148 567 H CA -0.837 55.123 56.048 -0.146 0.000 1.215 567 H CB 1.568 31.226 29.762 -0.173 0.000 1.529 567 H HN 0.556 nan 8.280 nan 0.000 0.510 568 I N 3.066 123.564 120.570 -0.120 0.000 2.378 568 I HA 0.145 4.313 4.170 -0.004 0.000 0.291 568 I C -1.132 174.962 176.117 -0.038 0.000 0.992 568 I CA -0.689 60.545 61.300 -0.111 0.000 1.154 568 I CB 1.627 39.457 38.000 -0.284 0.000 1.315 568 I HN 0.201 nan 8.210 nan 0.000 0.448 569 L N 7.135 128.399 121.223 0.068 0.000 2.356 569 L HA 0.885 5.222 4.340 -0.004 0.000 0.277 569 L C -0.726 176.106 176.870 -0.062 0.000 0.996 569 L CA -0.116 54.782 54.840 0.096 0.000 0.822 569 L CB 1.502 43.716 42.059 0.259 0.000 1.256 569 L HN 0.689 nan 8.230 nan 0.000 0.413 570 A N 4.478 127.165 122.820 -0.221 0.000 2.486 570 A HA 0.849 5.166 4.320 -0.004 0.000 0.300 570 A C -1.885 175.207 177.584 -0.819 0.000 1.048 570 A CA -0.394 51.245 52.037 -0.663 0.000 0.696 570 A CB 1.202 19.747 19.000 -0.759 0.000 1.278 570 A HN 0.854 nan 8.150 nan 0.000 0.405 571 Y N -1.424 118.185 120.300 -1.152 0.000 2.624 571 Y HA 0.689 5.236 4.550 -0.004 0.000 0.334 571 Y C -1.207 174.446 175.900 -0.413 0.000 1.155 571 Y CA -1.493 56.224 58.100 -0.638 0.000 1.046 571 Y CB 0.683 39.009 38.460 -0.223 0.000 1.316 571 Y HN 0.587 nan 8.280 nan 0.000 0.457 572 Y N 1.465 121.956 120.300 0.319 0.000 2.336 572 Y HA 0.480 5.028 4.550 -0.003 0.000 0.331 572 Y C 0.605 176.721 175.900 0.360 0.000 1.211 572 Y CA 0.478 58.813 58.100 0.391 0.000 1.346 572 Y CB 1.569 40.287 38.460 0.431 0.000 1.271 572 Y HN 0.720 nan 8.280 nan 0.000 0.538 573 S N 3.248 119.264 115.700 0.526 0.000 2.566 573 S HA 0.282 4.749 4.470 -0.004 0.000 0.273 573 S C -0.223 174.623 174.600 0.409 0.000 1.157 573 S CA -0.771 57.691 58.200 0.437 0.000 0.938 573 S CB 0.600 64.057 63.200 0.429 0.000 1.087 573 S HN 0.761 nan 8.310 nan 0.000 0.474 574 L N 3.359 124.761 121.223 0.299 0.000 2.622 574 L HA 0.171 4.508 4.340 -0.004 0.000 0.233 574 L C 2.150 179.193 176.870 0.288 0.000 1.156 574 L CA 1.054 56.051 54.840 0.261 0.000 0.866 574 L CB -0.370 41.769 42.059 0.132 0.000 0.980 574 L HN 0.802 nan 8.230 nan 0.000 0.448 575 A N -0.709 122.275 122.820 0.273 0.000 2.229 575 A HA 0.524 4.841 4.320 -0.004 0.000 0.211 575 A C 1.190 178.874 177.584 0.166 0.000 1.193 575 A CA 0.544 52.706 52.037 0.209 0.000 0.879 575 A CB 0.178 19.311 19.000 0.222 0.000 0.911 575 A HN 0.388 nan 8.150 nan 0.000 0.492 576 G N -0.728 108.175 108.800 0.171 0.000 2.685 576 G HA2 -0.119 3.838 3.960 -0.004 0.000 0.387 576 G HA3 -0.119 3.838 3.960 -0.004 0.000 0.387 576 G C -0.578 174.362 174.900 0.067 0.000 1.324 576 G CA -0.408 44.746 45.100 0.090 0.000 0.878 576 G HN 0.530 nan 8.290 nan 0.000 0.527 577 Q N 0.360 120.165 119.800 0.008 0.000 2.337 577 Q HA 0.367 4.704 4.340 -0.004 0.000 0.270 577 Q C 0.986 176.969 176.000 -0.028 0.000 1.002 577 Q CA 0.123 55.909 55.803 -0.029 0.000 0.888 577 Q CB 0.412 29.117 28.738 -0.054 0.000 1.222 577 Q HN 0.538 nan 8.270 nan 0.000 0.400 578 R N 1.376 121.825 120.500 -0.084 0.000 2.640 578 R HA -0.022 4.316 4.340 -0.004 0.000 0.270 578 R C 0.932 177.163 176.300 -0.115 0.000 1.024 578 R CA 0.129 56.139 56.100 -0.151 0.000 1.085 578 R CB 0.057 30.058 30.300 -0.499 0.000 0.963 578 R HN 0.558 nan 8.270 nan 0.000 0.426 579 T N 0.921 115.437 114.554 -0.063 0.000 3.055 579 T HA -0.079 4.269 4.350 -0.004 0.000 0.265 579 T C 0.434 175.093 174.700 -0.068 0.000 1.111 579 T CA 1.336 63.405 62.100 -0.052 0.000 1.118 579 T CB -0.150 68.703 68.868 -0.025 0.000 0.909 579 T HN 0.728 nan 8.240 nan 0.000 0.501 580 D N -0.210 120.137 120.400 -0.088 0.000 2.643 580 D HA 0.151 4.789 4.640 -0.004 0.000 0.244 580 D C -0.214 176.036 176.300 -0.084 0.000 1.257 580 D CA -0.505 53.461 54.000 -0.057 0.000 0.831 580 D CB -1.331 39.492 40.800 0.039 0.000 1.043 580 D HN 0.145 nan 8.370 nan 0.000 0.488 581 C N 1.768 120.985 119.300 -0.139 0.000 2.644 581 C HA 0.342 4.800 4.460 -0.004 0.000 0.417 581 C C -1.508 173.447 174.990 -0.058 0.000 1.304 581 C CA -0.791 58.137 59.018 -0.150 0.000 2.035 581 C CB 0.031 27.690 27.740 -0.135 0.000 2.673 581 C HN 0.377 nan 8.230 nan 0.000 0.602 582 P HA 0.149 nan 4.420 nan 0.000 0.272 582 P C 0.840 178.153 177.300 0.022 0.000 1.254 582 P CA 0.011 63.127 63.100 0.027 0.000 0.795 582 P CB 0.285 32.026 31.700 0.067 0.000 1.022 583 T N -0.688 113.887 114.554 0.034 0.000 2.867 583 T HA -0.094 4.254 4.350 -0.004 0.000 0.268 583 T C 1.371 176.097 174.700 0.044 0.000 1.057 583 T CA 1.958 64.077 62.100 0.031 0.000 1.136 583 T CB -0.976 67.910 68.868 0.029 0.000 0.874 583 T HN 0.637 nan 8.240 nan 0.000 0.466 584 T N -0.008 114.585 114.554 0.065 0.000 3.155 584 T HA 0.130 4.478 4.350 -0.004 0.000 0.264 584 T C 0.455 175.215 174.700 0.101 0.000 1.160 584 T CA 0.062 62.212 62.100 0.083 0.000 1.075 584 T CB -0.263 68.673 68.868 0.113 0.000 0.921 584 T HN 0.090 nan 8.240 nan 0.000 0.533 585 V N 1.198 121.163 119.914 0.086 0.000 2.483 585 V HA 0.480 4.597 4.120 -0.004 0.000 0.297 585 V C -0.203 175.921 176.094 0.051 0.000 1.027 585 V CA -1.180 61.180 62.300 0.100 0.000 0.855 585 V CB 1.987 33.876 31.823 0.110 0.000 0.995 585 V HN 0.234 nan 8.190 nan 0.000 0.424 586 R N 3.202 123.734 120.500 0.054 0.000 2.338 586 R HA 0.678 5.015 4.340 -0.004 0.000 0.317 586 R C -1.151 175.159 176.300 0.017 0.000 0.968 586 R CA -0.489 55.628 56.100 0.027 0.000 0.849 586 R CB 1.839 32.156 30.300 0.029 0.000 1.128 586 R HN 0.570 nan 8.270 nan 0.000 0.448 587 V N 6.137 126.047 119.914 -0.007 0.000 2.461 587 V HA 0.181 4.298 4.120 -0.004 0.000 0.275 587 V C 0.533 176.614 176.094 -0.023 0.000 1.047 587 V CA -0.472 61.812 62.300 -0.026 0.000 0.955 587 V CB 1.196 32.991 31.823 -0.047 0.000 0.988 587 V HN 0.661 nan 8.190 nan 0.000 0.471 588 L N 6.521 127.727 121.223 -0.029 0.000 2.278 588 L HA 0.418 4.756 4.340 -0.004 0.000 0.287 588 L C 0.234 177.090 176.870 -0.024 0.000 1.072 588 L CA 0.075 54.904 54.840 -0.018 0.000 0.819 588 L CB 0.532 42.583 42.059 -0.012 0.000 1.176 588 L HN 0.708 nan 8.230 nan 0.000 0.435 589 K N 3.007 123.398 120.400 -0.014 0.000 2.395 589 K HA 0.401 4.718 4.320 -0.004 0.000 0.245 589 K C -0.601 175.997 176.600 -0.003 0.000 1.017 589 K CA -1.091 55.188 56.287 -0.012 0.000 0.852 589 K CB 1.636 34.126 32.500 -0.017 0.000 1.311 589 K HN 0.404 nan 8.250 nan 0.000 0.452 590 E N 1.684 121.883 120.200 -0.002 0.000 2.461 590 E HA 0.006 4.353 4.350 -0.004 0.000 0.263 590 E C -2.230 174.371 176.600 0.001 0.000 1.143 590 E CA -0.985 55.417 56.400 0.002 0.000 0.994 590 E CB -0.323 29.378 29.700 0.001 0.000 0.973 590 E HN 0.303 nan 8.360 nan 0.000 0.457 591 P HA -0.191 nan 4.420 nan 0.000 0.259 591 P C -0.296 177.004 177.300 0.002 0.000 1.111 591 P CA 0.646 63.748 63.100 0.003 0.000 0.758 591 P CB -0.051 31.650 31.700 0.003 0.000 0.693 592 I N 0.000 120.572 120.570 0.003 0.000 2.984 592 I HA 0.000 4.167 4.170 -0.004 0.000 0.288 592 I CA 0.000 61.301 61.300 0.001 0.000 1.566 592 I CB 0.000 38.002 38.000 0.003 0.000 1.214 592 I HN 0.000 nan 8.210 nan 0.000 0.494