REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ogl_1_H 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 XXXPAHILAY YSLAGQRTDC PTTVRVLK 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 58.204 58.200 0.007 0.000 1.107 12 S CB 0.000 63.204 63.200 0.006 0.000 0.593 13 C N 1.273 120.578 119.300 0.009 0.000 2.707 13 C HA 0.910 5.370 4.460 -0.000 0.000 0.313 13 C C 0.827 175.823 174.990 0.011 0.000 1.209 13 C CA -0.073 58.951 59.018 0.010 0.000 1.635 13 C CB 1.359 29.107 27.740 0.012 0.000 2.206 13 C HN 0.887 nan 8.230 nan 0.000 0.485 14 V N 0.931 120.852 119.914 0.012 0.000 3.613 14 V HA 0.890 5.010 4.120 -0.000 0.000 0.283 14 V C 0.450 176.554 176.094 0.016 0.000 1.052 14 V CA -0.617 61.690 62.300 0.013 0.000 0.937 14 V CB 0.215 32.046 31.823 0.012 0.000 1.241 14 V HN 1.072 nan 8.190 nan 0.000 0.429 15 A N 0.212 123.042 122.820 0.016 0.000 2.320 15 A HA 0.898 5.218 4.320 -0.000 0.000 0.334 15 A C 0.010 177.611 177.584 0.027 0.000 1.147 15 A CA 0.146 52.195 52.037 0.020 0.000 0.820 15 A CB 1.238 20.247 19.000 0.015 0.000 1.218 15 A HN 1.485 nan 8.150 nan 0.000 0.482 16 T N -2.376 112.201 114.554 0.037 0.000 2.868 16 T HA 0.455 4.805 4.350 -0.000 0.000 0.306 16 T C 0.931 175.674 174.700 0.073 0.000 1.224 16 T CA -0.036 62.096 62.100 0.054 0.000 1.012 16 T CB 0.499 69.402 68.868 0.058 0.000 1.221 16 T HN 1.546 nan 8.240 nan 0.000 0.499 17 V N -0.577 119.402 119.914 0.108 0.000 2.363 17 V HA -0.217 3.903 4.120 -0.000 0.000 0.254 17 V C 2.153 178.324 176.094 0.129 0.000 1.074 17 V CA 2.564 64.950 62.300 0.143 0.000 1.069 17 V CB -1.517 30.482 31.823 0.293 0.000 0.659 17 V HN 1.059 nan 8.190 nan 0.000 0.455 18 D N 1.288 121.781 120.400 0.155 0.000 2.221 18 D HA -0.215 4.425 4.640 -0.000 0.000 0.204 18 D C 1.457 177.795 176.300 0.064 0.000 0.982 18 D CA 1.603 55.685 54.000 0.138 0.000 0.857 18 D CB -0.400 40.485 40.800 0.142 0.000 0.934 18 D HN 0.695 nan 8.370 nan 0.000 0.475 19 D N -0.381 120.046 120.400 0.046 0.000 2.352 19 D HA 0.007 4.647 4.640 -0.000 0.000 0.236 19 D C 0.800 177.103 176.300 0.005 0.000 1.148 19 D CA 0.051 54.065 54.000 0.023 0.000 0.844 19 D CB 1.534 42.346 40.800 0.021 0.000 0.933 19 D HN 0.186 nan 8.370 nan 0.000 0.507 20 V N 0.055 119.964 119.914 -0.008 0.000 3.410 20 V HA -0.069 4.051 4.120 -0.000 0.000 0.257 20 V C 1.179 177.231 176.094 -0.070 0.000 1.757 20 V CA -0.124 62.159 62.300 -0.028 0.000 1.047 20 V CB 0.592 32.405 31.823 -0.018 0.000 0.915 20 V HN -0.005 nan 8.190 nan 0.000 0.371 21 I N 1.138 121.646 120.570 -0.104 0.000 2.353 21 I HA -0.059 4.111 4.170 -0.000 0.000 0.248 21 I C 1.926 177.903 176.117 -0.234 0.000 1.119 21 I CA 2.094 63.240 61.300 -0.255 0.000 1.417 21 I CB -0.153 37.586 38.000 -0.435 0.000 1.078 21 I HN 0.376 nan 8.210 nan 0.000 0.421 22 E N -0.381 119.734 120.200 -0.142 0.000 2.331 22 E HA -0.287 4.063 4.350 -0.000 0.000 0.199 22 E C 1.927 178.488 176.600 -0.064 0.000 1.008 22 E CA 1.020 57.359 56.400 -0.101 0.000 0.843 22 E CB 0.022 29.689 29.700 -0.055 0.000 0.761 22 E HN 0.637 nan 8.360 nan 0.000 0.507 23 Q N -0.761 119.010 119.800 -0.048 0.000 2.387 23 Q HA -0.019 4.321 4.340 -0.000 0.000 0.212 23 Q C 2.029 178.077 176.000 0.080 0.000 0.925 23 Q CA 0.194 56.010 55.803 0.022 0.000 0.901 23 Q CB 0.615 29.367 28.738 0.023 0.000 1.020 23 Q HN 0.093 nan 8.270 nan 0.000 0.545 24 V N 1.098 120.999 119.914 -0.022 0.000 2.407 24 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 24 V C 2.310 178.439 176.094 0.058 0.000 1.055 24 V CA 1.730 64.020 62.300 -0.016 0.000 1.049 24 V CB -0.502 31.246 31.823 -0.124 0.000 0.662 24 V HN 0.446 nan 8.190 nan 0.000 0.455 25 M N 1.615 121.173 119.600 -0.070 0.000 2.106 25 M HA -0.186 4.294 4.480 -0.000 0.000 0.259 25 M C 2.222 178.523 176.300 0.001 0.000 1.068 25 M CA 2.507 57.754 55.300 -0.089 0.000 1.100 25 M CB -0.876 31.629 32.600 -0.159 0.000 1.351 25 M HN 0.550 nan 8.290 nan 0.000 0.404 26 T N -2.363 112.204 114.554 0.022 0.000 3.155 26 T HA -0.122 4.228 4.350 -0.000 0.000 0.264 26 T C 0.836 175.451 174.700 -0.143 0.000 1.160 26 T CA 0.874 62.943 62.100 -0.052 0.000 1.075 26 T CB -0.727 68.094 68.868 -0.078 0.000 0.921 26 T HN 0.521 nan 8.240 nan 0.000 0.533 27 Y N 0.422 120.694 120.300 -0.046 0.000 2.507 27 Y HA 0.521 5.071 4.550 -0.000 0.000 0.254 27 Y C 0.333 176.219 175.900 -0.023 0.000 1.171 27 Y CA -1.145 56.936 58.100 -0.032 0.000 1.238 27 Y CB 0.380 38.821 38.460 -0.031 0.000 1.148 27 Y HN 0.277 nan 8.280 nan 0.000 0.525 28 I N -0.279 120.340 120.570 0.082 0.000 2.390 28 I HA 0.160 4.330 4.170 -0.000 0.000 0.283 28 I C 1.047 177.178 176.117 0.024 0.000 1.016 28 I CA -0.088 61.248 61.300 0.060 0.000 1.151 28 I CB 1.702 39.738 38.000 0.060 0.000 1.293 28 I HN -0.111 nan 8.210 nan 0.000 0.458 29 T N 2.355 116.919 114.554 0.016 0.000 3.010 29 T HA 0.003 4.353 4.350 -0.000 0.000 0.252 29 T C 0.812 175.513 174.700 0.001 0.000 1.047 29 T CA 0.367 62.464 62.100 -0.006 0.000 1.140 29 T CB 0.044 68.901 68.868 -0.019 0.000 0.885 29 T HN 0.543 nan 8.240 nan 0.000 0.464 30 D N 1.835 122.244 120.400 0.016 0.000 2.434 30 D HA 0.064 4.704 4.640 -0.000 0.000 0.252 30 D C -1.574 174.743 176.300 0.030 0.000 1.185 30 D CA -1.504 52.508 54.000 0.020 0.000 0.886 30 D CB 1.779 42.597 40.800 0.030 0.000 1.148 30 D HN 0.159 nan 8.370 nan 0.000 0.483 31 P HA -0.165 nan 4.420 nan 0.000 0.216 31 P C 1.270 178.605 177.300 0.059 0.000 1.153 31 P CA 0.990 64.113 63.100 0.037 0.000 0.858 31 P CB 0.334 32.052 31.700 0.031 0.000 0.789 32 K N -0.239 120.193 120.400 0.054 0.000 2.103 32 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 32 K C 1.603 178.248 176.600 0.075 0.000 1.048 32 K CA 1.375 57.700 56.287 0.063 0.000 0.930 32 K CB -1.107 31.425 32.500 0.054 0.000 0.716 32 K HN 0.207 nan 8.250 nan 0.000 0.444 33 D N -0.259 120.186 120.400 0.075 0.000 2.234 33 D HA -0.068 4.572 4.640 -0.000 0.000 0.205 33 D C 1.965 178.335 176.300 0.117 0.000 0.962 33 D CA 0.376 54.432 54.000 0.093 0.000 0.855 33 D CB 0.246 41.096 40.800 0.084 0.000 0.951 33 D HN 0.004 nan 8.370 nan 0.000 0.500 34 R N 1.236 121.800 120.500 0.107 0.000 2.070 34 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 34 R C 1.811 178.213 176.300 0.170 0.000 1.138 34 R CA 0.692 56.873 56.100 0.134 0.000 0.936 34 R CB -1.105 29.261 30.300 0.110 0.000 0.839 34 R HN 0.297 nan 8.270 nan 0.000 0.429 35 D N 0.726 121.217 120.400 0.151 0.000 2.421 35 D HA -0.208 4.432 4.640 -0.000 0.000 0.195 35 D C 1.712 178.099 176.300 0.144 0.000 1.022 35 D CA 2.980 57.070 54.000 0.150 0.000 0.871 35 D CB -0.036 40.832 40.800 0.114 0.000 1.026 35 D HN 0.293 nan 8.370 nan 0.000 0.462 36 S N 0.591 116.363 115.700 0.120 0.000 2.402 36 S HA -0.146 4.324 4.470 -0.000 0.000 0.233 36 S C 2.073 176.766 174.600 0.155 0.000 1.030 36 S CA 1.600 59.866 58.200 0.110 0.000 1.003 36 S CB -0.286 62.966 63.200 0.087 0.000 0.813 36 S HN 0.407 nan 8.310 nan 0.000 0.477 37 A N 2.071 125.026 122.820 0.224 0.000 1.975 37 A HA 0.116 4.436 4.320 -0.000 0.000 0.215 37 A C 2.350 180.187 177.584 0.422 0.000 1.170 37 A CA 1.270 53.535 52.037 0.380 0.000 0.656 37 A CB -1.017 18.217 19.000 0.390 0.000 0.821 37 A HN 0.777 nan 8.150 nan 0.000 0.449 38 S N -0.713 115.178 115.700 0.319 0.000 2.584 38 S HA 0.050 4.520 4.470 -0.000 0.000 0.240 38 S C 1.242 176.015 174.600 0.287 0.000 0.975 38 S CA 1.130 59.542 58.200 0.355 0.000 0.949 38 S CB -0.315 63.100 63.200 0.357 0.000 0.761 38 S HN 0.435 nan 8.310 nan 0.000 0.536 39 L N 0.834 122.164 121.223 0.179 0.000 2.920 39 L HA 0.267 4.607 4.340 -0.000 0.000 0.257 39 L C 2.179 179.040 176.870 -0.015 0.000 1.150 39 L CA 0.539 55.419 54.840 0.065 0.000 0.959 39 L CB 0.532 42.613 42.059 0.037 0.000 1.321 39 L HN 0.390 nan 8.230 nan 0.000 0.555 40 V N -0.534 119.341 119.914 -0.064 0.000 2.407 40 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 40 V C 0.920 176.851 176.094 -0.272 0.000 1.055 40 V CA 1.433 63.560 62.300 -0.288 0.000 1.049 40 V CB -0.278 31.107 31.823 -0.729 0.000 0.662 40 V HN 0.630 nan 8.190 nan 0.000 0.455 41 C N -1.970 117.235 119.300 -0.159 0.000 3.253 41 C HA 0.439 4.899 4.460 -0.000 0.000 0.361 41 C C 1.362 176.412 174.990 0.101 0.000 1.498 41 C CA -0.195 58.781 59.018 -0.070 0.000 1.163 41 C CB 0.812 28.465 27.740 -0.145 0.000 1.687 41 C HN 0.393 nan 8.230 nan 0.000 0.430 42 R N 0.376 120.943 120.500 0.112 0.000 2.062 42 R HA 0.044 4.384 4.340 -0.000 0.000 0.229 42 R C 2.462 178.925 176.300 0.271 0.000 1.128 42 R CA 1.390 57.607 56.100 0.195 0.000 0.960 42 R CB -0.342 30.036 30.300 0.130 0.000 0.855 42 R HN 0.653 nan 8.270 nan 0.000 0.432 43 R N -0.066 120.584 120.500 0.249 0.000 2.103 43 R HA -0.192 4.147 4.340 -0.000 0.000 0.242 43 R C 2.001 178.515 176.300 0.358 0.000 1.142 43 R CA 1.707 57.973 56.100 0.277 0.000 0.960 43 R CB -0.251 30.226 30.300 0.295 0.000 0.858 43 R HN 0.300 nan 8.270 nan 0.000 0.439 44 W N -0.034 121.322 121.300 0.093 0.000 2.388 44 W HA -0.126 4.534 4.660 0.000 0.000 0.294 44 W C 2.004 178.602 176.519 0.131 0.000 1.212 44 W CA 0.148 57.551 57.345 0.095 0.000 1.271 44 W CB -1.032 28.483 29.460 0.093 0.000 1.126 44 W HN 0.016 nan 8.180 nan 0.000 0.535 45 F N 2.253 122.354 119.950 0.253 0.000 2.025 45 F HA -0.303 4.224 4.527 0.000 0.000 0.297 45 F C 2.473 178.328 175.800 0.091 0.000 1.132 45 F CA 2.369 60.451 58.000 0.136 0.000 1.191 45 F CB -1.056 37.993 39.000 0.081 0.000 0.963 45 F HN -0.241 nan 8.300 nan 0.000 0.481 46 K N 0.968 121.276 120.400 -0.154 0.000 2.015 46 K HA -0.218 4.102 4.320 -0.000 0.000 0.216 46 K C 2.150 178.650 176.600 -0.167 0.000 1.052 46 K CA 2.413 58.545 56.287 -0.258 0.000 0.937 46 K CB -1.140 31.325 32.500 -0.059 0.000 0.719 46 K HN 0.530 nan 8.250 nan 0.000 0.446 47 I N 0.667 121.203 120.570 -0.057 0.000 2.151 47 I HA -0.350 3.820 4.170 -0.000 0.000 0.243 47 I C 2.179 178.257 176.117 -0.064 0.000 1.080 47 I CA 1.969 63.227 61.300 -0.070 0.000 1.339 47 I CB -0.490 37.440 38.000 -0.117 0.000 1.039 47 I HN 0.427 nan 8.210 nan 0.000 0.409 48 D N 0.445 120.828 120.400 -0.027 0.000 2.106 48 D HA -0.275 4.365 4.640 -0.000 0.000 0.191 48 D C 2.271 178.606 176.300 0.058 0.000 0.997 48 D CA 2.242 56.266 54.000 0.039 0.000 0.834 48 D CB -0.150 40.731 40.800 0.134 0.000 0.956 48 D HN 0.322 nan 8.370 nan 0.000 0.448 49 S N -0.392 115.261 115.700 -0.078 0.000 2.370 49 S HA -0.252 4.218 4.470 -0.000 0.000 0.226 49 S C 1.843 176.474 174.600 0.052 0.000 1.033 49 S CA 1.581 59.736 58.200 -0.075 0.000 1.011 49 S CB -0.639 62.277 63.200 -0.473 0.000 0.852 49 S HN 0.479 nan 8.310 nan 0.000 0.457 50 E N 0.420 120.604 120.200 -0.028 0.000 2.358 50 E HA -0.013 4.337 4.350 -0.000 0.000 0.195 50 E C 1.829 178.435 176.600 0.010 0.000 1.010 50 E CA 1.211 57.606 56.400 -0.008 0.000 0.856 50 E CB -0.090 29.588 29.700 -0.037 0.000 0.795 50 E HN 0.925 nan 8.360 nan 0.000 0.504 51 T N -1.638 112.924 114.554 0.014 0.000 3.023 51 T HA 0.142 4.492 4.350 -0.000 0.000 0.253 51 T C 0.820 175.520 174.700 0.000 0.000 1.038 51 T CA -0.469 61.629 62.100 -0.004 0.000 0.962 51 T CB 0.205 69.058 68.868 -0.025 0.000 1.018 51 T HN -0.172 nan 8.240 nan 0.000 0.521 52 R N 1.416 121.941 120.500 0.042 0.000 2.389 52 R HA 0.322 4.662 4.340 -0.000 0.000 0.295 52 R C 0.950 177.190 176.300 -0.101 0.000 1.075 52 R CA 0.176 56.254 56.100 -0.037 0.000 1.005 52 R CB 0.430 30.691 30.300 -0.065 0.000 0.987 52 R HN 0.298 nan 8.270 nan 0.000 0.452 53 E N 1.266 121.394 120.200 -0.121 0.000 2.280 53 E HA 0.002 4.352 4.350 -0.000 0.000 0.197 53 E C -0.273 176.273 176.600 -0.091 0.000 0.913 53 E CA -0.039 56.312 56.400 -0.082 0.000 0.995 53 E CB 0.125 29.796 29.700 -0.049 0.000 0.991 53 E HN 0.518 nan 8.360 nan 0.000 0.484 54 H N 0.980 119.948 119.070 -0.171 0.000 2.458 54 H HA 0.430 4.986 4.556 -0.000 0.000 0.330 54 H C -1.321 173.859 175.328 -0.247 0.000 1.111 54 H CA -0.237 55.706 56.048 -0.175 0.000 1.245 54 H CB 1.185 30.868 29.762 -0.131 0.000 1.456 54 H HN -0.120 nan 8.280 nan 0.000 0.488 55 V N 4.579 123.958 119.914 -0.892 0.000 2.709 55 V HA 0.254 4.374 4.120 -0.000 0.000 0.308 55 V C -0.451 175.298 176.094 -0.575 0.000 1.062 55 V CA -0.603 61.343 62.300 -0.591 0.000 0.901 55 V CB 2.314 33.828 31.823 -0.515 0.000 1.003 55 V HN 0.913 nan 8.190 nan 0.000 0.425 56 T N 5.840 120.262 114.554 -0.220 0.000 2.807 56 T HA 0.653 5.003 4.350 -0.000 0.000 0.279 56 T C -0.451 174.187 174.700 -0.104 0.000 0.993 56 T CA -0.428 61.602 62.100 -0.117 0.000 0.970 56 T CB 1.452 70.348 68.868 0.046 0.000 0.950 56 T HN 0.461 nan 8.240 nan 0.000 0.441 57 M N 2.189 121.699 119.600 -0.150 0.000 2.243 57 M HA 0.511 4.991 4.480 -0.000 0.000 0.324 57 M C 0.818 177.035 176.300 -0.137 0.000 1.031 57 M CA -0.870 54.355 55.300 -0.124 0.000 0.949 57 M CB 1.889 34.378 32.600 -0.186 0.000 1.615 57 M HN 0.814 nan 8.290 nan 0.000 0.430 58 A N 4.162 126.927 122.820 -0.092 0.000 2.218 58 A HA 0.390 4.710 4.320 -0.000 0.000 0.209 58 A C 0.343 177.836 177.584 -0.152 0.000 1.168 58 A CA 0.471 52.428 52.037 -0.134 0.000 0.804 58 A CB 0.294 19.224 19.000 -0.117 0.000 0.834 58 A HN 0.733 nan 8.150 nan 0.000 0.482 59 L N -0.348 120.814 121.223 -0.103 0.000 2.737 59 L HA 0.139 4.479 4.340 -0.000 0.000 0.261 59 L C 0.901 177.718 176.870 -0.088 0.000 0.949 59 L CA -0.798 53.988 54.840 -0.090 0.000 0.952 59 L CB 1.167 43.208 42.059 -0.029 0.000 1.337 59 L HN 0.376 nan 8.230 nan 0.000 0.430 60 C N 1.630 120.805 119.300 -0.207 0.000 2.409 60 C HA -0.119 4.341 4.460 -0.000 0.000 0.284 60 C C 1.636 176.673 174.990 0.078 0.000 1.354 60 C CA 0.508 59.420 59.018 -0.176 0.000 1.787 60 C CB -1.510 26.031 27.740 -0.331 0.000 1.900 60 C HN 0.774 nan 8.230 nan 0.000 0.520 61 Y N 0.450 120.831 120.300 0.134 0.000 2.461 61 Y HA 0.082 4.632 4.550 -0.000 0.000 0.277 61 Y C 2.694 178.736 175.900 0.236 0.000 1.182 61 Y CA 0.429 58.622 58.100 0.154 0.000 1.276 61 Y CB -0.129 38.346 38.460 0.025 0.000 1.087 61 Y HN 0.314 nan 8.280 nan 0.000 0.519 62 T N -0.231 114.522 114.554 0.333 0.000 3.043 62 T HA 0.352 4.702 4.350 -0.000 0.000 0.263 62 T C 0.504 175.391 174.700 0.313 0.000 1.094 62 T CA 0.724 63.029 62.100 0.342 0.000 1.127 62 T CB -0.068 68.953 68.868 0.256 0.000 0.905 62 T HN 0.328 nan 8.240 nan 0.000 0.490 63 A N -0.106 122.909 122.820 0.324 0.000 2.581 63 A HA 0.640 4.960 4.320 -0.000 0.000 0.290 63 A C -0.764 177.000 177.584 0.301 0.000 1.119 63 A CA -0.799 51.407 52.037 0.283 0.000 0.670 63 A CB 0.941 20.101 19.000 0.266 0.000 1.280 63 A HN 0.224 nan 8.150 nan 0.000 0.425 64 T N 0.304 114.964 114.554 0.177 0.000 2.824 64 T HA 0.529 4.879 4.350 -0.000 0.000 0.280 64 T C -2.254 172.374 174.700 -0.121 0.000 0.995 64 T CA -1.615 60.485 62.100 0.001 0.000 1.009 64 T CB 1.363 70.222 68.868 -0.014 0.000 0.955 64 T HN 0.269 nan 8.240 nan 0.000 0.452 65 P HA -0.219 nan 4.420 nan 0.000 0.219 65 P C 1.059 178.302 177.300 -0.095 0.000 1.153 65 P CA 1.230 64.016 63.100 -0.523 0.000 0.865 65 P CB 0.109 31.361 31.700 -0.748 0.000 0.788 66 D N -1.567 118.772 120.400 -0.103 0.000 2.144 66 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 66 D C 2.150 178.464 176.300 0.024 0.000 0.984 66 D CA 0.947 54.931 54.000 -0.026 0.000 0.834 66 D CB -0.220 40.561 40.800 -0.030 0.000 0.955 66 D HN -0.027 nan 8.370 nan 0.000 0.465 67 R N -0.445 120.083 120.500 0.047 0.000 2.061 67 R HA -0.109 4.231 4.340 -0.000 0.000 0.230 67 R C 2.296 178.650 176.300 0.089 0.000 1.140 67 R CA 1.074 57.215 56.100 0.068 0.000 0.940 67 R CB -0.569 29.784 30.300 0.089 0.000 0.839 67 R HN 0.213 nan 8.270 nan 0.000 0.429 68 L N 0.877 122.204 121.223 0.173 0.000 1.963 68 L HA -0.264 4.076 4.340 -0.000 0.000 0.220 68 L C 2.357 179.338 176.870 0.186 0.000 1.076 68 L CA 2.673 57.659 54.840 0.243 0.000 0.772 68 L CB -0.821 41.471 42.059 0.389 0.000 0.892 68 L HN 0.410 nan 8.230 nan 0.000 0.435 69 S N -0.980 114.814 115.700 0.157 0.000 2.469 69 S HA -0.225 4.245 4.470 -0.000 0.000 0.238 69 S C 2.088 176.721 174.600 0.055 0.000 0.998 69 S CA 1.052 59.318 58.200 0.110 0.000 0.957 69 S CB -0.581 62.673 63.200 0.090 0.000 0.764 69 S HN 0.599 nan 8.310 nan 0.000 0.514 70 R N 1.438 121.956 120.500 0.030 0.000 2.065 70 R HA 0.054 4.394 4.340 -0.000 0.000 0.224 70 R C 2.599 178.865 176.300 -0.057 0.000 1.161 70 R CA 1.199 57.297 56.100 -0.003 0.000 0.923 70 R CB -0.508 29.794 30.300 0.004 0.000 0.822 70 R HN 0.429 nan 8.270 nan 0.000 0.437 71 R N -0.227 120.201 120.500 -0.120 0.000 2.159 71 R HA -0.178 4.162 4.340 -0.000 0.000 0.252 71 R C 0.262 176.244 176.300 -0.530 0.000 1.144 71 R CA 2.141 58.020 56.100 -0.369 0.000 0.961 71 R CB -0.372 29.633 30.300 -0.491 0.000 0.877 71 R HN 0.323 nan 8.270 nan 0.000 0.444 72 F N -0.355 119.598 119.950 0.005 0.000 2.532 72 F HA 0.367 4.894 4.527 -0.000 0.000 0.313 72 F C -1.783 174.010 175.800 -0.013 0.000 1.301 72 F CA -2.411 55.580 58.000 -0.016 0.000 1.154 72 F CB 1.610 40.606 39.000 -0.006 0.000 1.335 72 F HN 0.036 nan 8.300 nan 0.000 0.542 73 P HA -0.201 nan 4.420 nan 0.000 0.217 73 P C 0.347 177.687 177.300 0.067 0.000 1.148 73 P CA 1.711 64.849 63.100 0.063 0.000 0.834 73 P CB 0.116 31.828 31.700 0.021 0.000 0.783 74 N N -1.664 117.082 118.700 0.076 0.000 2.235 74 N HA 0.134 4.874 4.740 -0.000 0.000 0.209 74 N C 0.011 175.537 175.510 0.027 0.000 1.122 74 N CA -0.401 52.673 53.050 0.041 0.000 0.845 74 N CB -0.034 38.468 38.487 0.024 0.000 1.004 74 N HN 0.058 nan 8.380 nan 0.000 0.499 75 L N 0.883 122.131 121.223 0.042 0.000 2.640 75 L HA -0.179 4.161 4.340 -0.000 0.000 0.300 75 L C 1.323 178.178 176.870 -0.025 0.000 1.259 75 L CA 0.990 55.820 54.840 -0.017 0.000 0.879 75 L CB 0.501 42.557 42.059 -0.005 0.000 1.125 75 L HN 0.247 nan 8.230 nan 0.000 0.507 76 R N 0.118 120.588 120.500 -0.050 0.000 2.435 76 R HA 0.151 4.491 4.340 -0.000 0.000 0.221 76 R C -0.611 175.665 176.300 -0.039 0.000 0.885 76 R CA 0.228 56.307 56.100 -0.034 0.000 1.018 76 R CB 0.719 31.002 30.300 -0.028 0.000 1.259 76 R HN 0.754 nan 8.270 nan 0.000 0.597 77 S N -0.146 115.513 115.700 -0.069 0.000 2.536 77 S HA 0.558 5.028 4.470 -0.000 0.000 0.271 77 S C -1.730 172.728 174.600 -0.237 0.000 1.134 77 S CA -0.930 57.228 58.200 -0.070 0.000 0.897 77 S CB 2.343 65.598 63.200 0.093 0.000 1.094 77 S HN -0.023 nan 8.310 nan 0.000 0.473 78 L N 1.160 122.258 121.223 -0.209 0.000 2.370 78 L HA 0.747 5.087 4.340 -0.000 0.000 0.266 78 L C -1.049 175.685 176.870 -0.225 0.000 1.002 78 L CA -0.573 54.098 54.840 -0.282 0.000 0.818 78 L CB 1.790 43.749 42.059 -0.168 0.000 1.325 78 L HN 0.911 nan 8.230 nan 0.000 0.418 79 K N 4.788 125.035 120.400 -0.256 0.000 2.541 79 K HA 0.540 4.860 4.320 -0.000 0.000 0.250 79 K C -2.030 174.420 176.600 -0.250 0.000 0.950 79 K CA -0.497 55.664 56.287 -0.210 0.000 0.805 79 K CB 1.339 33.739 32.500 -0.167 0.000 1.166 79 K HN 0.690 nan 8.250 nan 0.000 0.430 80 L N 4.288 125.388 121.223 -0.206 0.000 2.341 80 L HA 0.494 4.834 4.340 -0.000 0.000 0.278 80 L C -0.576 176.185 176.870 -0.182 0.000 1.005 80 L CA -0.791 53.893 54.840 -0.260 0.000 0.818 80 L CB 1.889 43.765 42.059 -0.305 0.000 1.259 80 L HN 0.456 nan 8.230 nan 0.000 0.418 81 K N 1.743 122.015 120.400 -0.213 0.000 2.221 81 K HA 0.546 4.866 4.320 -0.000 0.000 0.258 81 K C 0.244 176.755 176.600 -0.148 0.000 0.944 81 K CA -0.518 55.672 56.287 -0.162 0.000 0.823 81 K CB 2.533 34.925 32.500 -0.180 0.000 1.113 81 K HN 0.710 nan 8.250 nan 0.000 0.431 82 G N 2.418 111.168 108.800 -0.084 0.000 2.606 82 G HA2 0.079 4.039 3.960 -0.000 0.000 0.213 82 G HA3 0.079 4.039 3.960 -0.000 0.000 0.213 82 G C -0.283 174.716 174.900 0.165 0.000 2.020 82 G CA -0.216 44.878 45.100 -0.009 0.000 0.814 82 G HN 0.408 nan 8.290 nan 0.000 0.685 83 K N 1.197 121.684 120.400 0.144 0.000 2.344 83 K HA 0.238 4.558 4.320 -0.000 0.000 0.260 83 K C -2.405 174.025 176.600 -0.284 0.000 0.988 83 K CA -0.795 55.377 56.287 -0.192 0.000 0.909 83 K CB 0.297 32.684 32.500 -0.188 0.000 0.968 83 K HN 0.116 nan 8.250 nan 0.000 0.505 84 P HA 0.158 nan 4.420 nan 0.000 0.276 84 P C -0.171 176.907 177.300 -0.370 0.000 1.244 84 P CA -0.443 62.414 63.100 -0.405 0.000 0.801 84 P CB 0.740 31.998 31.700 -0.738 0.000 1.006 85 R N 1.665 122.025 120.500 -0.233 0.000 2.139 85 R HA -0.201 4.139 4.340 -0.000 0.000 0.243 85 R C 1.986 178.320 176.300 0.057 0.000 1.145 85 R CA 1.741 57.808 56.100 -0.055 0.000 0.976 85 R CB -1.082 29.270 30.300 0.086 0.000 0.866 85 R HN 0.520 nan 8.270 nan 0.000 0.449 86 A N 1.681 124.410 122.820 -0.151 0.000 1.915 86 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 86 A C 2.405 180.065 177.584 0.125 0.000 1.198 86 A CA 2.089 54.127 52.037 0.002 0.000 0.647 86 A CB -0.800 17.972 19.000 -0.379 0.000 0.825 86 A HN 0.440 nan 8.150 nan 0.000 0.456 87 A N 0.021 122.786 122.820 -0.093 0.000 2.121 87 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 87 A C 1.940 179.479 177.584 -0.074 0.000 1.154 87 A CA 1.347 53.345 52.037 -0.065 0.000 0.679 87 A CB -0.790 18.121 19.000 -0.149 0.000 0.795 87 A HN 0.813 nan 8.150 nan 0.000 0.458 88 M N -3.192 116.311 119.600 -0.162 0.000 2.654 88 M HA 0.378 4.858 4.480 -0.000 0.000 0.217 88 M C -0.236 175.630 176.300 -0.723 0.000 1.183 88 M CA 0.807 55.878 55.300 -0.381 0.000 0.991 88 M CB -0.499 31.842 32.600 -0.432 0.000 1.749 88 M HN 0.191 nan 8.290 nan 0.000 0.475 89 F N -0.497 119.453 119.950 0.000 0.000 2.960 89 F HA 0.330 4.858 4.527 0.000 0.000 0.345 89 F C 0.738 176.556 175.800 0.031 0.000 1.147 89 F CA -0.583 57.429 58.000 0.021 0.000 1.099 89 F CB 0.118 39.144 39.000 0.043 0.000 1.219 89 F HN 0.327 nan 8.300 nan 0.000 0.525 90 N N 0.745 119.529 118.700 0.141 0.000 2.850 90 N HA -0.183 4.557 4.740 -0.000 0.000 0.249 90 N C 0.763 176.362 175.510 0.149 0.000 1.060 90 N CA 0.655 53.770 53.050 0.108 0.000 0.825 90 N CB -1.169 37.367 38.487 0.082 0.000 1.132 90 N HN 0.358 nan 8.380 nan 0.000 0.564 91 L N -0.246 121.104 121.223 0.212 0.000 2.209 91 L HA 0.151 4.491 4.340 -0.000 0.000 0.207 91 L C 1.414 178.473 176.870 0.316 0.000 1.094 91 L CA 0.765 55.781 54.840 0.292 0.000 0.790 91 L CB 0.022 42.308 42.059 0.378 0.000 0.932 91 L HN 0.171 nan 8.230 nan 0.000 0.447 92 I N -0.158 120.529 120.570 0.193 0.000 2.713 92 I HA 0.219 4.389 4.170 -0.000 0.000 0.300 92 I C -1.675 174.478 176.117 0.061 0.000 1.009 92 I CA -1.810 59.549 61.300 0.098 0.000 1.305 92 I CB 1.108 39.041 38.000 -0.111 0.000 1.430 92 I HN -0.148 nan 8.210 nan 0.000 0.546 93 P HA 0.110 nan 4.420 nan 0.000 0.275 93 P C 0.154 177.529 177.300 0.125 0.000 1.270 93 P CA -0.138 63.021 63.100 0.099 0.000 0.791 93 P CB 0.525 32.308 31.700 0.139 0.000 1.089 94 E N -0.298 119.980 120.200 0.129 0.000 2.207 94 E HA -0.068 4.282 4.350 -0.000 0.000 0.197 94 E C 1.124 177.815 176.600 0.152 0.000 0.914 94 E CA 0.409 56.881 56.400 0.121 0.000 0.914 94 E CB -0.892 28.860 29.700 0.085 0.000 0.893 94 E HN 0.503 nan 8.360 nan 0.000 0.479 95 N N 0.305 119.098 118.700 0.154 0.000 2.588 95 N HA -0.200 4.540 4.740 -0.000 0.000 0.190 95 N C 1.606 177.213 175.510 0.161 0.000 1.094 95 N CA 0.616 53.765 53.050 0.166 0.000 0.921 95 N CB -0.437 38.139 38.487 0.147 0.000 0.959 95 N HN 0.346 nan 8.380 nan 0.000 0.448 96 W N 2.387 123.693 121.300 0.010 0.000 2.381 96 W HA 0.103 4.763 4.660 -0.000 0.000 0.301 96 W C 1.030 177.503 176.519 -0.076 0.000 1.205 96 W CA 1.189 58.540 57.345 0.009 0.000 1.285 96 W CB -0.579 28.909 29.460 0.046 0.000 1.133 96 W HN 0.070 nan 8.180 nan 0.000 0.521 97 G N 1.226 110.184 108.800 0.263 0.000 2.936 97 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.316 97 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.316 97 G C 0.348 175.008 174.900 -0.399 0.000 0.207 97 G CA 0.032 45.094 45.100 -0.064 0.000 1.229 97 G HN 0.756 nan 8.290 nan 0.000 0.331 98 G N 1.948 110.692 108.800 -0.093 0.000 2.444 98 G HA2 0.460 4.420 3.960 -0.000 0.000 0.303 98 G HA3 0.460 4.420 3.960 -0.000 0.000 0.303 98 G C -0.053 174.730 174.900 -0.195 0.000 1.032 98 G CA -0.498 44.455 45.100 -0.244 0.000 1.137 98 G HN 0.616 nan 8.290 nan 0.000 0.430 99 Y N 1.594 121.914 120.300 0.032 0.000 2.309 99 Y HA 0.206 4.756 4.550 -0.000 0.000 0.327 99 Y C 1.122 177.036 175.900 0.024 0.000 1.172 99 Y CA -0.511 57.604 58.100 0.025 0.000 1.280 99 Y CB 2.218 40.706 38.460 0.048 0.000 1.234 99 Y HN 0.243 nan 8.280 nan 0.000 0.512 100 V N 2.359 122.327 119.914 0.089 0.000 3.647 100 V HA -0.078 4.042 4.120 -0.000 0.000 0.279 100 V C 1.145 177.277 176.094 0.062 0.000 1.314 100 V CA 1.021 63.276 62.300 -0.076 0.000 1.125 100 V CB -0.412 30.987 31.823 -0.707 0.000 0.907 100 V HN 1.025 nan 8.190 nan 0.000 0.434 101 T N 1.483 116.090 114.554 0.088 0.000 2.668 101 T HA -0.030 4.320 4.350 -0.000 0.000 0.258 101 T C -0.241 174.471 174.700 0.020 0.000 1.051 101 T CA 1.723 63.844 62.100 0.036 0.000 1.155 101 T CB -1.038 67.826 68.868 -0.006 0.000 0.864 101 T HN 0.376 nan 8.240 nan 0.000 0.413 102 P HA -0.177 nan 4.420 nan 0.000 0.221 102 P C 0.479 177.622 177.300 -0.261 0.000 1.151 102 P CA 1.496 64.471 63.100 -0.208 0.000 0.843 102 P CB -0.193 31.291 31.700 -0.360 0.000 0.778 103 W N -1.370 119.942 121.300 0.020 0.000 2.574 103 W HA 0.030 4.690 4.660 -0.000 0.000 0.282 103 W C 2.407 178.968 176.519 0.070 0.000 1.197 103 W CA 0.396 57.769 57.345 0.046 0.000 1.376 103 W CB -1.044 28.445 29.460 0.050 0.000 1.091 103 W HN -0.251 nan 8.180 nan 0.000 0.569 104 V N -1.764 118.308 119.914 0.263 0.000 2.427 104 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 104 V C 1.809 177.976 176.094 0.121 0.000 1.051 104 V CA 2.486 64.904 62.300 0.198 0.000 1.048 104 V CB -1.368 30.547 31.823 0.153 0.000 0.666 104 V HN 0.113 nan 8.190 nan 0.000 0.456 105 T N 0.230 114.827 114.554 0.072 0.000 2.635 105 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 105 T C 1.810 176.529 174.700 0.033 0.000 1.040 105 T CA 2.528 64.646 62.100 0.029 0.000 1.156 105 T CB -0.322 68.537 68.868 -0.014 0.000 0.863 105 T HN 0.704 nan 8.240 nan 0.000 0.430 106 E N 0.666 120.886 120.200 0.033 0.000 2.012 106 E HA -0.074 4.276 4.350 -0.000 0.000 0.197 106 E C 2.077 178.727 176.600 0.083 0.000 1.007 106 E CA 1.183 57.610 56.400 0.045 0.000 0.816 106 E CB -0.632 29.093 29.700 0.042 0.000 0.762 106 E HN 0.514 nan 8.360 nan 0.000 0.451 107 I N 0.107 120.755 120.570 0.130 0.000 2.182 107 I HA -0.395 3.775 4.170 -0.000 0.000 0.248 107 I C 2.534 178.697 176.117 0.077 0.000 1.073 107 I CA 1.714 63.083 61.300 0.115 0.000 1.335 107 I CB -0.411 37.674 38.000 0.143 0.000 1.031 107 I HN 0.118 nan 8.210 nan 0.000 0.420 108 S N 0.167 115.909 115.700 0.071 0.000 2.371 108 S HA -0.122 4.348 4.470 -0.000 0.000 0.224 108 S C 1.766 176.388 174.600 0.037 0.000 1.029 108 S CA 1.400 59.630 58.200 0.051 0.000 0.978 108 S CB -0.190 63.038 63.200 0.047 0.000 0.833 108 S HN 0.420 nan 8.310 nan 0.000 0.466 109 N N 1.799 120.519 118.700 0.034 0.000 2.124 109 N HA 0.041 4.781 4.740 -0.000 0.000 0.188 109 N C 1.246 176.773 175.510 0.028 0.000 1.045 109 N CA 1.450 54.515 53.050 0.025 0.000 0.846 109 N CB -0.715 37.782 38.487 0.016 0.000 1.020 109 N HN 0.549 nan 8.380 nan 0.000 0.432 110 N N -0.367 118.355 118.700 0.037 0.000 2.273 110 N HA 0.236 4.976 4.740 -0.000 0.000 0.192 110 N C -0.076 175.462 175.510 0.047 0.000 1.132 110 N CA -0.092 52.980 53.050 0.038 0.000 0.887 110 N CB 0.876 39.385 38.487 0.037 0.000 1.048 110 N HN -0.008 nan 8.380 nan 0.000 0.490 111 L N 1.984 123.242 121.223 0.058 0.000 2.796 111 L HA 0.270 4.610 4.340 -0.000 0.000 0.235 111 L C 0.782 177.676 176.870 0.039 0.000 1.344 111 L CA -0.041 54.834 54.840 0.057 0.000 1.245 111 L CB -0.094 42.010 42.059 0.074 0.000 1.556 111 L HN 0.090 nan 8.230 nan 0.000 0.423 112 R N 0.109 120.627 120.500 0.030 0.000 2.357 112 R HA -0.055 4.285 4.340 -0.000 0.000 0.202 112 R C 0.734 177.043 176.300 0.016 0.000 1.047 112 R CA 0.540 56.653 56.100 0.022 0.000 1.034 112 R CB 0.134 30.445 30.300 0.017 0.000 0.875 112 R HN 0.578 nan 8.270 nan 0.000 0.473 113 Q N 0.326 120.135 119.800 0.015 0.000 2.155 113 Q HA 0.140 4.480 4.340 -0.000 0.000 0.220 113 Q C -0.588 175.412 176.000 0.001 0.000 0.819 113 Q CA -0.316 55.491 55.803 0.006 0.000 1.032 113 Q CB 0.730 29.470 28.738 0.004 0.000 1.151 113 Q HN 0.091 nan 8.270 nan 0.000 0.487 114 L N 2.409 123.635 121.223 0.005 0.000 2.361 114 L HA 0.050 4.390 4.340 -0.000 0.000 0.278 114 L C 1.071 177.934 176.870 -0.013 0.000 1.113 114 L CA 0.781 55.617 54.840 -0.006 0.000 0.849 114 L CB 0.727 42.788 42.059 0.003 0.000 1.155 114 L HN 0.110 nan 8.230 nan 0.000 0.452 115 K N 1.007 121.393 120.400 -0.022 0.000 2.412 115 K HA 0.257 4.577 4.320 -0.000 0.000 0.202 115 K C 0.312 176.889 176.600 -0.040 0.000 1.102 115 K CA -0.168 56.104 56.287 -0.025 0.000 1.027 115 K CB 0.560 33.048 32.500 -0.020 0.000 0.931 115 K HN 0.387 nan 8.250 nan 0.000 0.557 116 S N 0.939 116.610 115.700 -0.048 0.000 2.532 116 S HA 0.547 5.017 4.470 -0.000 0.000 0.299 116 S C -0.911 173.618 174.600 -0.118 0.000 1.105 116 S CA -0.606 57.550 58.200 -0.072 0.000 1.018 116 S CB 1.575 64.754 63.200 -0.035 0.000 1.021 116 S HN 0.059 nan 8.310 nan 0.000 0.483 117 V N 5.188 124.981 119.914 -0.202 0.000 2.604 117 V HA 0.567 4.687 4.120 -0.000 0.000 0.305 117 V C -0.864 174.952 176.094 -0.463 0.000 1.043 117 V CA -0.753 61.326 62.300 -0.368 0.000 0.888 117 V CB 1.671 33.195 31.823 -0.498 0.000 0.995 117 V HN 0.979 nan 8.190 nan 0.000 0.429 118 H N 4.759 123.476 119.070 -0.588 0.000 2.970 118 H HA 0.541 5.097 4.556 -0.000 0.000 0.315 118 H C -1.775 173.303 175.328 -0.418 0.000 0.992 118 H CA -1.425 54.358 56.048 -0.442 0.000 1.363 118 H CB 0.899 30.538 29.762 -0.204 0.000 1.532 118 H HN 0.393 nan 8.280 nan 0.000 0.514 119 F N 3.820 123.886 119.950 0.195 0.000 2.408 119 F HA 0.473 5.000 4.527 -0.000 0.000 0.344 119 F C 0.810 176.692 175.800 0.136 0.000 1.112 119 F CA -0.702 57.338 58.000 0.066 0.000 1.096 119 F CB 1.016 40.000 39.000 -0.026 0.000 1.129 119 F HN 0.364 nan 8.300 nan 0.000 0.486 120 R N 2.652 123.270 120.500 0.196 0.000 2.451 120 R HA 0.472 4.812 4.340 -0.000 0.000 0.307 120 R C 0.038 176.356 176.300 0.029 0.000 0.965 120 R CA -0.633 55.524 56.100 0.095 0.000 0.865 120 R CB 0.663 30.938 30.300 -0.042 0.000 1.174 120 R HN 0.773 nan 8.270 nan 0.000 0.455 121 R N 2.677 123.198 120.500 0.036 0.000 3.641 121 R HA -0.175 4.165 4.340 -0.000 0.000 0.286 121 R C -0.326 175.988 176.300 0.022 0.000 1.153 121 R CA 1.010 57.115 56.100 0.008 0.000 0.775 121 R CB -0.972 29.299 30.300 -0.048 0.000 1.215 121 R HN 0.541 nan 8.270 nan 0.000 0.474 122 M N 0.433 120.054 119.600 0.035 0.000 2.706 122 M HA 0.484 4.964 4.480 -0.000 0.000 0.304 122 M C 0.646 176.954 176.300 0.013 0.000 1.217 122 M CA -0.761 54.532 55.300 -0.013 0.000 0.922 122 M CB 1.286 33.826 32.600 -0.099 0.000 1.637 122 M HN -0.018 nan 8.290 nan 0.000 0.492 123 I N 0.797 121.364 120.570 -0.006 0.000 2.437 123 I HA 0.521 4.691 4.170 -0.000 0.000 0.298 123 I C -0.623 175.526 176.117 0.054 0.000 0.984 123 I CA -0.939 60.406 61.300 0.077 0.000 1.214 123 I CB 1.510 39.591 38.000 0.136 0.000 1.365 123 I HN 0.219 nan 8.210 nan 0.000 0.469 124 V N 4.006 123.993 119.914 0.122 0.000 2.509 124 V HA 0.188 4.308 4.120 -0.000 0.000 0.289 124 V C 0.075 176.262 176.094 0.155 0.000 1.026 124 V CA -0.553 61.775 62.300 0.047 0.000 0.872 124 V CB 1.458 33.237 31.823 -0.072 0.000 1.017 124 V HN 0.841 nan 8.190 nan 0.000 0.436 125 S N 2.496 118.256 115.700 0.099 0.000 2.569 125 S HA 0.027 4.497 4.470 -0.000 0.000 0.274 125 S C 1.075 175.749 174.600 0.122 0.000 1.353 125 S CA -0.240 58.023 58.200 0.105 0.000 1.023 125 S CB 0.616 63.849 63.200 0.054 0.000 0.876 125 S HN 0.819 nan 8.310 nan 0.000 0.540 126 D N 0.519 120.994 120.400 0.125 0.000 2.117 126 D HA -0.095 4.545 4.640 -0.000 0.000 0.197 126 D C 1.903 178.239 176.300 0.061 0.000 0.987 126 D CA 0.678 54.736 54.000 0.097 0.000 0.829 126 D CB -0.252 40.597 40.800 0.083 0.000 0.961 126 D HN 0.328 nan 8.370 nan 0.000 0.460 127 L N 1.674 122.929 121.223 0.052 0.000 1.956 127 L HA -0.233 4.107 4.340 -0.000 0.000 0.216 127 L C 1.516 178.409 176.870 0.039 0.000 1.073 127 L CA 2.338 57.201 54.840 0.039 0.000 0.762 127 L CB -0.999 41.075 42.059 0.025 0.000 0.889 127 L HN 0.048 nan 8.230 nan 0.000 0.433 128 D N -1.591 118.830 120.400 0.035 0.000 2.317 128 D HA -0.170 4.470 4.640 -0.000 0.000 0.211 128 D C 2.059 178.388 176.300 0.048 0.000 0.966 128 D CA 0.629 54.651 54.000 0.037 0.000 0.876 128 D CB -0.563 40.251 40.800 0.024 0.000 0.927 128 D HN 0.319 nan 8.370 nan 0.000 0.519 129 L N 0.923 122.169 121.223 0.037 0.000 2.093 129 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 129 L C 1.770 178.660 176.870 0.032 0.000 1.085 129 L CA 1.698 56.552 54.840 0.024 0.000 0.755 129 L CB -0.633 41.417 42.059 -0.014 0.000 0.904 129 L HN 0.104 nan 8.230 nan 0.000 0.435 130 D N -1.095 119.330 120.400 0.041 0.000 2.234 130 D HA -0.154 4.486 4.640 -0.000 0.000 0.205 130 D C 2.063 178.419 176.300 0.093 0.000 0.962 130 D CA 0.518 54.554 54.000 0.060 0.000 0.855 130 D CB 0.203 41.038 40.800 0.058 0.000 0.951 130 D HN 0.299 nan 8.370 nan 0.000 0.500 131 R N 0.349 120.893 120.500 0.073 0.000 2.096 131 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 131 R C 2.500 178.849 176.300 0.081 0.000 1.127 131 R CA 0.332 56.475 56.100 0.071 0.000 0.968 131 R CB -0.418 29.915 30.300 0.056 0.000 0.861 131 R HN 0.301 nan 8.270 nan 0.000 0.440 132 L N 0.343 121.618 121.223 0.086 0.000 2.046 132 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 132 L C 2.327 179.251 176.870 0.089 0.000 1.077 132 L CA 1.542 56.438 54.840 0.092 0.000 0.747 132 L CB -0.431 41.692 42.059 0.107 0.000 0.896 132 L HN 0.186 nan 8.230 nan 0.000 0.432 133 A N -0.099 122.787 122.820 0.109 0.000 1.854 133 A HA -0.206 4.114 4.320 -0.000 0.000 0.214 133 A C 2.212 179.912 177.584 0.194 0.000 1.192 133 A CA 1.452 53.580 52.037 0.151 0.000 0.611 133 A CB -0.373 18.715 19.000 0.146 0.000 0.832 133 A HN 0.338 nan 8.150 nan 0.000 0.442 134 K N -0.189 120.340 120.400 0.216 0.000 2.034 134 K HA -0.221 4.099 4.320 -0.000 0.000 0.214 134 K C 2.309 178.924 176.600 0.026 0.000 1.051 134 K CA 1.567 57.883 56.287 0.048 0.000 0.931 134 K CB -0.408 32.109 32.500 0.030 0.000 0.715 134 K HN 0.454 nan 8.250 nan 0.000 0.446 135 A N 1.120 123.969 122.820 0.048 0.000 1.873 135 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 135 A C 2.118 179.722 177.584 0.034 0.000 1.186 135 A CA 1.403 53.461 52.037 0.036 0.000 0.616 135 A CB -0.237 18.790 19.000 0.046 0.000 0.823 135 A HN 0.086 nan 8.150 nan 0.000 0.442 136 R N -1.277 119.249 120.500 0.044 0.000 2.127 136 R HA 0.402 4.742 4.340 -0.000 0.000 0.217 136 R C 1.293 177.613 176.300 0.033 0.000 1.074 136 R CA 0.773 56.893 56.100 0.034 0.000 0.991 136 R CB -1.128 29.190 30.300 0.031 0.000 0.895 136 R HN 0.824 nan 8.270 nan 0.000 0.450 137 A N 0.512 123.362 122.820 0.050 0.000 5.821 137 A HA -0.299 4.021 4.320 -0.000 0.000 0.282 137 A C 0.798 178.412 177.584 0.049 0.000 2.032 137 A CA 1.246 53.315 52.037 0.052 0.000 0.715 137 A CB -1.539 17.472 19.000 0.019 0.000 1.178 137 A HN 0.340 nan 8.150 nan 0.000 0.370 138 D N -0.311 120.113 120.400 0.040 0.000 2.392 138 D HA 0.117 4.757 4.640 -0.000 0.000 0.228 138 D C 1.093 177.406 176.300 0.021 0.000 1.003 138 D CA 1.275 55.296 54.000 0.035 0.000 0.917 138 D CB -0.273 40.545 40.800 0.031 0.000 0.890 138 D HN 0.492 nan 8.370 nan 0.000 0.532 139 D N -0.652 119.759 120.400 0.017 0.000 2.240 139 D HA 0.005 4.645 4.640 -0.000 0.000 0.206 139 D C 0.552 176.854 176.300 0.003 0.000 0.963 139 D CA 0.021 54.026 54.000 0.008 0.000 0.863 139 D CB 0.301 41.106 40.800 0.008 0.000 0.973 139 D HN 0.151 nan 8.370 nan 0.000 0.501 140 L N 0.780 122.006 121.223 0.005 0.000 2.410 140 L HA 0.182 4.522 4.340 -0.000 0.000 0.273 140 L C 0.777 177.639 176.870 -0.012 0.000 1.144 140 L CA 0.392 55.227 54.840 -0.008 0.000 0.863 140 L CB 1.018 43.072 42.059 -0.008 0.000 1.140 140 L HN -0.102 nan 8.230 nan 0.000 0.463 141 E N 1.529 121.715 120.200 -0.025 0.000 2.290 141 E HA 0.078 4.428 4.350 -0.000 0.000 0.199 141 E C -0.337 176.241 176.600 -0.037 0.000 0.912 141 E CA 0.668 57.054 56.400 -0.023 0.000 0.924 141 E CB 0.633 30.319 29.700 -0.024 0.000 0.901 141 E HN 0.791 nan 8.360 nan 0.000 0.487 142 T N -0.031 114.489 114.554 -0.058 0.000 2.949 142 T HA 0.521 4.871 4.350 -0.000 0.000 0.300 142 T C -1.054 173.569 174.700 -0.128 0.000 0.988 142 T CA -0.917 61.134 62.100 -0.083 0.000 0.993 142 T CB 1.424 70.245 68.868 -0.079 0.000 0.984 142 T HN -0.001 nan 8.240 nan 0.000 0.442 143 L N 2.454 123.588 121.223 -0.148 0.000 2.346 143 L HA 0.816 5.156 4.340 -0.000 0.000 0.274 143 L C -0.918 175.797 176.870 -0.257 0.000 1.007 143 L CA -0.540 54.172 54.840 -0.215 0.000 0.818 143 L CB 1.753 43.703 42.059 -0.181 0.000 1.284 143 L HN 0.805 nan 8.230 nan 0.000 0.424 144 K N 6.308 126.494 120.400 -0.356 0.000 2.675 144 K HA 0.453 4.773 4.320 -0.000 0.000 0.224 144 K C -1.478 174.944 176.600 -0.298 0.000 1.003 144 K CA -0.363 55.676 56.287 -0.413 0.000 1.034 144 K CB 1.102 33.105 32.500 -0.829 0.000 1.218 144 K HN 0.570 nan 8.250 nan 0.000 0.507 145 L N 2.381 123.493 121.223 -0.186 0.000 2.319 145 L HA 0.300 4.640 4.340 -0.000 0.000 0.280 145 L C -0.207 176.661 176.870 -0.003 0.000 1.099 145 L CA -0.082 54.714 54.840 -0.073 0.000 0.828 145 L CB 0.352 42.261 42.059 -0.250 0.000 1.150 145 L HN 0.551 nan 8.230 nan 0.000 0.442 146 D N 4.165 124.612 120.400 0.078 0.000 2.319 146 D HA 0.172 4.812 4.640 -0.000 0.000 0.237 146 D C -0.433 175.928 176.300 0.102 0.000 1.353 146 D CA -0.684 53.366 54.000 0.084 0.000 0.992 146 D CB 0.722 41.598 40.800 0.126 0.000 1.368 146 D HN 0.406 nan 8.370 nan 0.000 0.564 147 K N 1.213 121.666 120.400 0.089 0.000 3.148 147 K HA -0.158 4.162 4.320 -0.000 0.000 0.267 147 K C -0.661 176.000 176.600 0.101 0.000 0.996 147 K CA 0.739 57.065 56.287 0.064 0.000 0.737 147 K CB -1.718 30.784 32.500 0.004 0.000 1.308 147 K HN 0.481 nan 8.250 nan 0.000 0.470 148 C N -0.273 119.136 119.300 0.182 0.000 2.531 148 C HA 0.834 5.294 4.460 -0.000 0.000 0.369 148 C C 0.417 175.614 174.990 0.344 0.000 1.258 148 C CA 0.065 59.223 59.018 0.233 0.000 1.876 148 C CB 1.829 29.700 27.740 0.218 0.000 2.256 148 C HN 0.678 nan 8.230 nan 0.000 0.510 149 S N -0.978 114.927 115.700 0.340 0.000 2.588 149 S HA 0.688 5.158 4.470 -0.000 0.000 0.269 149 S C -0.100 174.662 174.600 0.271 0.000 1.157 149 S CA 0.508 58.857 58.200 0.248 0.000 0.824 149 S CB 1.099 64.364 63.200 0.108 0.000 1.126 149 S HN 2.489 nan 8.310 nan 0.000 0.464 150 G N 0.378 109.251 108.800 0.122 0.000 2.176 150 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.232 150 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.232 150 G C -0.140 174.866 174.900 0.176 0.000 0.986 150 G CA 0.254 45.436 45.100 0.135 0.000 0.643 150 G HN 1.675 nan 8.290 nan 0.000 0.522 151 F N 0.540 120.535 119.950 0.076 0.000 2.535 151 F HA 0.935 5.462 4.527 0.000 0.000 0.367 151 F C 0.430 176.287 175.800 0.095 0.000 1.096 151 F CA -0.353 57.679 58.000 0.053 0.000 1.088 151 F CB 1.227 40.229 39.000 0.004 0.000 1.387 151 F HN 0.505 nan 8.300 nan 0.000 0.494 152 T N -3.973 110.657 114.554 0.126 0.000 2.816 152 T HA 0.260 4.610 4.350 -0.000 0.000 0.299 152 T C 0.680 175.446 174.700 0.110 0.000 1.230 152 T CA -0.065 62.076 62.100 0.069 0.000 1.007 152 T CB 0.825 69.732 68.868 0.065 0.000 1.289 152 T HN 1.079 nan 8.240 nan 0.000 0.508 153 T N -1.249 113.379 114.554 0.124 0.000 2.918 153 T HA -0.129 4.221 4.350 -0.000 0.000 0.271 153 T C 1.115 175.852 174.700 0.063 0.000 1.104 153 T CA 1.905 64.041 62.100 0.061 0.000 1.114 153 T CB -0.893 68.127 68.868 0.253 0.000 0.855 153 T HN 0.618 nan 8.240 nan 0.000 0.518 154 D N 1.708 122.156 120.400 0.079 0.000 2.097 154 D HA 0.029 4.669 4.640 -0.000 0.000 0.195 154 D C 2.418 178.734 176.300 0.028 0.000 0.989 154 D CA 1.523 55.560 54.000 0.060 0.000 0.827 154 D CB -0.963 39.873 40.800 0.059 0.000 0.966 154 D HN 0.568 nan 8.370 nan 0.000 0.456 155 G N 0.448 109.271 108.800 0.038 0.000 2.402 155 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 155 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 155 G C 1.703 176.559 174.900 -0.073 0.000 1.162 155 G CA 0.193 45.294 45.100 0.002 0.000 0.777 155 G HN 0.230 nan 8.290 nan 0.000 0.539 156 L N -0.236 120.910 121.223 -0.128 0.000 2.012 156 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 156 L C 2.785 179.596 176.870 -0.100 0.000 1.073 156 L CA 1.308 55.988 54.840 -0.267 0.000 0.748 156 L CB -0.501 41.171 42.059 -0.645 0.000 0.891 156 L HN 0.318 nan 8.230 nan 0.000 0.431 157 L N -0.702 120.524 121.223 0.005 0.000 2.093 157 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 157 L C 2.700 179.543 176.870 -0.044 0.000 1.085 157 L CA 1.932 56.822 54.840 0.084 0.000 0.755 157 L CB -0.545 41.584 42.059 0.116 0.000 0.904 157 L HN 0.122 nan 8.230 nan 0.000 0.435 158 S N -0.586 115.057 115.700 -0.094 0.000 2.419 158 S HA -0.172 4.298 4.470 -0.000 0.000 0.235 158 S C 1.971 176.401 174.600 -0.282 0.000 1.019 158 S CA 1.530 59.595 58.200 -0.226 0.000 0.982 158 S CB -0.661 62.455 63.200 -0.140 0.000 0.789 158 S HN 0.630 nan 8.310 nan 0.000 0.490 159 I N 0.105 120.591 120.570 -0.139 0.000 3.462 159 I HA 0.157 4.327 4.170 -0.000 0.000 0.290 159 I C 1.776 177.868 176.117 -0.042 0.000 1.236 159 I CA 0.621 61.869 61.300 -0.087 0.000 1.418 159 I CB -0.075 37.885 38.000 -0.066 0.000 1.102 159 I HN 0.152 nan 8.210 nan 0.000 0.441 160 V N -0.088 119.813 119.914 -0.022 0.000 2.548 160 V HA -0.117 4.003 4.120 -0.000 0.000 0.249 160 V C 2.624 178.726 176.094 0.013 0.000 1.055 160 V CA 1.955 64.271 62.300 0.027 0.000 1.065 160 V CB -2.418 29.459 31.823 0.090 0.000 0.681 160 V HN 0.657 nan 8.190 nan 0.000 0.462 161 T N -1.479 113.049 114.554 -0.043 0.000 2.896 161 T HA -0.118 4.232 4.350 -0.000 0.000 0.263 161 T C 1.660 176.436 174.700 0.127 0.000 1.050 161 T CA 1.663 63.758 62.100 -0.008 0.000 1.140 161 T CB -0.764 68.065 68.868 -0.065 0.000 0.877 161 T HN 0.687 nan 8.240 nan 0.000 0.457 162 H N -0.718 118.375 119.070 0.038 0.000 2.553 162 H HA 0.359 4.915 4.556 0.000 0.000 0.265 162 H C 0.110 175.457 175.328 0.032 0.000 0.964 162 H CA -0.476 55.594 56.048 0.035 0.000 1.156 162 H CB 0.198 29.977 29.762 0.028 0.000 1.411 162 H HN 0.346 nan 8.280 nan 0.000 0.558 163 C N 1.797 121.175 119.300 0.130 0.000 3.003 163 C HA 0.248 4.708 4.460 -0.000 0.000 0.241 163 C C 1.271 176.302 174.990 0.068 0.000 1.224 163 C CA -0.758 58.309 59.018 0.080 0.000 1.560 163 C CB -0.382 27.388 27.740 0.050 0.000 1.768 163 C HN 0.572 nan 8.230 nan 0.000 0.440 164 R N 0.402 120.949 120.500 0.079 0.000 2.300 164 R HA 0.079 4.419 4.340 -0.000 0.000 0.199 164 R C 0.987 177.324 176.300 0.061 0.000 0.920 164 R CA 0.442 56.593 56.100 0.086 0.000 1.046 164 R CB 0.303 30.667 30.300 0.107 0.000 0.984 164 R HN 0.512 nan 8.270 nan 0.000 0.493 165 K N 0.845 121.271 120.400 0.044 0.000 2.514 165 K HA 0.284 4.604 4.320 -0.000 0.000 0.207 165 K C 0.083 176.696 176.600 0.021 0.000 1.035 165 K CA -0.203 56.101 56.287 0.028 0.000 1.113 165 K CB 0.634 33.146 32.500 0.021 0.000 0.846 165 K HN 0.043 nan 8.250 nan 0.000 0.491 166 I N 1.514 122.099 120.570 0.025 0.000 2.752 166 I HA -0.139 4.031 4.170 -0.000 0.000 0.287 166 I C 1.119 177.244 176.117 0.012 0.000 1.188 166 I CA 0.940 62.249 61.300 0.014 0.000 1.427 166 I CB 0.853 38.865 38.000 0.019 0.000 1.365 166 I HN 0.237 nan 8.210 nan 0.000 0.585 167 K N 2.242 122.641 120.400 -0.001 0.000 2.353 167 K HA 0.080 4.400 4.320 -0.000 0.000 0.206 167 K C 0.330 176.925 176.600 -0.008 0.000 1.191 167 K CA 0.371 56.657 56.287 -0.003 0.000 0.897 167 K CB 0.501 32.995 32.500 -0.011 0.000 1.283 167 K HN 0.754 nan 8.250 nan 0.000 0.477 168 T N 0.362 114.901 114.554 -0.025 0.000 2.792 168 T HA 0.584 4.934 4.350 -0.000 0.000 0.280 168 T C -1.059 173.612 174.700 -0.048 0.000 0.990 168 T CA -0.795 61.282 62.100 -0.037 0.000 0.960 168 T CB 1.339 70.172 68.868 -0.058 0.000 0.939 168 T HN -0.033 nan 8.240 nan 0.000 0.439 169 L N 4.974 126.181 121.223 -0.028 0.000 2.482 169 L HA 0.781 5.121 4.340 -0.000 0.000 0.269 169 L C -1.767 175.100 176.870 -0.005 0.000 0.967 169 L CA -0.819 54.003 54.840 -0.030 0.000 0.851 169 L CB 1.606 43.674 42.059 0.015 0.000 1.242 169 L HN 0.955 nan 8.230 nan 0.000 0.404 170 L N 5.042 126.231 121.223 -0.057 0.000 2.422 170 L HA 0.684 5.024 4.340 -0.000 0.000 0.264 170 L C -1.304 175.555 176.870 -0.019 0.000 0.984 170 L CA -0.584 54.245 54.840 -0.019 0.000 0.819 170 L CB 2.358 44.367 42.059 -0.084 0.000 1.330 170 L HN 0.825 nan 8.230 nan 0.000 0.410 171 M N 3.083 122.742 119.600 0.097 0.000 3.114 171 M HA 0.240 4.720 4.480 -0.000 0.000 0.386 171 M C 0.777 177.207 176.300 0.217 0.000 1.417 171 M CA -0.021 55.359 55.300 0.132 0.000 0.785 171 M CB 0.999 33.693 32.600 0.157 0.000 1.413 171 M HN 0.762 nan 8.290 nan 0.000 0.498 172 E N 1.813 122.102 120.200 0.147 0.000 2.033 172 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 172 E C 0.882 177.579 176.600 0.162 0.000 1.011 172 E CA 1.735 58.234 56.400 0.165 0.000 0.815 172 E CB 0.322 30.088 29.700 0.110 0.000 0.755 172 E HN 0.583 nan 8.360 nan 0.000 0.451 173 E N -0.304 119.970 120.200 0.124 0.000 2.812 173 E HA 0.165 4.515 4.350 -0.000 0.000 0.211 173 E C -0.858 175.798 176.600 0.093 0.000 0.986 173 E CA -0.341 56.106 56.400 0.077 0.000 1.119 173 E CB 1.143 30.857 29.700 0.022 0.000 1.046 173 E HN 0.042 nan 8.360 nan 0.000 0.474 174 S N 0.819 116.633 115.700 0.190 0.000 2.589 174 S HA 0.197 4.667 4.470 -0.000 0.000 0.265 174 S C 0.176 174.904 174.600 0.214 0.000 1.342 174 S CA -0.317 58.050 58.200 0.279 0.000 1.005 174 S CB 1.190 64.683 63.200 0.488 0.000 0.909 174 S HN 0.230 nan 8.310 nan 0.000 0.555 175 S N 1.542 117.315 115.700 0.122 0.000 2.779 175 S HA 0.693 5.163 4.470 -0.000 0.000 0.293 175 S C -0.724 173.680 174.600 -0.326 0.000 1.150 175 S CA -0.934 57.166 58.200 -0.166 0.000 1.057 175 S CB -0.042 63.053 63.200 -0.175 0.000 1.021 175 S HN 0.570 nan 8.310 nan 0.000 0.485 176 F N 0.478 120.076 119.950 -0.586 0.000 2.764 176 F HA 0.854 5.381 4.527 0.000 0.000 0.347 176 F C -0.091 175.441 175.800 -0.447 0.000 1.151 176 F CA -1.474 56.042 58.000 -0.806 0.000 1.021 176 F CB 0.670 38.842 39.000 -1.380 0.000 1.438 176 F HN 0.349 nan 8.300 nan 0.000 0.516 177 S N 0.199 115.792 115.700 -0.178 0.000 2.422 177 S HA 0.172 4.642 4.470 -0.000 0.000 0.298 177 S C -0.445 174.189 174.600 0.056 0.000 1.118 177 S CA -0.535 57.590 58.200 -0.125 0.000 1.083 177 S CB 0.210 63.381 63.200 -0.049 0.000 0.971 177 S HN 0.600 nan 8.310 nan 0.000 0.478 178 E N 3.679 123.846 120.200 -0.055 0.000 1.861 178 E HA 0.117 4.467 4.350 -0.000 0.000 0.263 178 E C 0.490 177.166 176.600 0.128 0.000 1.137 178 E CA -0.065 56.413 56.400 0.130 0.000 0.944 178 E CB 0.172 29.907 29.700 0.057 0.000 1.092 178 E HN 0.493 nan 8.360 nan 0.000 0.420 179 K N 1.927 122.418 120.400 0.151 0.000 2.021 179 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 179 K C 0.364 177.036 176.600 0.120 0.000 1.047 179 K CA 1.611 57.963 56.287 0.109 0.000 0.943 179 K CB 0.180 32.735 32.500 0.091 0.000 0.725 179 K HN 0.517 nan 8.250 nan 0.000 0.439 180 D N -3.387 117.112 120.400 0.166 0.000 2.732 180 D HA 0.253 4.893 4.640 -0.000 0.000 0.292 180 D C 0.402 176.822 176.300 0.201 0.000 1.135 180 D CA -0.884 53.201 54.000 0.141 0.000 1.071 180 D CB 0.946 41.800 40.800 0.091 0.000 1.457 180 D HN -0.055 nan 8.370 nan 0.000 0.547 181 G N -1.267 107.590 108.800 0.096 0.000 3.126 181 G HA2 0.000 3.960 3.960 -0.000 0.000 0.224 181 G HA3 0.000 3.960 3.960 -0.000 0.000 0.224 181 G C 0.911 175.713 174.900 -0.164 0.000 1.142 181 G CA -0.225 44.871 45.100 -0.005 0.000 0.759 181 G HN 0.341 nan 8.290 nan 0.000 0.550 182 K N 0.703 121.090 120.400 -0.021 0.000 2.015 182 K HA -0.225 4.095 4.320 -0.000 0.000 0.220 182 K C 2.307 178.865 176.600 -0.069 0.000 1.055 182 K CA 2.191 58.462 56.287 -0.027 0.000 0.951 182 K CB -0.414 32.110 32.500 0.040 0.000 0.725 182 K HN 0.594 nan 8.250 nan 0.000 0.449 183 W N 1.394 122.675 121.300 -0.032 0.000 2.274 183 W HA -0.302 4.358 4.660 -0.000 0.000 0.314 183 W C 1.494 177.966 176.519 -0.079 0.000 1.254 183 W CA 1.137 58.442 57.345 -0.066 0.000 1.265 183 W CB -1.288 28.120 29.460 -0.087 0.000 1.141 183 W HN 0.156 nan 8.180 nan 0.000 0.505 184 L N 0.359 120.827 121.223 -1.258 0.000 1.994 184 L HA -0.270 4.070 4.340 -0.000 0.000 0.208 184 L C 2.996 179.613 176.870 -0.422 0.000 1.071 184 L CA 2.544 56.762 54.840 -1.037 0.000 0.745 184 L CB -0.976 40.364 42.059 -1.198 0.000 0.892 184 L HN 0.035 nan 8.230 nan 0.000 0.431 185 H N -0.493 118.341 119.070 -0.393 0.000 2.390 185 H HA -0.273 4.283 4.556 -0.000 0.000 0.298 185 H C 2.111 177.333 175.328 -0.177 0.000 1.106 185 H CA 2.130 58.042 56.048 -0.226 0.000 1.297 185 H CB 0.235 29.889 29.762 -0.180 0.000 1.375 185 H HN 0.297 nan 8.280 nan 0.000 0.509 186 E N 0.236 120.397 120.200 -0.065 0.000 2.051 186 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 186 E C 2.287 178.804 176.600 -0.138 0.000 0.991 186 E CA 1.179 57.499 56.400 -0.133 0.000 0.799 186 E CB -0.417 29.228 29.700 -0.092 0.000 0.748 186 E HN 0.529 nan 8.360 nan 0.000 0.449 187 L N -0.081 121.095 121.223 -0.078 0.000 2.012 187 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 187 L C 2.409 179.254 176.870 -0.042 0.000 1.073 187 L CA 1.239 56.063 54.840 -0.026 0.000 0.748 187 L CB -0.683 41.374 42.059 -0.004 0.000 0.891 187 L HN 0.294 nan 8.230 nan 0.000 0.431 188 A N -0.073 122.673 122.820 -0.125 0.000 1.870 188 A HA -0.363 3.957 4.320 -0.000 0.000 0.219 188 A C 1.963 179.512 177.584 -0.058 0.000 1.286 188 A CA 2.448 54.398 52.037 -0.145 0.000 0.682 188 A CB -0.909 17.890 19.000 -0.336 0.000 0.844 188 A HN 0.596 nan 8.150 nan 0.000 0.460 189 Q N -1.865 117.915 119.800 -0.034 0.000 2.415 189 Q HA 0.028 4.368 4.340 -0.000 0.000 0.206 189 Q C 0.474 176.726 176.000 0.421 0.000 0.946 189 Q CA 0.779 56.674 55.803 0.154 0.000 0.951 189 Q CB 0.134 28.988 28.738 0.193 0.000 1.026 189 Q HN 0.878 nan 8.270 nan 0.000 0.510 190 H N -2.251 116.805 119.070 -0.023 0.000 3.876 190 H HA 0.218 4.774 4.556 0.000 0.000 0.262 190 H C -0.657 174.672 175.328 0.002 0.000 1.158 190 H CA -0.406 55.641 56.048 -0.002 0.000 1.170 190 H CB 0.591 30.361 29.762 0.013 0.000 1.528 190 H HN 0.052 nan 8.280 nan 0.000 0.689 191 N N -0.311 118.461 118.700 0.119 0.000 2.399 191 N HA 0.267 5.006 4.740 -0.000 0.000 0.295 191 N C 0.229 175.765 175.510 0.043 0.000 1.048 191 N CA 0.077 53.170 53.050 0.072 0.000 0.886 191 N CB 1.452 39.978 38.487 0.066 0.000 1.185 191 N HN -0.051 nan 8.380 nan 0.000 0.487 192 T N -0.413 114.160 114.554 0.031 0.000 2.958 192 T HA 0.043 4.393 4.350 -0.000 0.000 0.256 192 T C 0.977 175.687 174.700 0.017 0.000 0.983 192 T CA 0.055 62.166 62.100 0.018 0.000 0.924 192 T CB 0.212 69.085 68.868 0.008 0.000 1.136 192 T HN 0.596 nan 8.240 nan 0.000 0.506 193 S N 0.709 116.421 115.700 0.022 0.000 2.523 193 S HA 0.319 4.789 4.470 -0.000 0.000 0.217 193 S C 0.414 175.025 174.600 0.019 0.000 0.996 193 S CA -0.450 57.759 58.200 0.016 0.000 0.921 193 S CB -0.148 63.060 63.200 0.014 0.000 0.829 193 S HN 0.141 nan 8.310 nan 0.000 0.495 194 L N 3.133 124.374 121.223 0.030 0.000 2.628 194 L HA 0.047 4.387 4.340 -0.000 0.000 0.274 194 L C 1.302 178.189 176.870 0.028 0.000 1.209 194 L CA 0.967 55.829 54.840 0.035 0.000 0.930 194 L CB -0.018 42.075 42.059 0.057 0.000 1.183 194 L HN 0.278 nan 8.230 nan 0.000 0.492 195 E N 2.215 122.425 120.200 0.017 0.000 2.206 195 E HA 0.130 4.480 4.350 -0.000 0.000 0.195 195 E C -0.354 176.253 176.600 0.012 0.000 0.935 195 E CA 0.216 56.622 56.400 0.010 0.000 0.875 195 E CB 0.842 30.540 29.700 -0.003 0.000 0.841 195 E HN 0.352 nan 8.360 nan 0.000 0.477 196 V N 1.963 121.881 119.914 0.006 0.000 2.577 196 V HA 0.458 4.578 4.120 -0.000 0.000 0.303 196 V C -1.852 174.252 176.094 0.016 0.000 1.042 196 V CA -0.871 61.429 62.300 0.000 0.000 0.872 196 V CB 1.683 33.489 31.823 -0.029 0.000 0.998 196 V HN 0.086 nan 8.190 nan 0.000 0.423 197 L N 6.303 127.545 121.223 0.031 0.000 2.349 197 L HA 0.696 5.036 4.340 -0.000 0.000 0.278 197 L C -0.601 176.276 176.870 0.011 0.000 0.996 197 L CA 0.259 55.148 54.840 0.081 0.000 0.825 197 L CB 1.732 43.879 42.059 0.146 0.000 1.243 197 L HN 0.735 nan 8.230 nan 0.000 0.412 198 N N 5.066 123.807 118.700 0.069 0.000 2.687 198 N HA 0.161 4.901 4.740 -0.000 0.000 0.275 198 N C -1.306 174.265 175.510 0.103 0.000 1.789 198 N CA -0.279 52.755 53.050 -0.027 0.000 0.806 198 N CB 0.321 38.783 38.487 -0.041 0.000 1.256 198 N HN 0.569 nan 8.380 nan 0.000 0.500 199 F N 0.850 120.854 119.950 0.091 0.000 2.611 199 F HA 0.362 4.889 4.527 -0.000 0.000 0.321 199 F C 1.197 177.132 175.800 0.224 0.000 1.208 199 F CA -1.002 57.114 58.000 0.195 0.000 1.249 199 F CB -0.270 38.918 39.000 0.314 0.000 1.514 199 F HN 0.008 nan 8.300 nan 0.000 0.561 200 Y N 2.162 122.448 120.300 -0.023 0.000 1.915 200 Y HA -0.266 4.284 4.550 -0.000 0.000 0.195 200 Y C 1.786 177.666 175.900 -0.034 0.000 0.952 200 Y CA 1.726 59.758 58.100 -0.114 0.000 0.919 200 Y CB -0.064 38.345 38.460 -0.085 0.000 0.873 200 Y HN 0.374 nan 8.280 nan 0.000 0.570 201 M N 1.353 120.773 119.600 -0.300 0.000 2.549 201 M HA 0.079 4.559 4.480 -0.000 0.000 0.273 201 M C 0.066 176.306 176.300 -0.099 0.000 1.213 201 M CA 0.321 55.398 55.300 -0.372 0.000 0.976 201 M CB -1.491 30.760 32.600 -0.582 0.000 1.457 201 M HN 0.454 nan 8.290 nan 0.000 0.485 202 T N 0.464 115.071 114.554 0.088 0.000 2.752 202 T HA 0.211 4.561 4.350 -0.000 0.000 0.295 202 T C 0.345 175.130 174.700 0.142 0.000 0.923 202 T CA -0.632 61.528 62.100 0.101 0.000 1.112 202 T CB 0.447 69.453 68.868 0.229 0.000 0.884 202 T HN 0.385 nan 8.240 nan 0.000 0.525 203 E N 3.430 123.618 120.200 -0.020 0.000 2.265 203 E HA 0.112 4.461 4.350 -0.000 0.000 0.272 203 E C -1.149 175.439 176.600 -0.019 0.000 1.067 203 E CA -0.348 56.072 56.400 0.033 0.000 0.900 203 E CB 0.228 29.919 29.700 -0.015 0.000 1.017 203 E HN 0.663 nan 8.360 nan 0.000 0.431 204 F N 1.695 121.740 119.950 0.158 0.000 2.438 204 F HA 0.295 4.822 4.527 0.000 0.000 0.315 204 F C 0.642 176.552 175.800 0.184 0.000 1.258 204 F CA -0.669 57.451 58.000 0.199 0.000 1.180 204 F CB 1.015 40.172 39.000 0.262 0.000 1.412 204 F HN 0.632 nan 8.300 nan 0.000 0.544 205 A N 2.140 125.111 122.820 0.251 0.000 2.900 205 A HA 0.207 4.527 4.320 -0.000 0.000 0.246 205 A C 1.336 179.033 177.584 0.187 0.000 1.725 205 A CA 0.522 52.682 52.037 0.204 0.000 1.400 205 A CB -0.512 18.559 19.000 0.117 0.000 0.973 205 A HN 0.710 nan 8.150 nan 0.000 0.635 206 K N -0.296 120.248 120.400 0.239 0.000 2.564 206 K HA 0.190 4.510 4.320 -0.000 0.000 0.177 206 K C -0.305 176.378 176.600 0.137 0.000 1.518 206 K CA 0.021 56.414 56.287 0.178 0.000 1.076 206 K CB 0.111 32.729 32.500 0.197 0.000 1.335 206 K HN 0.644 nan 8.250 nan 0.000 0.571 207 I N -2.323 118.332 120.570 0.141 0.000 3.023 207 I HA 0.555 4.725 4.170 -0.000 0.000 0.312 207 I C -0.242 175.863 176.117 -0.020 0.000 1.056 207 I CA -1.073 60.219 61.300 -0.014 0.000 1.033 207 I CB 2.043 39.964 38.000 -0.132 0.000 1.233 207 I HN -0.187 nan 8.210 nan 0.000 0.462 208 S N 2.456 118.088 115.700 -0.114 0.000 2.474 208 S HA 0.460 4.930 4.470 -0.000 0.000 0.321 208 S C -1.744 172.675 174.600 -0.302 0.000 1.080 208 S CA -1.540 56.560 58.200 -0.166 0.000 1.106 208 S CB 1.088 64.234 63.200 -0.090 0.000 0.984 208 S HN 0.497 nan 8.310 nan 0.000 0.464 209 P HA -0.227 nan 4.420 nan 0.000 0.219 209 P C 1.276 178.403 177.300 -0.289 0.000 1.158 209 P CA 1.401 64.085 63.100 -0.694 0.000 0.895 209 P CB 0.146 31.497 31.700 -0.583 0.000 0.792 210 K N -0.367 119.922 120.400 -0.185 0.000 2.034 210 K HA -0.191 4.128 4.320 -0.000 0.000 0.214 210 K C 1.709 178.255 176.600 -0.091 0.000 1.051 210 K CA 1.563 57.793 56.287 -0.095 0.000 0.931 210 K CB -1.579 30.885 32.500 -0.060 0.000 0.715 210 K HN 0.235 nan 8.250 nan 0.000 0.446 211 D N 0.640 120.969 120.400 -0.119 0.000 2.271 211 D HA -0.153 4.487 4.640 -0.000 0.000 0.207 211 D C 1.925 178.160 176.300 -0.108 0.000 0.983 211 D CA 0.566 54.472 54.000 -0.156 0.000 0.878 211 D CB -0.072 40.610 40.800 -0.197 0.000 0.920 211 D HN 0.041 nan 8.370 nan 0.000 0.479 212 L N 0.906 122.079 121.223 -0.082 0.000 2.023 212 L HA -0.094 4.246 4.340 -0.000 0.000 0.205 212 L C 2.239 179.176 176.870 0.111 0.000 1.073 212 L CA 1.591 56.416 54.840 -0.025 0.000 0.745 212 L CB -0.398 41.600 42.059 -0.101 0.000 0.900 212 L HN -0.138 nan 8.230 nan 0.000 0.435 213 E N -1.129 119.133 120.200 0.104 0.000 2.086 213 E HA -0.345 4.005 4.350 -0.000 0.000 0.205 213 E C 2.135 178.789 176.600 0.090 0.000 1.027 213 E CA 2.497 58.990 56.400 0.155 0.000 0.830 213 E CB -0.333 29.409 29.700 0.071 0.000 0.751 213 E HN 0.617 nan 8.360 nan 0.000 0.456 214 T N -0.284 114.282 114.554 0.019 0.000 2.684 214 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 214 T C 1.936 176.644 174.700 0.014 0.000 1.036 214 T CA 1.776 63.871 62.100 -0.009 0.000 1.148 214 T CB -0.409 68.421 68.868 -0.063 0.000 0.863 214 T HN 0.250 nan 8.240 nan 0.000 0.436 215 I N 1.602 122.190 120.570 0.030 0.000 2.248 215 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 215 I C 3.122 179.296 176.117 0.094 0.000 1.107 215 I CA 1.459 62.794 61.300 0.058 0.000 1.373 215 I CB -0.870 37.175 38.000 0.074 0.000 1.055 215 I HN 0.424 nan 8.210 nan 0.000 0.418 216 A N 1.593 124.506 122.820 0.154 0.000 1.933 216 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 216 A C 2.302 179.883 177.584 -0.006 0.000 1.175 216 A CA 1.723 53.805 52.037 0.074 0.000 0.628 216 A CB -0.571 18.413 19.000 -0.027 0.000 0.814 216 A HN 0.575 nan 8.150 nan 0.000 0.444 217 R N -1.482 119.020 120.500 0.004 0.000 2.310 217 R HA 0.164 4.504 4.340 -0.000 0.000 0.202 217 R C 0.587 176.881 176.300 -0.009 0.000 0.933 217 R CA 0.960 57.050 56.100 -0.015 0.000 1.054 217 R CB -0.128 30.163 30.300 -0.014 0.000 0.985 217 R HN 0.316 nan 8.270 nan 0.000 0.489 218 N N -0.468 118.233 118.700 0.002 0.000 2.445 218 N HA 0.112 4.852 4.740 -0.000 0.000 0.204 218 N C -0.767 174.747 175.510 0.005 0.000 1.098 218 N CA 0.110 53.161 53.050 0.002 0.000 0.859 218 N CB 0.749 39.240 38.487 0.006 0.000 1.249 218 N HN 0.091 nan 8.380 nan 0.000 0.462 219 C N 2.604 121.912 119.300 0.013 0.000 2.203 219 C HA 0.413 4.873 4.460 -0.000 0.000 0.325 219 C C 1.481 176.474 174.990 0.005 0.000 1.156 219 C CA -0.740 58.288 59.018 0.016 0.000 1.597 219 C CB 0.208 27.969 27.740 0.035 0.000 2.148 219 C HN 0.211 nan 8.230 nan 0.000 0.472 220 R N 1.193 121.692 120.500 -0.002 0.000 2.115 220 R HA -0.003 4.337 4.340 -0.000 0.000 0.226 220 R C 1.644 177.938 176.300 -0.009 0.000 1.100 220 R CA 0.794 56.888 56.100 -0.010 0.000 0.980 220 R CB -0.481 29.812 30.300 -0.011 0.000 0.875 220 R HN 0.566 nan 8.270 nan 0.000 0.445 221 S N 0.919 116.617 115.700 -0.003 0.000 2.679 221 S HA 0.138 4.608 4.470 -0.000 0.000 0.233 221 S C 0.230 174.832 174.600 0.003 0.000 0.951 221 S CA -0.433 57.766 58.200 -0.002 0.000 0.973 221 S CB -0.121 63.077 63.200 -0.003 0.000 0.778 221 S HN 0.036 nan 8.310 nan 0.000 0.477 222 L N 3.217 124.446 121.223 0.009 0.000 2.433 222 L HA 0.183 4.523 4.340 -0.000 0.000 0.284 222 L C 0.850 177.732 176.870 0.019 0.000 1.120 222 L CA 0.205 55.059 54.840 0.024 0.000 0.879 222 L CB 0.336 42.421 42.059 0.043 0.000 1.232 222 L HN 0.154 nan 8.230 nan 0.000 0.454 223 V N 0.837 120.762 119.914 0.018 0.000 3.621 223 V HA 0.364 4.484 4.120 -0.000 0.000 0.263 223 V C 0.686 176.797 176.094 0.028 0.000 1.272 223 V CA 0.499 62.808 62.300 0.015 0.000 1.080 223 V CB -0.170 31.655 31.823 0.003 0.000 0.816 223 V HN 0.726 nan 8.190 nan 0.000 0.451 224 S N 1.094 116.813 115.700 0.031 0.000 2.614 224 S HA 0.690 5.160 4.470 -0.000 0.000 0.275 224 S C -1.129 173.485 174.600 0.023 0.000 1.161 224 S CA 0.031 58.245 58.200 0.024 0.000 0.969 224 S CB 1.769 64.956 63.200 -0.023 0.000 1.059 224 S HN 1.463 nan 8.310 nan 0.000 0.482 225 V N 2.276 122.215 119.914 0.041 0.000 2.668 225 V HA 0.753 4.873 4.120 -0.000 0.000 0.304 225 V C -1.187 174.757 176.094 -0.249 0.000 1.071 225 V CA -0.771 61.503 62.300 -0.043 0.000 0.894 225 V CB 1.413 33.282 31.823 0.077 0.000 1.008 225 V HN 0.893 nan 8.190 nan 0.000 0.425 226 K N 3.425 123.586 120.400 -0.398 0.000 2.208 226 K HA 0.935 5.255 4.320 -0.000 0.000 0.247 226 K C -1.239 174.963 176.600 -0.663 0.000 0.953 226 K CA -0.872 55.081 56.287 -0.556 0.000 0.837 226 K CB 2.609 34.798 32.500 -0.518 0.000 1.131 226 K HN 0.675 nan 8.250 nan 0.000 0.431 227 V N 0.413 119.952 119.914 -0.626 0.000 3.258 227 V HA 0.392 4.512 4.120 -0.000 0.000 0.299 227 V C 0.422 176.270 176.094 -0.409 0.000 1.376 227 V CA -0.301 61.479 62.300 -0.866 0.000 1.063 227 V CB 1.966 33.252 31.823 -0.896 0.000 1.103 227 V HN 0.920 nan 8.190 nan 0.000 0.451 228 G N 0.547 109.191 108.800 -0.261 0.000 2.620 228 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.180 228 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.180 228 G C 0.289 175.143 174.900 -0.076 0.000 1.545 228 G CA 1.286 46.361 45.100 -0.043 0.000 0.866 228 G HN 0.712 nan 8.290 nan 0.000 0.432 229 D N -0.304 120.084 120.400 -0.021 0.000 2.535 229 D HA 0.222 4.862 4.640 -0.000 0.000 0.229 229 D C -0.078 176.415 176.300 0.321 0.000 1.238 229 D CA -0.432 53.674 54.000 0.178 0.000 0.824 229 D CB -0.008 40.923 40.800 0.217 0.000 1.045 229 D HN 0.231 nan 8.370 nan 0.000 0.500 230 F N 1.650 121.728 119.950 0.213 0.000 2.602 230 F HA -0.025 4.502 4.527 -0.000 0.000 0.385 230 F C 1.554 177.491 175.800 0.229 0.000 1.063 230 F CA -0.218 57.900 58.000 0.197 0.000 1.233 230 F CB 0.629 39.736 39.000 0.178 0.000 1.067 230 F HN -0.283 nan 8.300 nan 0.000 0.564 231 E N 4.700 125.133 120.200 0.390 0.000 2.406 231 E HA -0.067 4.283 4.350 -0.000 0.000 0.258 231 E C 1.328 178.147 176.600 0.365 0.000 1.043 231 E CA -0.036 56.562 56.400 0.331 0.000 0.929 231 E CB 0.480 30.325 29.700 0.242 0.000 0.969 231 E HN 0.518 nan 8.360 nan 0.000 0.462 232 I N 4.698 125.519 120.570 0.419 0.000 2.141 232 I HA -0.421 3.749 4.170 -0.000 0.000 0.243 232 I C 2.109 178.435 176.117 0.349 0.000 1.035 232 I CA 1.448 63.011 61.300 0.439 0.000 1.302 232 I CB -0.907 37.347 38.000 0.425 0.000 1.006 232 I HN 0.600 nan 8.210 nan 0.000 0.413 233 L N 0.209 121.595 121.223 0.273 0.000 2.129 233 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 233 L C 2.345 179.291 176.870 0.127 0.000 1.087 233 L CA 1.400 56.322 54.840 0.136 0.000 0.757 233 L CB -0.779 41.303 42.059 0.039 0.000 0.896 233 L HN 0.317 nan 8.230 nan 0.000 0.434 234 E N 0.062 120.347 120.200 0.141 0.000 2.268 234 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 234 E C 2.191 178.854 176.600 0.104 0.000 0.995 234 E CA 0.755 57.198 56.400 0.073 0.000 0.836 234 E CB -0.036 29.668 29.700 0.006 0.000 0.763 234 E HN 0.553 nan 8.360 nan 0.000 0.491 235 L N 0.054 121.421 121.223 0.240 0.000 2.375 235 L HA -0.058 4.282 4.340 -0.000 0.000 0.215 235 L C 2.219 179.354 176.870 0.443 0.000 1.108 235 L CA 0.048 55.102 54.840 0.356 0.000 0.830 235 L CB -0.094 42.275 42.059 0.517 0.000 0.959 235 L HN 0.022 nan 8.230 nan 0.000 0.457 236 V N 0.487 120.597 119.914 0.326 0.000 2.277 236 V HA -0.307 3.813 4.120 -0.000 0.000 0.253 236 V C 2.628 178.819 176.094 0.162 0.000 1.067 236 V CA 2.115 64.546 62.300 0.219 0.000 1.047 236 V CB -1.907 29.943 31.823 0.045 0.000 0.649 236 V HN 0.554 nan 8.190 nan 0.000 0.447 237 G N 0.090 108.961 108.800 0.120 0.000 2.721 237 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.218 237 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.218 237 G C 1.445 176.401 174.900 0.094 0.000 1.265 237 G CA 1.467 46.615 45.100 0.080 0.000 0.796 237 G HN 0.553 nan 8.290 nan 0.000 0.620 238 F N 0.881 120.829 119.950 -0.003 0.000 2.106 238 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 238 F C 2.325 178.067 175.800 -0.095 0.000 1.082 238 F CA 2.187 60.150 58.000 -0.063 0.000 1.244 238 F CB -0.469 38.468 39.000 -0.105 0.000 0.997 238 F HN 0.135 nan 8.300 nan 0.000 0.486 239 F N 0.826 120.571 119.950 -0.341 0.000 2.060 239 F HA -0.157 4.370 4.527 0.000 0.000 0.295 239 F C 2.467 178.051 175.800 -0.360 0.000 1.120 239 F CA 1.958 59.680 58.000 -0.464 0.000 1.205 239 F CB -0.663 38.197 39.000 -0.234 0.000 0.986 239 F HN -0.180 nan 8.300 nan 0.000 0.470 240 K N 0.037 120.425 120.400 -0.021 0.000 2.089 240 K HA -0.240 4.080 4.320 -0.000 0.000 0.210 240 K C 2.009 178.540 176.600 -0.115 0.000 1.048 240 K CA 1.501 57.745 56.287 -0.071 0.000 0.926 240 K CB -0.573 31.898 32.500 -0.048 0.000 0.714 240 K HN 0.284 nan 8.250 nan 0.000 0.448 241 A N 0.658 123.384 122.820 -0.158 0.000 2.206 241 A HA 0.150 4.470 4.320 -0.000 0.000 0.211 241 A C 1.363 178.825 177.584 -0.204 0.000 1.158 241 A CA 0.824 52.772 52.037 -0.148 0.000 0.761 241 A CB 0.042 18.982 19.000 -0.099 0.000 0.801 241 A HN 0.253 nan 8.150 nan 0.000 0.473 242 A N -0.337 122.290 122.820 -0.321 0.000 3.290 242 A HA 0.646 4.966 4.320 -0.000 0.000 0.297 242 A C 1.501 178.979 177.584 -0.176 0.000 1.285 242 A CA 0.498 52.344 52.037 -0.318 0.000 1.060 242 A CB -0.782 17.844 19.000 -0.624 0.000 1.114 242 A HN 0.792 nan 8.150 nan 0.000 0.601 243 A N 1.222 123.973 122.820 -0.114 0.000 1.915 243 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 243 A C 1.697 179.249 177.584 -0.053 0.000 1.198 243 A CA 2.272 54.265 52.037 -0.074 0.000 0.647 243 A CB -0.442 18.524 19.000 -0.056 0.000 0.825 243 A HN 0.580 nan 8.150 nan 0.000 0.456 244 N N -0.849 117.823 118.700 -0.046 0.000 2.461 244 N HA 0.102 4.842 4.740 -0.000 0.000 0.188 244 N C 0.033 175.536 175.510 -0.012 0.000 1.134 244 N CA -0.078 52.958 53.050 -0.024 0.000 0.878 244 N CB -0.517 37.958 38.487 -0.019 0.000 0.972 244 N HN 0.407 nan 8.380 nan 0.000 0.456 245 L N 1.499 122.709 121.223 -0.021 0.000 2.601 245 L HA -0.075 4.265 4.340 -0.000 0.000 0.277 245 L C 1.108 178.004 176.870 0.043 0.000 1.219 245 L CA 0.838 55.684 54.840 0.011 0.000 0.915 245 L CB 0.433 42.487 42.059 -0.009 0.000 1.160 245 L HN 0.192 nan 8.230 nan 0.000 0.494 246 E N 2.428 122.658 120.200 0.050 0.000 2.399 246 E HA 0.100 4.450 4.350 -0.000 0.000 0.205 246 E C -0.155 176.487 176.600 0.070 0.000 0.906 246 E CA 0.055 56.487 56.400 0.054 0.000 0.998 246 E CB 0.654 30.370 29.700 0.027 0.000 1.002 246 E HN 0.649 nan 8.360 nan 0.000 0.501 247 E N 0.618 120.866 120.200 0.079 0.000 2.275 247 E HA 0.400 4.750 4.350 -0.000 0.000 0.270 247 E C -1.797 174.893 176.600 0.151 0.000 0.882 247 E CA -0.665 55.777 56.400 0.069 0.000 0.758 247 E CB 1.486 31.176 29.700 -0.017 0.000 1.195 247 E HN -0.025 nan 8.360 nan 0.000 0.419 248 F N 4.477 124.415 119.950 -0.020 0.000 2.588 248 F HA 0.628 5.155 4.527 -0.000 0.000 0.314 248 F C -1.869 173.892 175.800 -0.065 0.000 1.134 248 F CA -0.429 57.566 58.000 -0.008 0.000 0.961 248 F CB 1.243 40.325 39.000 0.136 0.000 1.239 248 F HN 0.627 nan 8.300 nan 0.000 0.448 249 C N 3.928 122.617 119.300 -1.018 0.000 2.888 249 C HA 1.013 5.473 4.460 -0.000 0.000 0.308 249 C C 0.414 174.940 174.990 -0.774 0.000 1.213 249 C CA -0.068 58.484 59.018 -0.776 0.000 1.461 249 C CB 0.820 28.111 27.740 -0.749 0.000 1.934 249 C HN 1.481 nan 8.230 nan 0.000 0.474 250 G N 1.077 109.701 108.800 -0.292 0.000 2.416 250 G HA2 0.504 4.464 3.960 -0.000 0.000 0.203 250 G HA3 0.504 4.464 3.960 -0.000 0.000 0.203 250 G C 0.248 175.143 174.900 -0.009 0.000 1.227 250 G CA 0.440 45.468 45.100 -0.120 0.000 1.041 250 G HN 2.722 nan 8.290 nan 0.000 0.546 251 G N -1.396 107.433 108.800 0.048 0.000 2.498 251 G HA2 0.408 4.368 3.960 -0.000 0.000 0.251 251 G HA3 0.408 4.368 3.960 -0.000 0.000 0.251 251 G C 0.533 175.605 174.900 0.286 0.000 1.170 251 G CA 1.677 46.934 45.100 0.261 0.000 0.944 251 G HN 3.172 nan 8.290 nan 0.000 0.567 252 S N -1.946 113.960 115.700 0.343 0.000 2.639 252 S HA 0.452 4.922 4.470 -0.000 0.000 0.319 252 S C -0.500 174.266 174.600 0.276 0.000 0.991 252 S CA 0.010 58.455 58.200 0.408 0.000 0.858 252 S CB 0.613 64.118 63.200 0.509 0.000 1.068 252 S HN 1.355 nan 8.310 nan 0.000 0.458 253 L N 2.194 123.523 121.223 0.176 0.000 2.955 253 L HA 0.272 4.612 4.340 -0.000 0.000 0.238 253 L C 0.090 177.018 176.870 0.097 0.000 1.359 253 L CA -0.505 54.302 54.840 -0.055 0.000 1.214 253 L CB -0.972 40.935 42.059 -0.252 0.000 1.600 253 L HN 0.608 nan 8.230 nan 0.000 0.442 254 N N 3.119 121.932 118.700 0.189 0.000 2.383 254 N HA 0.006 4.746 4.740 -0.000 0.000 0.295 254 N C 0.149 175.794 175.510 0.224 0.000 1.281 254 N CA 0.381 53.520 53.050 0.148 0.000 1.048 254 N CB 0.043 38.598 38.487 0.114 0.000 1.455 254 N HN 0.476 nan 8.380 nan 0.000 0.488 255 E N -0.294 120.030 120.200 0.206 0.000 2.210 255 E HA 0.340 4.690 4.350 -0.000 0.000 0.266 255 E C -0.926 175.759 176.600 0.140 0.000 0.883 255 E CA -1.095 55.462 56.400 0.261 0.000 0.761 255 E CB 0.862 30.817 29.700 0.427 0.000 1.156 255 E HN 0.266 nan 8.360 nan 0.000 0.412 256 D N 2.586 123.047 120.400 0.102 0.000 2.358 256 D HA 0.067 4.707 4.640 -0.000 0.000 0.244 256 D C 1.197 177.532 176.300 0.058 0.000 1.163 256 D CA -0.531 53.505 54.000 0.060 0.000 0.945 256 D CB 0.697 41.518 40.800 0.035 0.000 1.152 256 D HN 0.635 nan 8.370 nan 0.000 0.451 257 I N -1.615 118.981 120.570 0.042 0.000 2.546 257 I HA 0.088 4.258 4.170 -0.000 0.000 0.255 257 I C 2.005 178.140 176.117 0.030 0.000 1.163 257 I CA 0.880 62.203 61.300 0.039 0.000 1.457 257 I CB -0.633 37.385 38.000 0.030 0.000 1.092 257 I HN 0.471 nan 8.210 nan 0.000 0.434 258 G N 2.060 110.872 108.800 0.020 0.000 2.484 258 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.218 258 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.218 258 G C 1.114 176.016 174.900 0.004 0.000 1.130 258 G CA 0.243 45.349 45.100 0.010 0.000 0.784 258 G HN 0.237 nan 8.290 nan 0.000 0.543 259 M N 0.868 120.468 119.600 0.001 0.000 3.344 259 M HA 0.269 4.749 4.480 -0.000 0.000 0.224 259 M C -2.482 173.817 176.300 -0.001 0.000 1.164 259 M CA -2.828 52.461 55.300 -0.019 0.000 1.135 259 M CB 0.497 33.059 32.600 -0.063 0.000 1.228 259 M HN -0.147 nan 8.290 nan 0.000 0.586 260 P HA -0.014 nan 4.420 nan 0.000 0.288 260 P C 0.164 177.486 177.300 0.037 0.000 1.448 260 P CA 1.021 64.146 63.100 0.043 0.000 0.764 260 P CB -0.060 31.663 31.700 0.038 0.000 1.472 261 E N -2.128 118.077 120.200 0.008 0.000 2.753 261 E HA 0.069 4.419 4.350 -0.000 0.000 0.218 261 E C 1.422 177.990 176.600 -0.054 0.000 0.956 261 E CA -0.233 56.166 56.400 -0.003 0.000 1.244 261 E CB 0.184 29.877 29.700 -0.012 0.000 1.114 261 E HN 0.004 nan 8.360 nan 0.000 0.530 262 K N 0.255 120.583 120.400 -0.121 0.000 1.988 262 K HA -0.183 4.137 4.320 -0.000 0.000 0.221 262 K C 0.618 177.013 176.600 -0.341 0.000 1.053 262 K CA 1.823 57.900 56.287 -0.350 0.000 0.959 262 K CB -0.035 32.056 32.500 -0.682 0.000 0.728 262 K HN 0.187 nan 8.250 nan 0.000 0.447 263 Y N -0.848 119.454 120.300 0.004 0.000 2.524 263 Y HA 0.169 4.719 4.550 -0.000 0.000 0.266 263 Y C 1.271 177.162 175.900 -0.015 0.000 1.180 263 Y CA -0.406 57.687 58.100 -0.012 0.000 1.244 263 Y CB 0.283 38.757 38.460 0.022 0.000 1.125 263 Y HN 0.129 nan 8.280 nan 0.000 0.524 264 M N 0.759 120.422 119.600 0.106 0.000 2.562 264 M HA 0.059 4.539 4.480 -0.000 0.000 0.257 264 M C -0.620 175.688 176.300 0.013 0.000 1.099 264 M CA 0.784 56.127 55.300 0.071 0.000 1.099 264 M CB -0.823 31.817 32.600 0.067 0.000 1.427 264 M HN 0.077 nan 8.290 nan 0.000 0.489 265 N N 0.678 119.364 118.700 -0.023 0.000 3.091 265 N HA 0.322 5.062 4.740 -0.000 0.000 0.255 265 N C -1.195 174.239 175.510 -0.127 0.000 1.204 265 N CA -0.205 52.803 53.050 -0.069 0.000 0.990 265 N CB 0.859 39.307 38.487 -0.065 0.000 1.260 265 N HN 0.152 nan 8.380 nan 0.000 0.502 266 L N 0.940 122.042 121.223 -0.202 0.000 2.250 266 L HA 0.662 5.002 4.340 -0.000 0.000 0.252 266 L C -1.031 175.526 176.870 -0.521 0.000 1.054 266 L CA -1.041 53.550 54.840 -0.413 0.000 0.856 266 L CB 2.266 43.976 42.059 -0.581 0.000 1.443 266 L HN 0.066 nan 8.230 nan 0.000 0.427 267 V N -0.481 118.963 119.914 -0.784 0.000 2.498 267 V HA 0.432 4.552 4.120 -0.000 0.000 0.283 267 V C -0.896 174.749 176.094 -0.748 0.000 1.015 267 V CA -0.623 61.327 62.300 -0.584 0.000 0.867 267 V CB 0.898 32.524 31.823 -0.329 0.000 1.025 267 V HN 0.464 nan 8.190 nan 0.000 0.441 268 F N 4.429 124.143 119.950 -0.393 0.000 2.361 268 F HA 0.511 5.038 4.527 -0.000 0.000 0.364 268 F C -1.655 173.965 175.800 -0.300 0.000 1.120 268 F CA -2.339 55.420 58.000 -0.403 0.000 1.102 268 F CB 1.932 40.610 39.000 -0.536 0.000 1.183 268 F HN 0.341 nan 8.300 nan 0.000 0.476 269 P HA -0.181 nan 4.420 nan 0.000 0.074 269 P C 0.450 177.729 177.300 -0.034 0.000 0.732 269 P CA 0.597 63.697 63.100 0.001 0.000 1.027 269 P CB -0.235 31.490 31.700 0.042 0.000 1.648 270 R N 1.190 121.637 120.500 -0.089 0.000 2.716 270 R HA -0.324 4.016 4.340 -0.000 0.000 0.298 270 R C 1.532 177.816 176.300 -0.027 0.000 0.805 270 R CA 2.382 58.435 56.100 -0.078 0.000 0.207 270 R CB -1.823 28.448 30.300 -0.047 0.000 0.581 270 R HN 0.328 nan 8.270 nan 0.000 0.227 271 K N 1.369 121.770 120.400 0.002 0.000 2.520 271 K HA 0.022 4.342 4.320 -0.000 0.000 0.197 271 K C 0.961 177.600 176.600 0.064 0.000 1.044 271 K CA 0.200 56.506 56.287 0.031 0.000 0.938 271 K CB -0.205 32.306 32.500 0.017 0.000 0.767 271 K HN 0.136 nan 8.250 nan 0.000 0.481 272 L N 0.481 121.750 121.223 0.078 0.000 2.490 272 L HA -0.071 4.269 4.340 -0.000 0.000 0.274 272 L C 0.779 177.773 176.870 0.208 0.000 1.201 272 L CA 0.844 55.765 54.840 0.135 0.000 0.869 272 L CB 0.752 42.905 42.059 0.156 0.000 1.123 272 L HN 0.505 nan 8.230 nan 0.000 0.484 273 C N 3.044 122.431 119.300 0.145 0.000 5.104 273 C HA 0.333 4.793 4.460 -0.000 0.000 0.453 273 C C 0.524 175.527 174.990 0.022 0.000 1.444 273 C CA -0.642 58.431 59.018 0.092 0.000 2.266 273 C CB 0.128 27.910 27.740 0.070 0.000 3.033 273 C HN 0.829 nan 8.230 nan 0.000 0.539 274 R N 1.691 122.201 120.500 0.017 0.000 2.288 274 R HA 0.767 5.107 4.340 -0.000 0.000 0.326 274 R C -1.115 175.169 176.300 -0.026 0.000 0.959 274 R CA -0.032 56.050 56.100 -0.028 0.000 0.834 274 R CB 1.545 31.818 30.300 -0.045 0.000 1.157 274 R HN 0.674 nan 8.270 nan 0.000 0.470 275 L N -1.125 120.062 121.223 -0.061 0.000 2.506 275 L HA 0.904 5.244 4.340 -0.000 0.000 0.257 275 L C -0.851 175.954 176.870 -0.109 0.000 0.964 275 L CA -0.620 54.192 54.840 -0.047 0.000 0.836 275 L CB 2.395 44.454 42.059 0.000 0.000 1.384 275 L HN 0.464 nan 8.230 nan 0.000 0.410 276 G N 2.624 111.353 108.800 -0.120 0.000 2.753 276 G HA2 0.549 4.509 3.960 -0.000 0.000 0.282 276 G HA3 0.549 4.509 3.960 -0.000 0.000 0.282 276 G C -1.152 173.713 174.900 -0.059 0.000 1.512 276 G CA -0.513 44.512 45.100 -0.124 0.000 1.076 276 G HN 0.677 nan 8.290 nan 0.000 0.545 277 L N 3.476 124.683 121.223 -0.027 0.000 2.356 277 L HA 0.152 4.492 4.340 -0.000 0.000 0.282 277 L C 1.565 178.435 176.870 0.000 0.000 1.132 277 L CA -0.375 54.498 54.840 0.056 0.000 0.923 277 L CB 0.498 42.583 42.059 0.044 0.000 1.278 277 L HN 0.587 nan 8.230 nan 0.000 0.436 278 S N 2.044 117.735 115.700 -0.016 0.000 3.374 278 S HA -0.291 4.179 4.470 -0.000 0.000 0.533 278 S C 1.190 175.684 174.600 -0.176 0.000 0.955 278 S CA 1.592 59.688 58.200 -0.174 0.000 3.336 278 S CB -0.341 62.689 63.200 -0.282 0.000 2.303 278 S HN 0.580 nan 8.310 nan 0.000 0.328 279 Y N 1.692 122.033 120.300 0.069 0.000 2.797 279 Y HA 0.039 4.589 4.550 -0.000 0.000 0.307 279 Y C 1.219 177.123 175.900 0.005 0.000 1.168 279 Y CA 0.098 58.224 58.100 0.044 0.000 1.388 279 Y CB -1.087 37.397 38.460 0.041 0.000 0.985 279 Y HN 0.352 nan 8.280 nan 0.000 0.545 280 M N 1.272 120.898 119.600 0.044 0.000 2.290 280 M HA -0.095 4.385 4.480 -0.000 0.000 0.459 280 M C 0.754 177.041 176.300 -0.021 0.000 1.487 280 M CA 0.880 56.166 55.300 -0.025 0.000 0.793 280 M CB -0.008 32.547 32.600 -0.076 0.000 2.031 280 M HN 0.350 nan 8.290 nan 0.000 0.525 281 G N 5.196 113.985 108.800 -0.018 0.000 2.642 281 G HA2 0.585 4.545 3.960 -0.000 0.000 0.291 281 G HA3 0.585 4.545 3.960 -0.000 0.000 0.291 281 G C -2.501 172.384 174.900 -0.025 0.000 1.345 281 G CA -1.013 44.084 45.100 -0.005 0.000 1.043 281 G HN 0.544 nan 8.290 nan 0.000 0.528 282 P HA -0.054 nan 4.420 nan 0.000 0.215 282 P C 1.498 178.810 177.300 0.020 0.000 1.157 282 P CA 0.719 63.820 63.100 0.003 0.000 0.856 282 P CB 0.206 31.920 31.700 0.023 0.000 0.786 283 N N 0.799 119.520 118.700 0.035 0.000 2.000 283 N HA -0.167 4.573 4.740 -0.000 0.000 0.198 283 N C 1.478 177.018 175.510 0.049 0.000 1.057 283 N CA 1.501 54.585 53.050 0.056 0.000 0.858 283 N CB -1.083 37.447 38.487 0.072 0.000 1.057 283 N HN 0.334 nan 8.380 nan 0.000 0.423 284 E N 1.794 122.011 120.200 0.029 0.000 2.510 284 E HA -0.181 4.169 4.350 -0.000 0.000 0.202 284 E C 1.792 178.359 176.600 -0.055 0.000 1.072 284 E CA 0.307 56.709 56.400 0.003 0.000 0.883 284 E CB -0.745 28.887 29.700 -0.114 0.000 0.818 284 E HN 0.611 nan 8.360 nan 0.000 0.548 285 M N 1.114 120.664 119.600 -0.084 0.000 2.117 285 M HA -0.038 4.442 4.480 -0.000 0.000 0.262 285 M C -0.894 175.167 176.300 -0.399 0.000 1.065 285 M CA 1.478 56.655 55.300 -0.205 0.000 1.114 285 M CB -1.129 31.364 32.600 -0.179 0.000 1.361 285 M HN -0.106 nan 8.290 nan 0.000 0.408 286 P HA -0.219 nan 4.420 nan 0.000 0.218 286 P C 1.646 178.804 177.300 -0.237 0.000 1.152 286 P CA 1.998 64.936 63.100 -0.269 0.000 0.857 286 P CB -0.933 30.926 31.700 0.266 0.000 0.787 287 I N -4.457 116.082 120.570 -0.052 0.000 3.018 287 I HA -0.198 3.972 4.170 -0.000 0.000 0.277 287 I C 1.276 177.510 176.117 0.195 0.000 1.293 287 I CA 1.546 62.922 61.300 0.128 0.000 1.427 287 I CB -0.771 37.364 38.000 0.223 0.000 1.091 287 I HN -0.013 nan 8.210 nan 0.000 0.500 288 L N -0.868 120.241 121.223 -0.191 0.000 2.500 288 L HA 0.163 4.503 4.340 -0.000 0.000 0.219 288 L C 2.080 178.731 176.870 -0.365 0.000 1.057 288 L CA 0.304 54.919 54.840 -0.373 0.000 0.854 288 L CB -0.328 41.364 42.059 -0.612 0.000 1.078 288 L HN 0.000 nan 8.230 nan 0.000 0.480 289 F N 0.829 120.753 119.950 -0.043 0.000 2.045 289 F HA -0.221 4.306 4.527 0.000 0.000 0.297 289 F C -0.170 175.670 175.800 0.068 0.000 1.114 289 F CA 1.462 59.445 58.000 -0.027 0.000 1.207 289 F CB -2.658 36.343 39.000 0.002 0.000 0.964 289 F HN 0.075 nan 8.300 nan 0.000 0.486 290 P HA -0.258 nan 4.420 nan 0.000 0.222 290 P C 0.956 178.522 177.300 0.443 0.000 1.154 290 P CA 2.252 65.579 63.100 0.379 0.000 0.874 290 P CB -0.450 31.489 31.700 0.398 0.000 0.787 291 F N -6.544 113.444 119.950 0.062 0.000 2.815 291 F HA 0.713 5.240 4.527 0.000 0.000 0.323 291 F C 1.497 177.310 175.800 0.022 0.000 1.151 291 F CA -0.352 57.670 58.000 0.037 0.000 1.191 291 F CB -0.586 38.430 39.000 0.028 0.000 1.069 291 F HN -0.256 nan 8.300 nan 0.000 0.514 292 A N 1.248 123.931 122.820 -0.229 0.000 2.024 292 A HA -0.003 4.317 4.320 -0.000 0.000 0.220 292 A C 2.264 179.778 177.584 -0.116 0.000 1.164 292 A CA 1.727 53.606 52.037 -0.263 0.000 0.643 292 A CB -0.851 18.083 19.000 -0.109 0.000 0.806 292 A HN 0.613 nan 8.150 nan 0.000 0.451 293 A N -1.453 121.352 122.820 -0.026 0.000 2.239 293 A HA -0.013 4.307 4.320 -0.000 0.000 0.209 293 A C 1.912 179.503 177.584 0.012 0.000 1.171 293 A CA 1.316 53.355 52.037 0.003 0.000 0.768 293 A CB -0.318 18.699 19.000 0.029 0.000 0.790 293 A HN 0.673 nan 8.150 nan 0.000 0.478 294 Q N -0.631 119.176 119.800 0.012 0.000 2.373 294 Q HA 0.144 4.484 4.340 -0.000 0.000 0.210 294 Q C -0.126 175.876 176.000 0.003 0.000 0.913 294 Q CA -0.214 55.617 55.803 0.047 0.000 0.911 294 Q CB 0.190 29.018 28.738 0.151 0.000 1.040 294 Q HN 0.461 nan 8.270 nan 0.000 0.521 295 I N 2.384 122.908 120.570 -0.077 0.000 2.845 295 I HA -0.172 3.998 4.170 -0.000 0.000 0.290 295 I C 1.256 177.341 176.117 -0.053 0.000 1.202 295 I CA 1.162 62.401 61.300 -0.101 0.000 1.406 295 I CB 0.205 38.097 38.000 -0.180 0.000 1.383 295 I HN 0.322 nan 8.210 nan 0.000 0.549 296 R N 5.674 126.152 120.500 -0.036 0.000 2.279 296 R HA 0.143 4.483 4.340 -0.000 0.000 0.195 296 R C 0.372 176.650 176.300 -0.037 0.000 0.905 296 R CA 0.286 56.370 56.100 -0.026 0.000 1.044 296 R CB 0.681 30.973 30.300 -0.014 0.000 1.056 296 R HN 0.656 nan 8.270 nan 0.000 0.535 297 K N 0.820 121.188 120.400 -0.053 0.000 2.535 297 K HA 0.269 4.589 4.320 -0.000 0.000 0.251 297 K C -2.094 174.455 176.600 -0.086 0.000 0.942 297 K CA -0.604 55.643 56.287 -0.066 0.000 0.798 297 K CB 1.720 34.175 32.500 -0.075 0.000 1.267 297 K HN 0.031 nan 8.250 nan 0.000 0.434 298 L N 3.930 125.101 121.223 -0.086 0.000 2.441 298 L HA 0.368 4.708 4.340 -0.000 0.000 0.270 298 L C -1.509 175.300 176.870 -0.102 0.000 0.973 298 L CA -0.531 54.248 54.840 -0.101 0.000 0.842 298 L CB 1.760 43.762 42.059 -0.094 0.000 1.239 298 L HN 0.795 nan 8.230 nan 0.000 0.406 299 D N 5.803 126.124 120.400 -0.132 0.000 2.505 299 D HA 0.210 4.850 4.640 -0.000 0.000 0.242 299 D C 0.408 176.612 176.300 -0.159 0.000 1.136 299 D CA -0.169 53.739 54.000 -0.153 0.000 0.954 299 D CB 0.680 41.356 40.800 -0.206 0.000 1.002 299 D HN 0.526 nan 8.370 nan 0.000 0.512 300 L N 3.493 124.648 121.223 -0.113 0.000 2.688 300 L HA 0.039 4.379 4.340 -0.000 0.000 0.234 300 L C 1.834 178.653 176.870 -0.086 0.000 1.192 300 L CA -0.400 54.386 54.840 -0.090 0.000 0.984 300 L CB 0.185 42.233 42.059 -0.018 0.000 1.232 300 L HN 0.334 nan 8.230 nan 0.000 0.465 301 L N 0.059 121.155 121.223 -0.211 0.000 1.955 301 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 301 L C 1.796 178.616 176.870 -0.083 0.000 1.072 301 L CA 2.311 57.000 54.840 -0.251 0.000 0.755 301 L CB -0.853 40.837 42.059 -0.615 0.000 0.888 301 L HN 0.363 nan 8.230 nan 0.000 0.432 302 Y N -0.724 119.522 120.300 -0.089 0.000 2.470 302 Y HA 0.399 4.949 4.550 -0.000 0.000 0.284 302 Y C 1.307 177.112 175.900 -0.160 0.000 1.188 302 Y CA -0.548 57.457 58.100 -0.159 0.000 1.269 302 Y CB -0.410 37.863 38.460 -0.312 0.000 1.094 302 Y HN 0.158 nan 8.280 nan 0.000 0.518 303 A N 1.095 123.904 122.820 -0.019 0.000 2.429 303 A HA 0.097 4.417 4.320 -0.000 0.000 0.242 303 A C 0.964 178.565 177.584 0.028 0.000 1.088 303 A CA 0.040 52.059 52.037 -0.031 0.000 0.784 303 A CB 0.472 19.416 19.000 -0.094 0.000 1.038 303 A HN 0.435 nan 8.150 nan 0.000 0.501 304 L N 0.086 121.322 121.223 0.022 0.000 2.609 304 L HA 0.229 4.569 4.340 -0.000 0.000 0.230 304 L C 0.963 177.852 176.870 0.031 0.000 1.064 304 L CA 0.656 55.533 54.840 0.061 0.000 0.873 304 L CB -0.972 41.141 42.059 0.091 0.000 1.139 304 L HN 0.806 nan 8.230 nan 0.000 0.490 305 L N 0.093 121.293 121.223 -0.039 0.000 2.517 305 L HA 0.040 4.380 4.340 -0.000 0.000 0.294 305 L C 0.661 177.539 176.870 0.014 0.000 1.264 305 L CA -0.067 54.738 54.840 -0.058 0.000 0.839 305 L CB -0.085 41.880 42.059 -0.157 0.000 1.098 305 L HN -0.007 nan 8.230 nan 0.000 0.525 306 E N 0.548 120.782 120.200 0.057 0.000 2.385 306 E HA 0.082 4.432 4.350 -0.000 0.000 0.254 306 E C 0.983 177.732 176.600 0.249 0.000 1.228 306 E CA 0.410 56.885 56.400 0.125 0.000 0.956 306 E CB 1.250 30.997 29.700 0.078 0.000 1.116 306 E HN 0.746 nan 8.360 nan 0.000 0.507 307 T N -0.970 113.698 114.554 0.190 0.000 2.851 307 T HA -0.118 4.232 4.350 -0.000 0.000 0.262 307 T C 1.510 176.297 174.700 0.144 0.000 1.043 307 T CA 1.707 63.908 62.100 0.168 0.000 1.140 307 T CB -0.258 68.638 68.868 0.048 0.000 0.872 307 T HN 0.544 nan 8.240 nan 0.000 0.446 308 E N 0.203 120.463 120.200 0.099 0.000 2.153 308 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 308 E C 1.451 178.102 176.600 0.084 0.000 0.988 308 E CA 1.571 58.018 56.400 0.078 0.000 0.811 308 E CB -0.198 29.536 29.700 0.056 0.000 0.746 308 E HN 0.560 nan 8.360 nan 0.000 0.466 309 D N -0.039 120.414 120.400 0.090 0.000 2.137 309 D HA -0.120 4.520 4.640 -0.000 0.000 0.202 309 D C 1.892 178.229 176.300 0.061 0.000 0.970 309 D CA 0.674 54.709 54.000 0.058 0.000 0.837 309 D CB -0.559 40.253 40.800 0.020 0.000 0.981 309 D HN 0.347 nan 8.370 nan 0.000 0.475 310 H N 0.395 119.477 119.070 0.019 0.000 2.362 310 H HA -0.153 4.403 4.556 -0.000 0.000 0.294 310 H C 2.285 177.622 175.328 0.016 0.000 1.113 310 H CA 1.556 57.611 56.048 0.012 0.000 1.253 310 H CB -0.088 29.682 29.762 0.013 0.000 1.363 310 H HN 0.267 nan 8.280 nan 0.000 0.494 311 C N -0.107 119.284 119.300 0.151 0.000 2.457 311 C HA -0.048 4.412 4.460 -0.000 0.000 0.278 311 C C 2.446 177.460 174.990 0.041 0.000 1.309 311 C CA 1.130 60.205 59.018 0.094 0.000 1.735 311 C CB -1.130 26.659 27.740 0.082 0.000 1.992 311 C HN 0.618 nan 8.230 nan 0.000 0.493 312 T N -1.020 113.559 114.554 0.042 0.000 3.272 312 T HA 0.238 4.588 4.350 -0.000 0.000 0.250 312 T C 1.102 175.853 174.700 0.085 0.000 1.082 312 T CA 0.269 62.381 62.100 0.019 0.000 0.968 312 T CB -0.134 68.744 68.868 0.017 0.000 1.015 312 T HN 0.536 nan 8.240 nan 0.000 0.563 313 L N 0.161 121.423 121.223 0.066 0.000 2.546 313 L HA 0.222 4.562 4.340 -0.000 0.000 0.182 313 L C 2.208 179.085 176.870 0.011 0.000 1.167 313 L CA 0.169 55.050 54.840 0.069 0.000 0.845 313 L CB -0.039 42.001 42.059 -0.032 0.000 1.134 313 L HN 0.061 nan 8.230 nan 0.000 0.500 314 I N 0.339 120.911 120.570 0.004 0.000 2.141 314 I HA -0.472 3.698 4.170 -0.000 0.000 0.243 314 I C 2.325 178.406 176.117 -0.060 0.000 1.035 314 I CA 2.068 63.371 61.300 0.005 0.000 1.302 314 I CB -1.495 36.542 38.000 0.061 0.000 1.006 314 I HN 0.606 nan 8.210 nan 0.000 0.413 315 Q N 1.035 120.725 119.800 -0.184 0.000 2.458 315 Q HA -0.201 4.139 4.340 -0.000 0.000 0.215 315 Q C 1.322 177.070 176.000 -0.420 0.000 0.989 315 Q CA 1.597 57.038 55.803 -0.604 0.000 0.895 315 Q CB 0.049 28.391 28.738 -0.660 0.000 0.934 315 Q HN 0.540 nan 8.270 nan 0.000 0.475 316 K N -1.472 118.831 120.400 -0.162 0.000 2.413 316 K HA 0.197 4.517 4.320 -0.000 0.000 0.204 316 K C -0.697 175.885 176.600 -0.031 0.000 1.041 316 K CA -0.154 56.091 56.287 -0.070 0.000 1.082 316 K CB 1.202 33.725 32.500 0.039 0.000 0.871 316 K HN 0.110 nan 8.250 nan 0.000 0.535 317 C N 1.736 121.016 119.300 -0.033 0.000 3.335 317 C HA 0.279 4.739 4.460 -0.000 0.000 0.217 317 C C -1.442 173.556 174.990 0.013 0.000 1.330 317 C CA -1.837 57.166 59.018 -0.025 0.000 1.470 317 C CB 0.046 27.755 27.740 -0.052 0.000 1.806 317 C HN 0.193 nan 8.230 nan 0.000 0.468 318 P HA -0.218 nan 4.420 nan 0.000 0.216 318 P C 0.816 178.140 177.300 0.040 0.000 1.167 318 P CA 1.746 64.882 63.100 0.061 0.000 0.914 318 P CB 0.041 31.774 31.700 0.056 0.000 0.793 319 N N -0.237 118.476 118.700 0.022 0.000 2.485 319 N HA 0.011 4.751 4.740 -0.000 0.000 0.199 319 N C 0.439 175.954 175.510 0.009 0.000 1.236 319 N CA -0.159 52.901 53.050 0.017 0.000 0.852 319 N CB -0.245 38.250 38.487 0.014 0.000 1.018 319 N HN 0.111 nan 8.380 nan 0.000 0.457 320 L N 2.271 123.499 121.223 0.009 0.000 2.584 320 L HA -0.069 4.271 4.340 -0.000 0.000 0.272 320 L C 1.393 178.269 176.870 0.010 0.000 1.195 320 L CA 0.804 55.645 54.840 0.002 0.000 0.920 320 L CB 0.241 42.304 42.059 0.008 0.000 1.173 320 L HN 0.301 nan 8.230 nan 0.000 0.489 321 E N 3.138 123.338 120.200 0.000 0.000 2.536 321 E HA 0.212 4.562 4.350 -0.000 0.000 0.220 321 E C -0.545 176.055 176.600 0.000 0.000 0.876 321 E CA -0.153 56.251 56.400 0.006 0.000 1.190 321 E CB 0.591 30.293 29.700 0.004 0.000 1.191 321 E HN 0.342 nan 8.360 nan 0.000 0.557 322 V N 1.533 121.437 119.914 -0.016 0.000 3.001 322 V HA 0.579 4.699 4.120 -0.000 0.000 0.314 322 V C -1.526 174.556 176.094 -0.021 0.000 1.099 322 V CA -0.985 61.301 62.300 -0.024 0.000 0.989 322 V CB 2.161 33.948 31.823 -0.059 0.000 1.040 322 V HN 0.319 nan 8.190 nan 0.000 0.434 323 L N 2.972 124.190 121.223 -0.008 0.000 2.737 323 L HA 0.519 4.859 4.340 -0.000 0.000 0.261 323 L C -1.064 175.813 176.870 0.011 0.000 0.949 323 L CA -0.062 54.777 54.840 -0.002 0.000 0.952 323 L CB 2.004 44.075 42.059 0.021 0.000 1.337 323 L HN 0.728 nan 8.230 nan 0.000 0.430 324 E N 3.810 124.002 120.200 -0.014 0.000 2.101 324 E HA 0.476 4.826 4.350 -0.000 0.000 0.260 324 E C -0.399 176.196 176.600 -0.007 0.000 0.897 324 E CA -0.443 55.953 56.400 -0.006 0.000 0.744 324 E CB 1.628 31.300 29.700 -0.045 0.000 1.140 324 E HN 0.686 nan 8.360 nan 0.000 0.419 325 T N 0.909 115.479 114.554 0.026 0.000 2.938 325 T HA 0.449 4.799 4.350 -0.000 0.000 0.285 325 T C 0.096 174.813 174.700 0.029 0.000 1.028 325 T CA -0.842 61.288 62.100 0.050 0.000 1.005 325 T CB 1.892 70.808 68.868 0.080 0.000 1.157 325 T HN 0.303 nan 8.240 nan 0.000 0.550 326 R N 0.704 121.232 120.500 0.046 0.000 2.528 326 R HA 0.274 4.614 4.340 -0.000 0.000 0.271 326 R C 1.694 177.975 176.300 -0.032 0.000 1.056 326 R CA -0.451 55.659 56.100 0.017 0.000 1.117 326 R CB 0.513 30.845 30.300 0.054 0.000 1.085 326 R HN 0.879 nan 8.270 nan 0.000 0.530 327 N N 2.187 120.869 118.700 -0.031 0.000 2.513 327 N HA -0.150 4.590 4.740 -0.000 0.000 0.187 327 N C 1.241 176.695 175.510 -0.092 0.000 1.056 327 N CA 1.675 54.699 53.050 -0.044 0.000 0.907 327 N CB -0.660 37.821 38.487 -0.010 0.000 0.954 327 N HN 0.443 nan 8.380 nan 0.000 0.445 328 V N -1.450 118.402 119.914 -0.103 0.000 3.140 328 V HA -0.119 4.001 4.120 -0.000 0.000 0.269 328 V C 2.201 178.107 176.094 -0.314 0.000 1.149 328 V CA 1.176 63.401 62.300 -0.125 0.000 1.162 328 V CB -1.189 30.626 31.823 -0.014 0.000 0.756 328 V HN 0.401 nan 8.190 nan 0.000 0.523 329 I N 1.715 121.991 120.570 -0.489 0.000 2.335 329 I HA 0.146 4.316 4.170 -0.000 0.000 0.251 329 I C 1.474 177.459 176.117 -0.219 0.000 1.129 329 I CA 1.269 62.225 61.300 -0.572 0.000 1.402 329 I CB -0.795 36.986 38.000 -0.365 0.000 1.069 329 I HN 0.635 nan 8.210 nan 0.000 0.424 330 G N 1.038 109.760 108.800 -0.131 0.000 2.992 330 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.340 330 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.340 330 G C 0.229 175.113 174.900 -0.026 0.000 1.539 330 G CA 0.095 45.161 45.100 -0.056 0.000 0.997 330 G HN 0.444 nan 8.290 nan 0.000 0.561 331 D N 0.271 120.667 120.400 -0.007 0.000 2.157 331 D HA -0.144 4.496 4.640 -0.000 0.000 0.191 331 D C 2.571 178.878 176.300 0.012 0.000 1.004 331 D CA 1.777 55.781 54.000 0.006 0.000 0.854 331 D CB -0.132 40.673 40.800 0.010 0.000 0.936 331 D HN 0.563 nan 8.370 nan 0.000 0.446 332 R N 0.155 120.664 120.500 0.015 0.000 2.097 332 R HA -0.128 4.212 4.340 -0.000 0.000 0.236 332 R C 2.496 178.819 176.300 0.039 0.000 1.135 332 R CA 1.556 57.673 56.100 0.029 0.000 0.934 332 R CB -0.828 29.492 30.300 0.034 0.000 0.846 332 R HN 0.227 nan 8.270 nan 0.000 0.431 333 G N 1.223 110.038 108.800 0.025 0.000 2.586 333 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 333 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 333 G C 1.377 176.303 174.900 0.042 0.000 1.216 333 G CA 1.152 46.272 45.100 0.034 0.000 0.786 333 G HN 0.189 nan 8.290 nan 0.000 0.583 334 L N 0.294 121.530 121.223 0.021 0.000 2.137 334 L HA -0.163 4.177 4.340 -0.000 0.000 0.213 334 L C 2.873 179.761 176.870 0.030 0.000 1.085 334 L CA 1.777 56.632 54.840 0.026 0.000 0.760 334 L CB -0.313 41.758 42.059 0.019 0.000 0.893 334 L HN 0.352 nan 8.230 nan 0.000 0.434 335 E N -0.941 119.277 120.200 0.031 0.000 2.051 335 E HA -0.146 4.204 4.350 -0.000 0.000 0.189 335 E C 2.259 178.887 176.600 0.047 0.000 0.979 335 E CA 1.200 57.613 56.400 0.023 0.000 0.803 335 E CB -0.032 29.679 29.700 0.020 0.000 0.761 335 E HN 0.256 nan 8.360 nan 0.000 0.451 336 V N 1.646 121.624 119.914 0.106 0.000 2.282 336 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 336 V C 2.360 178.587 176.094 0.222 0.000 1.057 336 V CA 1.488 63.925 62.300 0.230 0.000 1.032 336 V CB -0.584 31.367 31.823 0.212 0.000 0.645 336 V HN 0.239 nan 8.190 nan 0.000 0.447 337 L N 1.066 122.367 121.223 0.131 0.000 2.013 337 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 337 L C 2.510 179.423 176.870 0.072 0.000 1.073 337 L CA 2.429 57.331 54.840 0.104 0.000 0.753 337 L CB -1.163 40.938 42.059 0.070 0.000 0.890 337 L HN 0.258 nan 8.230 nan 0.000 0.432 338 A N -0.881 121.956 122.820 0.029 0.000 1.908 338 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 338 A C 2.212 179.754 177.584 -0.070 0.000 1.181 338 A CA 2.034 54.059 52.037 -0.021 0.000 0.627 338 A CB -0.631 18.345 19.000 -0.041 0.000 0.818 338 A HN 0.763 nan 8.150 nan 0.000 0.445 339 Q N -2.652 117.063 119.800 -0.142 0.000 2.373 339 Q HA -0.001 4.339 4.340 -0.000 0.000 0.210 339 Q C 1.510 177.298 176.000 -0.353 0.000 0.913 339 Q CA 0.891 56.514 55.803 -0.300 0.000 0.911 339 Q CB -0.223 28.239 28.738 -0.460 0.000 1.040 339 Q HN 0.704 nan 8.270 nan 0.000 0.521 340 Y N 0.246 120.547 120.300 0.001 0.000 2.503 340 Y HA 0.198 4.748 4.550 -0.000 0.000 0.277 340 Y C 1.058 176.960 175.900 0.003 0.000 1.102 340 Y CA -0.213 57.888 58.100 0.003 0.000 1.261 340 Y CB 0.789 39.253 38.460 0.006 0.000 1.096 340 Y HN 0.131 nan 8.280 nan 0.000 0.546 341 C N 2.252 121.635 119.300 0.139 0.000 2.364 341 C HA 0.289 4.749 4.460 -0.000 0.000 0.405 341 C C 1.456 176.474 174.990 0.046 0.000 1.122 341 C CA -1.275 57.794 59.018 0.085 0.000 1.601 341 C CB -0.598 27.191 27.740 0.081 0.000 1.601 341 C HN 0.282 nan 8.230 nan 0.000 0.509 342 K N 1.711 122.131 120.400 0.033 0.000 2.057 342 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 342 K C 1.755 178.368 176.600 0.022 0.000 1.050 342 K CA 1.293 57.589 56.287 0.015 0.000 0.935 342 K CB -0.034 32.470 32.500 0.007 0.000 0.715 342 K HN 0.720 nan 8.250 nan 0.000 0.439 343 Q N 1.571 121.387 119.800 0.027 0.000 2.399 343 Q HA 0.108 4.448 4.340 -0.000 0.000 0.307 343 Q C -0.019 176.000 176.000 0.031 0.000 0.933 343 Q CA -0.365 55.455 55.803 0.028 0.000 0.995 343 Q CB -0.721 28.031 28.738 0.024 0.000 1.191 343 Q HN 0.006 nan 8.270 nan 0.000 0.426 344 L N 1.944 123.189 121.223 0.037 0.000 2.410 344 L HA 0.079 4.419 4.340 -0.000 0.000 0.273 344 L C 0.914 177.815 176.870 0.052 0.000 1.152 344 L CA 0.822 55.687 54.840 0.042 0.000 0.855 344 L CB 0.730 42.819 42.059 0.049 0.000 1.129 344 L HN 0.416 nan 8.230 nan 0.000 0.463 345 K N 3.284 123.715 120.400 0.051 0.000 2.491 345 K HA 0.318 4.638 4.320 -0.000 0.000 0.211 345 K C -0.256 176.399 176.600 0.091 0.000 1.210 345 K CA -0.319 56.008 56.287 0.067 0.000 1.003 345 K CB 0.551 33.081 32.500 0.050 0.000 1.009 345 K HN 0.524 nan 8.250 nan 0.000 0.577 346 R N 1.383 121.926 120.500 0.072 0.000 2.532 346 R HA 0.480 4.820 4.340 -0.000 0.000 0.297 346 R C -1.726 174.647 176.300 0.122 0.000 0.984 346 R CA -1.010 55.153 56.100 0.105 0.000 0.884 346 R CB 2.002 32.259 30.300 -0.072 0.000 1.182 346 R HN 0.095 nan 8.270 nan 0.000 0.442 347 L N 1.062 122.421 121.223 0.227 0.000 2.401 347 L HA 0.648 4.988 4.340 -0.000 0.000 0.266 347 L C -1.269 175.746 176.870 0.241 0.000 0.991 347 L CA -0.531 54.412 54.840 0.170 0.000 0.818 347 L CB 2.155 44.292 42.059 0.129 0.000 1.321 347 L HN 0.667 nan 8.230 nan 0.000 0.413 348 R N 4.819 125.425 120.500 0.177 0.000 2.548 348 R HA 0.658 4.998 4.340 -0.000 0.000 0.280 348 R C -1.847 174.527 176.300 0.123 0.000 1.061 348 R CA -0.570 55.648 56.100 0.197 0.000 0.915 348 R CB 1.642 32.090 30.300 0.247 0.000 1.210 348 R HN 0.838 nan 8.270 nan 0.000 0.442 349 I N 4.315 124.962 120.570 0.127 0.000 2.495 349 I HA 0.178 4.348 4.170 -0.000 0.000 0.277 349 I C -0.319 175.874 176.117 0.128 0.000 1.045 349 I CA -0.430 60.926 61.300 0.093 0.000 1.135 349 I CB 1.680 39.722 38.000 0.070 0.000 1.241 349 I HN 0.521 nan 8.210 nan 0.000 0.469 350 E N 6.756 126.974 120.200 0.029 0.000 2.101 350 E HA 0.359 4.709 4.350 -0.000 0.000 0.260 350 E C -0.348 176.119 176.600 -0.221 0.000 0.897 350 E CA -0.885 55.394 56.400 -0.201 0.000 0.744 350 E CB 1.478 30.944 29.700 -0.390 0.000 1.140 350 E HN 0.462 nan 8.360 nan 0.000 0.419 351 R N 2.675 123.066 120.500 -0.181 0.000 2.590 351 R HA 0.252 4.592 4.340 -0.000 0.000 0.274 351 R C 0.274 176.462 176.300 -0.187 0.000 1.061 351 R CA 1.123 57.150 56.100 -0.122 0.000 1.081 351 R CB 0.324 30.593 30.300 -0.050 0.000 0.984 351 R HN 0.932 nan 8.270 nan 0.000 0.448 352 G N 2.544 111.281 108.800 -0.105 0.000 2.623 352 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.281 352 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.281 352 G C 0.217 175.054 174.900 -0.105 0.000 1.087 352 G CA 0.008 45.053 45.100 -0.093 0.000 1.244 352 G HN 0.805 nan 8.290 nan 0.000 0.544 353 A N -0.516 122.269 122.820 -0.059 0.000 2.252 353 A HA 0.496 4.816 4.320 -0.000 0.000 0.213 353 A C 1.575 179.106 177.584 -0.087 0.000 1.188 353 A CA 1.633 53.643 52.037 -0.045 0.000 0.863 353 A CB 0.287 19.328 19.000 0.069 0.000 0.893 353 A HN 0.562 nan 8.150 nan 0.000 0.495 354 D N -1.259 119.097 120.400 -0.073 0.000 2.690 354 D HA 0.111 4.751 4.640 -0.000 0.000 0.235 354 D C 0.045 176.318 176.300 -0.045 0.000 1.327 354 D CA 0.435 54.389 54.000 -0.077 0.000 1.264 354 D CB 0.648 41.391 40.800 -0.095 0.000 1.574 354 D HN 0.438 nan 8.370 nan 0.000 0.421 355 E N 0.343 120.525 120.200 -0.029 0.000 2.339 355 E HA 0.302 4.652 4.350 -0.000 0.000 0.262 355 E C 0.026 176.617 176.600 -0.015 0.000 0.934 355 E CA -0.533 55.856 56.400 -0.018 0.000 0.802 355 E CB 1.599 31.295 29.700 -0.008 0.000 1.275 355 E HN -0.043 nan 8.360 nan 0.000 0.427 356 Q N 0.202 119.996 119.800 -0.010 0.000 2.373 356 Q HA 0.114 4.454 4.340 -0.000 0.000 0.206 356 Q C 0.672 176.670 176.000 -0.003 0.000 0.942 356 Q CA -0.021 55.778 55.803 -0.008 0.000 0.953 356 Q CB -0.176 28.559 28.738 -0.006 0.000 1.022 356 Q HN 0.653 nan 8.270 nan 0.000 0.502 357 G N 1.216 110.016 108.800 0.000 0.000 3.076 357 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.248 357 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.248 357 G C 0.829 175.733 174.900 0.008 0.000 1.258 357 G CA -0.221 44.883 45.100 0.007 0.000 0.895 357 G HN 0.221 nan 8.290 nan 0.000 0.618 358 M N -0.353 119.254 119.600 0.012 0.000 2.426 358 M HA -0.068 4.411 4.480 -0.000 0.000 0.261 358 M C 1.315 177.621 176.300 0.011 0.000 1.068 358 M CA 1.075 56.383 55.300 0.012 0.000 1.066 358 M CB -0.365 32.245 32.600 0.017 0.000 1.399 358 M HN 0.572 nan 8.290 nan 0.000 0.449 359 E N 2.187 122.394 120.200 0.011 0.000 2.037 359 E HA 0.123 4.473 4.350 -0.000 0.000 0.253 359 E C -0.697 175.904 176.600 0.001 0.000 1.265 359 E CA 0.189 56.593 56.400 0.006 0.000 0.972 359 E CB -0.824 28.880 29.700 0.006 0.000 1.054 359 E HN 0.367 nan 8.360 nan 0.000 0.432 360 D N 0.558 120.959 120.400 0.002 0.000 2.711 360 D HA 0.042 4.682 4.640 -0.000 0.000 0.204 360 D C -0.783 175.519 176.300 0.003 0.000 1.257 360 D CA -0.839 53.162 54.000 0.002 0.000 0.808 360 D CB 0.424 41.224 40.800 0.000 0.000 1.780 360 D HN 0.201 nan 8.370 nan 0.000 0.537 361 E N 0.774 120.977 120.200 0.004 0.000 2.023 361 E HA -0.320 4.030 4.350 -0.000 0.000 0.164 361 E C -0.482 176.121 176.600 0.004 0.000 1.456 361 E CA 1.253 57.656 56.400 0.004 0.000 0.617 361 E CB -0.216 29.486 29.700 0.003 0.000 1.042 361 E HN 0.551 nan 8.360 nan 0.000 0.301 362 E N -0.675 119.527 120.200 0.004 0.000 4.347 362 E HA 0.133 4.483 4.350 -0.000 0.000 0.170 362 E C 1.548 178.150 176.600 0.003 0.000 1.224 362 E CA -0.111 56.291 56.400 0.004 0.000 0.735 362 E CB -0.981 28.722 29.700 0.004 0.000 2.611 362 E HN 0.238 nan 8.360 nan 0.000 0.520 363 G N 2.280 111.079 108.800 -0.001 0.000 2.624 363 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.221 363 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.221 363 G C 1.589 176.485 174.900 -0.005 0.000 1.169 363 G CA 1.898 46.994 45.100 -0.007 0.000 0.771 363 G HN 0.285 nan 8.290 nan 0.000 0.598 364 L N -1.091 120.128 121.223 -0.006 0.000 2.403 364 L HA -0.318 4.022 4.340 -0.000 0.000 0.237 364 L C 0.828 177.703 176.870 0.007 0.000 1.138 364 L CA 2.409 57.250 54.840 0.001 0.000 0.841 364 L CB -0.598 41.467 42.059 0.009 0.000 0.979 364 L HN 0.507 nan 8.230 nan 0.000 0.435 365 V N -5.065 114.856 119.914 0.012 0.000 3.266 365 V HA 0.210 4.330 4.120 -0.000 0.000 0.246 365 V C -0.180 175.925 176.094 0.019 0.000 0.914 365 V CA -0.497 61.814 62.300 0.019 0.000 1.015 365 V CB 0.668 32.506 31.823 0.025 0.000 0.975 365 V HN 0.222 nan 8.190 nan 0.000 0.512 366 S N 2.905 118.615 115.700 0.017 0.000 2.552 366 S HA 0.134 4.604 4.470 -0.000 0.000 0.289 366 S C 1.557 176.172 174.600 0.026 0.000 1.304 366 S CA 0.028 58.240 58.200 0.019 0.000 1.063 366 S CB 1.141 64.351 63.200 0.017 0.000 0.848 366 S HN 0.779 nan 8.310 nan 0.000 0.499 367 Q N 4.182 123.999 119.800 0.029 0.000 2.268 367 Q HA -0.230 4.110 4.340 -0.000 0.000 0.210 367 Q C 2.110 178.132 176.000 0.036 0.000 0.988 367 Q CA 2.034 57.860 55.803 0.037 0.000 0.883 367 Q CB -0.726 28.034 28.738 0.037 0.000 0.911 367 Q HN 0.931 nan 8.270 nan 0.000 0.430 368 R N 0.336 120.852 120.500 0.027 0.000 2.096 368 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 368 R C 2.155 178.467 176.300 0.020 0.000 1.127 368 R CA 1.565 57.678 56.100 0.022 0.000 0.968 368 R CB -0.961 29.349 30.300 0.016 0.000 0.861 368 R HN 0.199 nan 8.270 nan 0.000 0.440 369 G N 2.233 111.046 108.800 0.022 0.000 2.639 369 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 369 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 369 G C 1.532 176.450 174.900 0.030 0.000 1.267 369 G CA 1.282 46.396 45.100 0.022 0.000 0.801 369 G HN 0.229 nan 8.290 nan 0.000 0.592 370 L N 0.313 121.562 121.223 0.044 0.000 2.089 370 L HA -0.141 4.199 4.340 -0.000 0.000 0.213 370 L C 2.937 179.841 176.870 0.057 0.000 1.079 370 L CA 0.979 55.856 54.840 0.062 0.000 0.758 370 L CB -0.554 41.554 42.059 0.083 0.000 0.891 370 L HN 0.262 nan 8.230 nan 0.000 0.433 371 I N -0.282 120.316 120.570 0.046 0.000 2.439 371 I HA -0.206 3.964 4.170 -0.000 0.000 0.251 371 I C 2.789 178.903 176.117 -0.005 0.000 1.139 371 I CA 0.934 62.260 61.300 0.043 0.000 1.438 371 I CB -0.433 37.596 38.000 0.048 0.000 1.085 371 I HN 0.192 nan 8.210 nan 0.000 0.427 372 A N 1.112 123.925 122.820 -0.012 0.000 1.872 372 A HA -0.175 4.145 4.320 -0.000 0.000 0.214 372 A C 2.238 179.791 177.584 -0.052 0.000 1.187 372 A CA 1.256 53.267 52.037 -0.043 0.000 0.614 372 A CB -0.711 18.274 19.000 -0.024 0.000 0.826 372 A HN 0.381 nan 8.150 nan 0.000 0.442 373 L N 0.036 121.252 121.223 -0.012 0.000 2.046 373 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 373 L C 2.472 179.342 176.870 -0.001 0.000 1.077 373 L CA 2.352 57.194 54.840 0.004 0.000 0.747 373 L CB -1.066 41.015 42.059 0.037 0.000 0.896 373 L HN 0.307 nan 8.230 nan 0.000 0.432 374 A N -0.711 122.115 122.820 0.011 0.000 1.908 374 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 374 A C 2.174 179.725 177.584 -0.055 0.000 1.181 374 A CA 1.970 54.032 52.037 0.043 0.000 0.627 374 A CB -0.576 18.488 19.000 0.106 0.000 0.818 374 A HN 0.727 nan 8.150 nan 0.000 0.445 375 Q N -0.821 118.820 119.800 -0.265 0.000 2.096 375 Q HA 0.012 4.352 4.340 -0.000 0.000 0.197 375 Q C 2.252 178.067 176.000 -0.309 0.000 0.964 375 Q CA 0.870 56.306 55.803 -0.613 0.000 0.838 375 Q CB -0.382 27.901 28.738 -0.758 0.000 0.906 375 Q HN 0.627 nan 8.270 nan 0.000 0.444 376 G N 1.415 110.109 108.800 -0.176 0.000 2.524 376 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.215 376 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.215 376 G C 0.405 175.272 174.900 -0.056 0.000 1.239 376 G CA 0.639 45.675 45.100 -0.106 0.000 0.798 376 G HN 0.400 nan 8.290 nan 0.000 0.557 377 C N 0.948 120.235 119.300 -0.021 0.000 2.281 377 C HA 0.554 5.014 4.460 -0.000 0.000 0.336 377 C C 1.012 176.022 174.990 0.033 0.000 1.217 377 C CA -0.532 58.495 59.018 0.014 0.000 1.730 377 C CB 0.231 27.992 27.740 0.035 0.000 2.338 377 C HN 0.558 nan 8.230 nan 0.000 0.521 378 Q N 0.297 120.119 119.800 0.037 0.000 2.214 378 Q HA 0.049 4.389 4.340 -0.000 0.000 0.229 378 Q C 1.307 177.345 176.000 0.065 0.000 0.835 378 Q CA 0.188 56.027 55.803 0.060 0.000 0.953 378 Q CB 0.651 29.426 28.738 0.060 0.000 1.131 378 Q HN 0.772 nan 8.270 nan 0.000 0.501 379 E N 0.539 120.772 120.200 0.056 0.000 2.478 379 E HA 0.092 4.442 4.350 -0.000 0.000 0.194 379 E C 0.056 176.698 176.600 0.071 0.000 1.045 379 E CA -0.130 56.303 56.400 0.056 0.000 0.868 379 E CB 0.457 30.183 29.700 0.044 0.000 0.885 379 E HN 0.266 nan 8.360 nan 0.000 0.505 380 L N 1.684 122.957 121.223 0.084 0.000 2.593 380 L HA -0.142 4.198 4.340 -0.000 0.000 0.287 380 L C 1.199 178.146 176.870 0.128 0.000 1.243 380 L CA 1.001 55.908 54.840 0.111 0.000 0.890 380 L CB 0.326 42.460 42.059 0.124 0.000 1.134 380 L HN 0.172 nan 8.230 nan 0.000 0.502 381 E N 2.484 122.778 120.200 0.156 0.000 2.536 381 E HA 0.053 4.403 4.350 -0.000 0.000 0.220 381 E C -1.072 175.683 176.600 0.258 0.000 0.876 381 E CA -0.046 56.456 56.400 0.169 0.000 1.190 381 E CB 1.207 30.985 29.700 0.130 0.000 1.191 381 E HN 0.485 nan 8.360 nan 0.000 0.557 382 Y N 1.068 121.428 120.300 0.100 0.000 2.442 382 Y HA 0.538 5.089 4.550 0.000 0.000 0.330 382 Y C -1.804 174.161 175.900 0.109 0.000 1.100 382 Y CA -1.125 57.042 58.100 0.111 0.000 1.034 382 Y CB 1.360 39.867 38.460 0.078 0.000 1.285 382 Y HN -0.191 nan 8.280 nan 0.000 0.440 383 M N 5.550 125.051 119.600 -0.166 0.000 2.324 383 M HA 0.831 5.311 4.480 -0.000 0.000 0.288 383 M C -2.075 173.957 176.300 -0.446 0.000 1.097 383 M CA -0.598 54.645 55.300 -0.095 0.000 0.928 383 M CB 2.123 34.800 32.600 0.130 0.000 1.648 383 M HN 1.010 nan 8.290 nan 0.000 0.460 384 A N 4.501 127.147 122.820 -0.290 0.000 2.446 384 A HA 0.698 5.018 4.320 -0.000 0.000 0.282 384 A C -1.875 175.636 177.584 -0.121 0.000 1.102 384 A CA -0.508 51.336 52.037 -0.321 0.000 0.737 384 A CB 1.469 20.333 19.000 -0.227 0.000 1.212 384 A HN 0.560 nan 8.150 nan 0.000 0.434 385 V N 3.059 122.840 119.914 -0.222 0.000 2.540 385 V HA 0.460 4.580 4.120 -0.000 0.000 0.302 385 V C -1.391 174.630 176.094 -0.122 0.000 1.035 385 V CA -0.413 61.835 62.300 -0.087 0.000 0.873 385 V CB 1.664 33.431 31.823 -0.093 0.000 0.992 385 V HN 0.773 nan 8.190 nan 0.000 0.428 386 Y N 3.711 123.962 120.300 -0.081 0.000 2.331 386 Y HA 0.717 5.267 4.550 -0.000 0.000 0.338 386 Y C 0.057 175.921 175.900 -0.060 0.000 0.976 386 Y CA -0.427 57.625 58.100 -0.080 0.000 1.137 386 Y CB 1.963 40.388 38.460 -0.059 0.000 1.172 386 Y HN 0.358 nan 8.280 nan 0.000 0.478 387 V N 1.797 121.743 119.914 0.052 0.000 3.049 387 V HA 0.236 4.356 4.120 -0.000 0.000 0.309 387 V C 0.284 176.385 176.094 0.012 0.000 1.148 387 V CA -0.435 61.881 62.300 0.027 0.000 0.990 387 V CB 2.485 34.311 31.823 0.006 0.000 1.039 387 V HN 0.827 nan 8.190 nan 0.000 0.430 388 S N 0.959 116.667 115.700 0.013 0.000 2.362 388 S HA 0.083 4.553 4.470 -0.000 0.000 0.221 388 S C 0.190 174.789 174.600 -0.002 0.000 1.032 388 S CA 0.927 59.130 58.200 0.005 0.000 0.973 388 S CB 0.016 63.220 63.200 0.006 0.000 0.849 388 S HN 0.811 nan 8.310 nan 0.000 0.465 389 D N 0.247 120.649 120.400 0.003 0.000 2.977 389 D HA 0.313 4.953 4.640 -0.000 0.000 0.220 389 D C -1.076 175.233 176.300 0.016 0.000 1.267 389 D CA -0.379 53.624 54.000 0.005 0.000 0.884 389 D CB 1.719 42.523 40.800 0.008 0.000 1.667 389 D HN 0.055 nan 8.370 nan 0.000 0.536 390 I N -0.081 120.501 120.570 0.021 0.000 2.793 390 I HA 0.525 4.695 4.170 -0.000 0.000 0.313 390 I C 0.648 176.794 176.117 0.048 0.000 0.998 390 I CA -0.630 60.695 61.300 0.042 0.000 1.140 390 I CB 1.144 39.179 38.000 0.058 0.000 1.327 390 I HN 0.220 nan 8.210 nan 0.000 0.491 391 T N -0.978 113.609 114.554 0.055 0.000 2.888 391 T HA 0.333 4.683 4.350 -0.000 0.000 0.284 391 T C 0.893 175.633 174.700 0.066 0.000 1.017 391 T CA -0.798 61.334 62.100 0.054 0.000 1.022 391 T CB 1.714 70.607 68.868 0.043 0.000 1.013 391 T HN 0.530 nan 8.240 nan 0.000 0.465 392 N N 1.361 120.102 118.700 0.068 0.000 2.111 392 N HA -0.239 4.501 4.740 -0.000 0.000 0.197 392 N C 1.568 177.107 175.510 0.048 0.000 1.011 392 N CA 1.643 54.733 53.050 0.067 0.000 0.880 392 N CB -0.122 38.400 38.487 0.058 0.000 1.031 392 N HN 0.688 nan 8.380 nan 0.000 0.444 393 E N 0.911 121.135 120.200 0.041 0.000 2.108 393 E HA -0.168 4.182 4.350 -0.000 0.000 0.203 393 E C 2.047 178.674 176.600 0.045 0.000 1.022 393 E CA 0.996 57.418 56.400 0.037 0.000 0.823 393 E CB -0.291 29.431 29.700 0.037 0.000 0.744 393 E HN 0.294 nan 8.360 nan 0.000 0.456 394 S N 0.705 116.438 115.700 0.056 0.000 2.344 394 S HA -0.111 4.359 4.470 -0.000 0.000 0.217 394 S C 2.058 176.694 174.600 0.061 0.000 1.033 394 S CA 0.724 58.964 58.200 0.067 0.000 1.017 394 S CB -0.199 63.048 63.200 0.078 0.000 0.941 394 S HN 0.150 nan 8.310 nan 0.000 0.430 395 L N 1.948 123.210 121.223 0.064 0.000 1.997 395 L HA -0.176 4.164 4.340 -0.000 0.000 0.216 395 L C 2.374 179.236 176.870 -0.013 0.000 1.074 395 L CA 1.874 56.736 54.840 0.037 0.000 0.763 395 L CB -1.781 40.334 42.059 0.094 0.000 0.890 395 L HN 0.483 nan 8.230 nan 0.000 0.434 396 E N -0.636 119.560 120.200 -0.007 0.000 2.209 396 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 396 E C 2.269 178.846 176.600 -0.037 0.000 0.993 396 E CA 1.395 57.769 56.400 -0.042 0.000 0.819 396 E CB -0.112 29.565 29.700 -0.039 0.000 0.745 396 E HN 0.372 nan 8.360 nan 0.000 0.477 397 S N 0.291 116.000 115.700 0.015 0.000 2.406 397 S HA -0.061 4.409 4.470 -0.000 0.000 0.224 397 S C 1.895 176.555 174.600 0.101 0.000 1.030 397 S CA 0.167 58.415 58.200 0.080 0.000 0.958 397 S CB 0.080 63.360 63.200 0.134 0.000 0.811 397 S HN 0.039 nan 8.310 nan 0.000 0.489 398 I N 2.118 122.716 120.570 0.045 0.000 2.315 398 I HA 0.023 4.193 4.170 -0.000 0.000 0.248 398 I C 2.507 178.613 176.117 -0.018 0.000 1.117 398 I CA 1.199 62.515 61.300 0.027 0.000 1.404 398 I CB -1.125 36.840 38.000 -0.058 0.000 1.071 398 I HN 0.395 nan 8.210 nan 0.000 0.419 399 G N -0.475 108.281 108.800 -0.074 0.000 2.408 399 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 399 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 399 G C 1.737 176.575 174.900 -0.103 0.000 1.150 399 G CA 1.405 46.443 45.100 -0.103 0.000 0.776 399 G HN 0.456 nan 8.290 nan 0.000 0.542 400 T N -2.992 111.478 114.554 -0.141 0.000 2.942 400 T HA 0.027 4.377 4.350 -0.000 0.000 0.265 400 T C 2.085 176.601 174.700 -0.307 0.000 1.062 400 T CA 0.954 62.884 62.100 -0.283 0.000 1.139 400 T CB -0.340 68.266 68.868 -0.438 0.000 0.883 400 T HN 0.387 nan 8.240 nan 0.000 0.468 401 Y N 1.224 121.513 120.300 -0.019 0.000 2.464 401 Y HA 0.388 4.938 4.550 -0.000 0.000 0.288 401 Y C 0.731 176.633 175.900 0.004 0.000 1.133 401 Y CA -0.550 57.547 58.100 -0.006 0.000 1.223 401 Y CB 0.441 38.901 38.460 0.000 0.000 1.187 401 Y HN 0.147 nan 8.280 nan 0.000 0.539 402 L N -0.576 120.746 121.223 0.164 0.000 2.494 402 L HA 0.488 4.828 4.340 -0.000 0.000 0.251 402 L C 0.375 177.290 176.870 0.076 0.000 1.119 402 L CA -0.536 54.374 54.840 0.116 0.000 1.026 402 L CB 0.607 42.736 42.059 0.116 0.000 1.370 402 L HN -0.273 nan 8.230 nan 0.000 0.426 403 K N 1.936 122.373 120.400 0.062 0.000 2.442 403 K HA -0.068 4.252 4.320 -0.000 0.000 0.198 403 K C 0.389 177.015 176.600 0.044 0.000 1.044 403 K CA 0.854 57.163 56.287 0.036 0.000 0.948 403 K CB -0.282 32.234 32.500 0.026 0.000 0.762 403 K HN 0.881 nan 8.250 nan 0.000 0.472 404 N N -0.455 118.282 118.700 0.062 0.000 2.571 404 N HA 0.098 4.838 4.740 -0.000 0.000 0.298 404 N C -0.443 175.124 175.510 0.095 0.000 1.671 404 N CA -0.293 52.799 53.050 0.069 0.000 0.900 404 N CB -0.355 38.168 38.487 0.060 0.000 1.365 404 N HN -0.095 nan 8.380 nan 0.000 0.493 405 L N -0.485 120.803 121.223 0.109 0.000 2.517 405 L HA -0.124 4.216 4.340 -0.000 0.000 0.294 405 L C 0.567 177.526 176.870 0.150 0.000 1.264 405 L CA 0.384 55.313 54.840 0.148 0.000 0.839 405 L CB 0.374 42.530 42.059 0.162 0.000 1.098 405 L HN 0.446 nan 8.230 nan 0.000 0.525 406 C N -0.767 118.643 119.300 0.184 0.000 3.484 406 C HA 0.198 4.658 4.460 -0.000 0.000 0.543 406 C C 0.250 175.377 174.990 0.229 0.000 1.395 406 C CA -0.224 58.904 59.018 0.184 0.000 2.412 406 C CB 0.364 28.203 27.740 0.166 0.000 3.532 406 C HN 0.762 nan 8.230 nan 0.000 0.584 407 D N 0.569 121.107 120.400 0.232 0.000 2.402 407 D HA 0.355 4.995 4.640 -0.000 0.000 0.252 407 D C -1.566 174.786 176.300 0.088 0.000 1.294 407 D CA -0.033 54.084 54.000 0.195 0.000 0.948 407 D CB 0.763 41.683 40.800 0.200 0.000 1.202 407 D HN 0.205 nan 8.370 nan 0.000 0.561 408 F N 3.454 123.464 119.950 0.100 0.000 2.480 408 F HA 0.596 5.123 4.527 -0.000 0.000 0.329 408 F C -0.597 175.206 175.800 0.005 0.000 1.091 408 F CA -0.576 57.458 58.000 0.058 0.000 0.972 408 F CB 1.068 40.203 39.000 0.225 0.000 1.150 408 F HN 0.140 nan 8.300 nan 0.000 0.467 409 R N 7.291 127.090 120.500 -1.168 0.000 2.810 409 R HA 0.306 4.646 4.340 -0.000 0.000 0.280 409 R C -2.066 173.694 176.300 -0.900 0.000 1.517 409 R CA -0.850 54.769 56.100 -0.802 0.000 1.063 409 R CB 1.592 31.628 30.300 -0.441 0.000 1.275 409 R HN 0.501 nan 8.270 nan 0.000 0.464 410 L N 4.016 124.751 121.223 -0.814 0.000 2.295 410 L HA 0.561 4.901 4.340 -0.000 0.000 0.285 410 L C -0.829 175.735 176.870 -0.509 0.000 1.035 410 L CA -0.612 53.867 54.840 -0.602 0.000 0.806 410 L CB 1.936 43.722 42.059 -0.455 0.000 1.214 410 L HN 0.286 nan 8.230 nan 0.000 0.426 411 V N 6.258 125.889 119.914 -0.472 0.000 2.483 411 V HA 0.382 4.502 4.120 -0.000 0.000 0.297 411 V C 0.202 176.173 176.094 -0.204 0.000 1.027 411 V CA -0.780 61.293 62.300 -0.378 0.000 0.855 411 V CB 1.891 33.298 31.823 -0.693 0.000 0.995 411 V HN 0.567 nan 8.190 nan 0.000 0.424 412 L N 5.529 126.695 121.223 -0.095 0.000 2.360 412 L HA 0.309 4.649 4.340 -0.000 0.000 0.276 412 L C 0.932 177.793 176.870 -0.014 0.000 1.121 412 L CA -0.030 54.783 54.840 -0.046 0.000 0.845 412 L CB 0.925 42.962 42.059 -0.037 0.000 1.143 412 L HN 0.667 nan 8.230 nan 0.000 0.452 413 L N 0.974 122.199 121.223 0.003 0.000 2.298 413 L HA 0.101 4.441 4.340 -0.000 0.000 0.209 413 L C 1.032 177.900 176.870 -0.004 0.000 1.084 413 L CA 0.149 54.999 54.840 0.017 0.000 0.816 413 L CB -0.080 42.007 42.059 0.046 0.000 0.967 413 L HN 0.617 nan 8.230 nan 0.000 0.460 414 D N 1.096 121.491 120.400 -0.009 0.000 2.389 414 D HA -0.052 4.588 4.640 -0.000 0.000 0.263 414 D C 0.942 177.221 176.300 -0.037 0.000 1.255 414 D CA 0.190 54.179 54.000 -0.019 0.000 0.914 414 D CB 0.942 41.732 40.800 -0.016 0.000 1.116 414 D HN -0.045 nan 8.370 nan 0.000 0.502 415 R N 2.318 122.792 120.500 -0.044 0.000 2.200 415 R HA 0.003 4.343 4.340 -0.000 0.000 0.208 415 R C 0.159 176.409 176.300 -0.083 0.000 1.033 415 R CA 0.164 56.219 56.100 -0.075 0.000 1.000 415 R CB -0.048 30.213 30.300 -0.065 0.000 0.906 415 R HN 0.533 nan 8.270 nan 0.000 0.462 416 E N 2.504 122.671 120.200 -0.054 0.000 2.529 416 E HA -0.093 4.257 4.350 -0.000 0.000 0.259 416 E C -0.179 176.389 176.600 -0.053 0.000 0.966 416 E CA 0.508 56.880 56.400 -0.047 0.000 0.937 416 E CB 0.336 30.018 29.700 -0.030 0.000 0.923 416 E HN 0.061 nan 8.360 nan 0.000 0.468 417 E N 3.219 123.388 120.200 -0.053 0.000 2.328 417 E HA -0.004 4.346 4.350 -0.000 0.000 0.265 417 E C -0.070 176.511 176.600 -0.032 0.000 1.057 417 E CA -0.052 56.319 56.400 -0.049 0.000 0.916 417 E CB 0.398 30.071 29.700 -0.045 0.000 0.993 417 E HN 0.050 nan 8.360 nan 0.000 0.446 418 R N 3.271 123.754 120.500 -0.028 0.000 2.825 418 R HA 0.136 4.476 4.340 -0.000 0.000 0.261 418 R C 0.991 177.285 176.300 -0.011 0.000 1.341 418 R CA -0.438 55.653 56.100 -0.016 0.000 1.353 418 R CB -0.735 29.559 30.300 -0.010 0.000 1.191 418 R HN 0.532 nan 8.270 nan 0.000 0.590 419 I N 1.362 121.925 120.570 -0.011 0.000 2.756 419 I HA -0.169 4.001 4.170 -0.000 0.000 0.262 419 I C 1.097 177.212 176.117 -0.003 0.000 1.225 419 I CA 1.533 62.828 61.300 -0.008 0.000 1.472 419 I CB 0.308 38.302 38.000 -0.009 0.000 1.094 419 I HN 0.441 nan 8.210 nan 0.000 0.454 420 T N -2.970 111.583 114.554 -0.001 0.000 3.266 420 T HA 0.270 4.620 4.350 -0.000 0.000 0.278 420 T C 0.255 174.958 174.700 0.005 0.000 1.010 420 T CA -0.635 61.466 62.100 0.002 0.000 0.909 420 T CB -0.406 68.463 68.868 0.002 0.000 1.122 420 T HN 0.136 nan 8.240 nan 0.000 0.536 421 D N 1.411 121.814 120.400 0.005 0.000 2.299 421 D HA 0.541 5.181 4.640 -0.000 0.000 0.243 421 D C -0.163 176.147 176.300 0.015 0.000 0.982 421 D CA -0.576 53.430 54.000 0.011 0.000 0.924 421 D CB 2.100 42.905 40.800 0.009 0.000 1.238 421 D HN 0.229 nan 8.370 nan 0.000 0.484 422 L N 0.116 121.353 121.223 0.023 0.000 2.431 422 L HA 0.608 4.948 4.340 -0.000 0.000 0.260 422 L C -2.242 174.653 176.870 0.042 0.000 1.098 422 L CA -1.647 53.212 54.840 0.030 0.000 0.800 422 L CB -1.145 40.934 42.059 0.034 0.000 1.210 422 L HN 0.141 nan 8.230 nan 0.000 0.465 423 P HA 0.200 nan 4.420 nan 0.000 0.271 423 P C 0.287 177.643 177.300 0.094 0.000 1.233 423 P CA -0.083 63.056 63.100 0.065 0.000 0.789 423 P CB 0.481 32.211 31.700 0.050 0.000 0.951 424 L N 0.297 121.602 121.223 0.138 0.000 2.607 424 L HA 0.025 4.365 4.340 -0.000 0.000 0.228 424 L C 1.398 178.373 176.870 0.176 0.000 1.123 424 L CA 0.258 55.208 54.840 0.184 0.000 0.890 424 L CB -0.469 41.771 42.059 0.303 0.000 1.103 424 L HN 0.265 nan 8.230 nan 0.000 0.468 425 D N 1.069 121.557 120.400 0.148 0.000 2.248 425 D HA -0.272 4.368 4.640 -0.000 0.000 0.189 425 D C 1.626 178.106 176.300 0.300 0.000 1.011 425 D CA 1.682 55.792 54.000 0.182 0.000 0.868 425 D CB -0.152 40.704 40.800 0.092 0.000 0.931 425 D HN 0.366 nan 8.370 nan 0.000 0.449 426 N N -0.059 118.763 118.700 0.204 0.000 2.354 426 N HA -0.036 4.704 4.740 -0.000 0.000 0.179 426 N C 1.945 177.471 175.510 0.026 0.000 1.021 426 N CA 0.988 54.109 53.050 0.118 0.000 0.887 426 N CB -0.236 38.302 38.487 0.084 0.000 0.974 426 N HN 0.247 nan 8.380 nan 0.000 0.437 427 G N 1.919 110.759 108.800 0.067 0.000 2.434 427 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.214 427 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.214 427 G C 1.799 176.716 174.900 0.029 0.000 1.202 427 G CA 1.387 46.518 45.100 0.053 0.000 0.788 427 G HN 0.243 nan 8.290 nan 0.000 0.539 428 V N -0.130 119.834 119.914 0.082 0.000 2.282 428 V HA -0.219 3.901 4.120 -0.000 0.000 0.249 428 V C 2.541 178.551 176.094 -0.139 0.000 1.057 428 V CA 2.526 64.812 62.300 -0.022 0.000 1.032 428 V CB -0.868 30.850 31.823 -0.174 0.000 0.645 428 V HN 0.371 nan 8.190 nan 0.000 0.447 429 R N 0.602 121.029 120.500 -0.122 0.000 2.097 429 R HA -0.175 4.165 4.340 -0.000 0.000 0.236 429 R C 2.563 178.614 176.300 -0.416 0.000 1.135 429 R CA 2.362 58.246 56.100 -0.361 0.000 0.934 429 R CB -0.689 29.262 30.300 -0.582 0.000 0.846 429 R HN 0.623 nan 8.270 nan 0.000 0.431 430 S N 0.996 116.523 115.700 -0.290 0.000 2.400 430 S HA -0.165 4.305 4.470 -0.000 0.000 0.232 430 S C 1.761 176.225 174.600 -0.227 0.000 1.025 430 S CA 1.308 59.355 58.200 -0.254 0.000 0.993 430 S CB -0.249 62.852 63.200 -0.165 0.000 0.808 430 S HN 0.398 nan 8.310 nan 0.000 0.478 431 L N 1.199 122.301 121.223 -0.201 0.000 2.007 431 L HA 0.013 4.353 4.340 -0.000 0.000 0.205 431 L C 1.882 178.620 176.870 -0.219 0.000 1.073 431 L CA 1.311 56.033 54.840 -0.197 0.000 0.744 431 L CB -0.280 41.662 42.059 -0.195 0.000 0.898 431 L HN 0.258 nan 8.230 nan 0.000 0.435 432 L N -0.159 120.904 121.223 -0.267 0.000 2.265 432 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 432 L C 2.392 179.145 176.870 -0.195 0.000 1.117 432 L CA 1.033 55.721 54.840 -0.254 0.000 0.782 432 L CB -0.447 41.444 42.059 -0.281 0.000 0.914 432 L HN 0.359 nan 8.230 nan 0.000 0.441 433 I N -0.435 119.970 120.570 -0.276 0.000 2.716 433 I HA -0.070 4.100 4.170 -0.000 0.000 0.259 433 I C 2.469 178.496 176.117 -0.150 0.000 1.172 433 I CA 0.985 62.141 61.300 -0.240 0.000 1.478 433 I CB -0.418 37.350 38.000 -0.385 0.000 1.104 433 I HN 0.218 nan 8.210 nan 0.000 0.439 434 G N -0.086 108.623 108.800 -0.151 0.000 2.408 434 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.213 434 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.213 434 G C 0.716 175.572 174.900 -0.074 0.000 1.177 434 G CA 0.052 45.085 45.100 -0.111 0.000 0.802 434 G HN 0.358 nan 8.290 nan 0.000 0.533 435 C N 1.996 121.250 119.300 -0.077 0.000 2.365 435 C HA 0.373 4.833 4.460 -0.000 0.000 0.412 435 C C 1.662 176.641 174.990 -0.019 0.000 1.023 435 C CA -0.540 58.457 59.018 -0.036 0.000 1.287 435 C CB -0.896 26.821 27.740 -0.039 0.000 1.675 435 C HN 0.432 nan 8.230 nan 0.000 0.520 436 K N 0.773 121.169 120.400 -0.007 0.000 2.305 436 K HA -0.008 4.312 4.320 -0.000 0.000 0.199 436 K C 1.290 177.904 176.600 0.022 0.000 1.047 436 K CA 0.826 57.114 56.287 0.001 0.000 0.976 436 K CB 0.176 32.676 32.500 0.000 0.000 0.765 436 K HN 0.522 nan 8.250 nan 0.000 0.474 437 K N 1.104 121.526 120.400 0.037 0.000 2.862 437 K HA 0.104 4.424 4.320 -0.000 0.000 0.229 437 K C -0.810 175.838 176.600 0.080 0.000 1.107 437 K CA -0.217 56.102 56.287 0.055 0.000 1.222 437 K CB 0.158 32.692 32.500 0.056 0.000 1.067 437 K HN -0.064 nan 8.250 nan 0.000 0.464 438 L N 0.768 122.038 121.223 0.080 0.000 2.264 438 L HA 0.205 4.545 4.340 -0.000 0.000 0.289 438 L C 0.906 177.861 176.870 0.142 0.000 1.044 438 L CA 0.197 55.110 54.840 0.123 0.000 0.807 438 L CB 0.816 42.936 42.059 0.102 0.000 1.192 438 L HN 0.071 nan 8.230 nan 0.000 0.425 439 R N 2.863 123.475 120.500 0.187 0.000 2.250 439 R HA 0.313 4.653 4.340 -0.000 0.000 0.194 439 R C -0.101 176.388 176.300 0.315 0.000 0.927 439 R CA 0.042 56.265 56.100 0.205 0.000 1.052 439 R CB 0.636 31.037 30.300 0.168 0.000 1.055 439 R HN 0.535 nan 8.270 nan 0.000 0.537 440 R N -0.072 120.661 120.500 0.387 0.000 2.686 440 R HA 0.366 4.706 4.340 -0.000 0.000 0.283 440 R C -1.688 174.966 176.300 0.589 0.000 0.978 440 R CA -0.626 55.849 56.100 0.626 0.000 0.897 440 R CB 2.254 32.905 30.300 0.585 0.000 1.192 440 R HN -0.137 nan 8.270 nan 0.000 0.457 441 F N 1.223 121.364 119.950 0.318 0.000 2.605 441 F HA 0.634 5.161 4.527 -0.000 0.000 0.320 441 F C -1.771 174.061 175.800 0.054 0.000 1.159 441 F CA -0.355 57.778 58.000 0.222 0.000 0.999 441 F CB 1.794 40.909 39.000 0.192 0.000 1.258 441 F HN 0.650 nan 8.300 nan 0.000 0.464 442 A N 5.100 127.674 122.820 -0.409 0.000 2.414 442 A HA 0.824 5.144 4.320 -0.000 0.000 0.306 442 A C -2.168 175.115 177.584 -0.501 0.000 1.054 442 A CA -0.495 51.304 52.037 -0.396 0.000 0.724 442 A CB 1.100 20.037 19.000 -0.105 0.000 1.267 442 A HN 0.804 nan 8.150 nan 0.000 0.418 443 F N 2.076 121.717 119.950 -0.515 0.000 2.971 443 F HA 0.319 4.846 4.527 -0.000 0.000 0.373 443 F C -1.303 174.406 175.800 -0.152 0.000 1.288 443 F CA -0.248 57.521 58.000 -0.385 0.000 1.204 443 F CB 0.682 39.420 39.000 -0.437 0.000 1.852 443 F HN 0.630 nan 8.300 nan 0.000 0.624 444 Y N 5.201 125.327 120.300 -0.289 0.000 2.383 444 Y HA 0.633 5.183 4.550 -0.000 0.000 0.344 444 Y C -0.667 175.134 175.900 -0.166 0.000 0.986 444 Y CA -0.111 57.893 58.100 -0.160 0.000 1.175 444 Y CB 0.504 38.856 38.460 -0.181 0.000 1.152 444 Y HN 0.394 nan 8.280 nan 0.000 0.511 445 L N 4.757 125.967 121.223 -0.023 0.000 2.225 445 L HA 0.651 4.991 4.340 -0.000 0.000 0.257 445 L C -0.379 176.469 176.870 -0.036 0.000 1.101 445 L CA -1.532 53.307 54.840 -0.002 0.000 1.073 445 L CB 1.405 43.471 42.059 0.011 0.000 1.627 445 L HN 0.456 nan 8.230 nan 0.000 0.518 446 R N -0.347 120.094 120.500 -0.098 0.000 2.893 446 R HA 0.372 4.712 4.340 -0.000 0.000 0.245 446 R C -0.013 176.204 176.300 -0.140 0.000 1.192 446 R CA -0.683 55.263 56.100 -0.256 0.000 1.077 446 R CB 0.657 30.838 30.300 -0.200 0.000 1.253 446 R HN 0.347 nan 8.270 nan 0.000 0.505 447 Q N -0.104 119.601 119.800 -0.159 0.000 2.515 447 Q HA 0.095 4.435 4.340 -0.000 0.000 0.214 447 Q C 1.016 177.000 176.000 -0.027 0.000 0.971 447 Q CA 1.488 57.264 55.803 -0.045 0.000 0.952 447 Q CB -0.266 28.454 28.738 -0.030 0.000 0.999 447 Q HN 0.859 nan 8.270 nan 0.000 0.524 448 G N -1.357 107.427 108.800 -0.027 0.000 2.490 448 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.211 448 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.211 448 G C 1.302 176.214 174.900 0.020 0.000 1.159 448 G CA 0.202 45.298 45.100 -0.005 0.000 0.819 448 G HN 0.480 nan 8.290 nan 0.000 0.539 449 G N 0.365 109.185 108.800 0.033 0.000 2.679 449 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.222 449 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.222 449 G C 0.534 175.503 174.900 0.115 0.000 1.164 449 G CA 1.213 46.361 45.100 0.081 0.000 0.769 449 G HN 0.546 nan 8.290 nan 0.000 0.610 450 L N 0.637 121.923 121.223 0.104 0.000 2.409 450 L HA 0.543 4.883 4.340 -0.000 0.000 0.272 450 L C 0.539 177.430 176.870 0.036 0.000 0.980 450 L CA -0.347 54.547 54.840 0.090 0.000 0.826 450 L CB 2.065 44.201 42.059 0.129 0.000 1.268 450 L HN 0.263 nan 8.230 nan 0.000 0.407 451 T N -0.575 113.981 114.554 0.003 0.000 2.770 451 T HA 0.224 4.574 4.350 -0.000 0.000 0.281 451 T C 0.659 175.340 174.700 -0.032 0.000 0.981 451 T CA -0.242 61.847 62.100 -0.018 0.000 0.955 451 T CB 0.619 69.463 68.868 -0.040 0.000 1.060 451 T HN 0.598 nan 8.240 nan 0.000 0.531 452 D N -0.248 120.138 120.400 -0.023 0.000 2.218 452 D HA -0.034 4.606 4.640 -0.000 0.000 0.204 452 D C 1.902 178.146 176.300 -0.093 0.000 0.976 452 D CA 0.485 54.475 54.000 -0.017 0.000 0.853 452 D CB -0.260 40.542 40.800 0.005 0.000 0.939 452 D HN 0.411 nan 8.370 nan 0.000 0.481 453 L N 0.350 121.470 121.223 -0.171 0.000 2.056 453 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 453 L C 2.172 178.658 176.870 -0.640 0.000 1.078 453 L CA 1.570 56.191 54.840 -0.364 0.000 0.749 453 L CB -0.548 41.283 42.059 -0.381 0.000 0.901 453 L HN 0.095 nan 8.230 nan 0.000 0.433 454 G N -0.331 108.213 108.800 -0.427 0.000 2.414 454 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.215 454 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.215 454 G C 1.583 176.442 174.900 -0.069 0.000 1.188 454 G CA 0.433 45.367 45.100 -0.275 0.000 0.783 454 G HN 0.281 nan 8.290 nan 0.000 0.537 455 L N 0.763 121.968 121.223 -0.030 0.000 2.034 455 L HA -0.198 4.142 4.340 -0.000 0.000 0.217 455 L C 2.944 179.893 176.870 0.132 0.000 1.077 455 L CA 2.014 56.880 54.840 0.044 0.000 0.769 455 L CB -0.347 41.729 42.059 0.029 0.000 0.890 455 L HN 0.364 nan 8.230 nan 0.000 0.435 456 S N -1.712 114.014 115.700 0.044 0.000 2.442 456 S HA -0.163 4.307 4.470 -0.000 0.000 0.236 456 S C 1.709 176.419 174.600 0.183 0.000 1.007 456 S CA 0.753 58.998 58.200 0.075 0.000 0.965 456 S CB -0.180 63.014 63.200 -0.008 0.000 0.773 456 S HN 0.466 nan 8.310 nan 0.000 0.504 457 Y N 0.236 120.607 120.300 0.118 0.000 2.201 457 Y HA -0.023 4.527 4.550 -0.000 0.000 0.292 457 Y C 2.325 178.354 175.900 0.215 0.000 1.119 457 Y CA 0.182 58.408 58.100 0.211 0.000 1.127 457 Y CB -0.100 38.442 38.460 0.137 0.000 1.019 457 Y HN 0.213 nan 8.280 nan 0.000 0.514 458 I N 0.306 121.047 120.570 0.284 0.000 2.181 458 I HA -0.308 3.862 4.170 -0.000 0.000 0.247 458 I C 2.426 178.629 176.117 0.144 0.000 1.081 458 I CA 2.032 63.420 61.300 0.147 0.000 1.340 458 I CB -1.645 36.468 38.000 0.187 0.000 1.036 458 I HN 0.252 nan 8.210 nan 0.000 0.417 459 G N -1.219 107.684 108.800 0.171 0.000 2.777 459 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.211 459 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.211 459 G C 1.443 176.235 174.900 -0.180 0.000 1.149 459 G CA 0.073 45.106 45.100 -0.111 0.000 0.785 459 G HN 0.470 nan 8.290 nan 0.000 0.536 460 Q N -0.841 118.881 119.800 -0.130 0.000 2.282 460 Q HA 0.226 4.566 4.340 -0.000 0.000 0.206 460 Q C -0.168 175.453 176.000 -0.632 0.000 0.878 460 Q CA -0.076 55.497 55.803 -0.383 0.000 0.944 460 Q CB 0.333 28.814 28.738 -0.429 0.000 1.100 460 Q HN 0.602 nan 8.270 nan 0.000 0.509 461 Y N -0.999 119.245 120.300 -0.094 0.000 2.830 461 Y HA 0.192 4.742 4.550 -0.000 0.000 0.248 461 Y C -0.464 175.350 175.900 -0.144 0.000 1.119 461 Y CA -0.570 57.459 58.100 -0.118 0.000 1.164 461 Y CB 1.312 39.689 38.460 -0.138 0.000 1.237 461 Y HN 0.040 nan 8.280 nan 0.000 0.598 462 S N -1.108 114.570 115.700 -0.037 0.000 2.112 462 S HA 0.319 4.789 4.470 -0.000 0.000 0.151 462 S C -2.645 171.931 174.600 -0.041 0.000 1.723 462 S CA -1.198 56.968 58.200 -0.058 0.000 1.263 462 S CB 1.060 64.204 63.200 -0.093 0.000 1.194 462 S HN -0.046 nan 8.310 nan 0.000 0.419 463 P HA 0.007 nan 4.420 nan 0.000 0.214 463 P C 0.570 177.873 177.300 0.004 0.000 1.162 463 P CA 1.156 64.242 63.100 -0.024 0.000 0.874 463 P CB -0.041 31.650 31.700 -0.016 0.000 0.784 464 N N -1.304 117.411 118.700 0.024 0.000 2.322 464 N HA 0.053 4.793 4.740 -0.000 0.000 0.194 464 N C -0.473 175.090 175.510 0.087 0.000 1.126 464 N CA 0.104 53.185 53.050 0.052 0.000 0.845 464 N CB -0.267 38.253 38.487 0.056 0.000 0.976 464 N HN -0.038 nan 8.380 nan 0.000 0.475 465 V N 1.102 121.067 119.914 0.085 0.000 2.405 465 V HA 0.150 4.270 4.120 -0.000 0.000 0.264 465 V C 1.164 177.364 176.094 0.177 0.000 1.048 465 V CA -0.026 62.362 62.300 0.147 0.000 0.966 465 V CB 1.182 33.085 31.823 0.133 0.000 1.015 465 V HN 0.107 nan 8.190 nan 0.000 0.477 466 R N 3.616 124.259 120.500 0.239 0.000 2.265 466 R HA 0.157 4.497 4.340 -0.000 0.000 0.194 466 R C 0.089 176.604 176.300 0.358 0.000 0.931 466 R CA 0.224 56.470 56.100 0.243 0.000 1.032 466 R CB 0.560 30.982 30.300 0.202 0.000 0.980 466 R HN 0.797 nan 8.270 nan 0.000 0.497 467 W N 0.623 122.026 121.300 0.172 0.000 3.138 467 W HA 0.531 5.191 4.660 0.000 0.000 0.331 467 W C -2.165 174.502 176.519 0.247 0.000 1.166 467 W CA -0.985 56.479 57.345 0.199 0.000 1.212 467 W CB 0.918 30.475 29.460 0.163 0.000 1.399 467 W HN -0.216 nan 8.180 nan 0.000 0.514 468 M N 6.291 125.535 119.600 -0.594 0.000 2.378 468 M HA 0.373 4.853 4.480 -0.000 0.000 0.289 468 M C -1.592 174.110 176.300 -0.997 0.000 1.136 468 M CA -1.038 53.839 55.300 -0.704 0.000 0.917 468 M CB 2.588 35.166 32.600 -0.037 0.000 1.669 468 M HN 0.307 nan 8.290 nan 0.000 0.461 469 L N 4.793 125.440 121.223 -0.960 0.000 2.294 469 L HA 0.658 4.998 4.340 -0.000 0.000 0.283 469 L C -1.729 174.996 176.870 -0.243 0.000 1.015 469 L CA -0.242 54.282 54.840 -0.526 0.000 0.831 469 L CB 0.940 42.782 42.059 -0.362 0.000 1.217 469 L HN 0.676 nan 8.230 nan 0.000 0.420 470 L N 5.080 126.205 121.223 -0.163 0.000 2.317 470 L HA 0.698 5.038 4.340 -0.000 0.000 0.281 470 L C 1.071 177.810 176.870 -0.218 0.000 1.024 470 L CA -0.568 54.200 54.840 -0.119 0.000 0.810 470 L CB 1.467 43.460 42.059 -0.111 0.000 1.240 470 L HN 0.727 nan 8.230 nan 0.000 0.427 471 G N 0.890 109.540 108.800 -0.251 0.000 3.152 471 G HA2 0.032 3.992 3.960 -0.000 0.000 0.157 471 G HA3 0.032 3.992 3.960 -0.000 0.000 0.157 471 G C -0.709 173.886 174.900 -0.509 0.000 1.786 471 G CA -0.051 44.671 45.100 -0.630 0.000 1.055 471 G HN 0.443 nan 8.290 nan 0.000 0.528 472 Y N 1.119 121.135 120.300 -0.473 0.000 2.802 472 Y HA 0.407 4.957 4.550 -0.000 0.000 0.330 472 Y C 0.812 176.587 175.900 -0.209 0.000 1.193 472 Y CA -1.076 56.830 58.100 -0.323 0.000 1.427 472 Y CB 0.064 38.370 38.460 -0.256 0.000 1.357 472 Y HN 0.298 nan 8.280 nan 0.000 0.501 473 V N -0.685 119.154 119.914 -0.126 0.000 3.302 473 V HA 1.013 5.133 4.120 -0.000 0.000 0.316 473 V C 0.822 176.860 176.094 -0.093 0.000 1.111 473 V CA -0.506 61.766 62.300 -0.047 0.000 1.029 473 V CB 0.939 32.768 31.823 0.010 0.000 1.170 473 V HN 0.803 nan 8.190 nan 0.000 0.452 474 G N 1.126 109.951 108.800 0.042 0.000 2.682 474 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.256 474 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.256 474 G C 0.151 175.055 174.900 0.006 0.000 1.333 474 G CA 0.740 45.901 45.100 0.102 0.000 0.904 474 G HN 1.527 nan 8.290 nan 0.000 0.569 475 E N -1.957 118.277 120.200 0.057 0.000 2.652 475 E HA 0.237 4.587 4.350 -0.000 0.000 0.197 475 E C 0.945 177.577 176.600 0.054 0.000 0.936 475 E CA 0.519 56.925 56.400 0.010 0.000 1.638 475 E CB 0.360 30.060 29.700 0.001 0.000 1.884 475 E HN 1.187 nan 8.360 nan 0.000 1.005 476 S N 0.657 116.428 115.700 0.120 0.000 2.677 476 S HA 0.319 4.789 4.470 -0.000 0.000 0.304 476 S C 0.076 174.818 174.600 0.237 0.000 1.108 476 S CA -0.535 57.750 58.200 0.141 0.000 0.944 476 S CB 1.829 65.073 63.200 0.072 0.000 1.127 476 S HN -0.172 nan 8.310 nan 0.000 0.511 477 D N 0.794 121.308 120.400 0.190 0.000 2.315 477 D HA -0.078 4.562 4.640 -0.000 0.000 0.211 477 D C 1.471 177.758 176.300 -0.022 0.000 0.977 477 D CA 0.971 55.031 54.000 0.099 0.000 0.894 477 D CB -0.091 40.741 40.800 0.054 0.000 0.910 477 D HN 0.602 nan 8.370 nan 0.000 0.490 478 E N 0.067 120.280 120.200 0.022 0.000 2.150 478 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 478 E C 2.192 178.782 176.600 -0.017 0.000 0.985 478 E CA 0.913 57.311 56.400 -0.004 0.000 0.814 478 E CB -0.188 29.517 29.700 0.009 0.000 0.752 478 E HN 0.388 nan 8.360 nan 0.000 0.466 479 G N 1.679 110.493 108.800 0.023 0.000 2.433 479 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 479 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 479 G C 1.580 176.424 174.900 -0.093 0.000 1.186 479 G CA 0.610 45.728 45.100 0.030 0.000 0.779 479 G HN 0.219 nan 8.290 nan 0.000 0.543 480 L N 0.219 121.207 121.223 -0.391 0.000 2.127 480 L HA -0.033 4.307 4.340 -0.000 0.000 0.211 480 L C 2.643 179.409 176.870 -0.174 0.000 1.089 480 L CA 1.605 56.077 54.840 -0.613 0.000 0.757 480 L CB -0.335 40.968 42.059 -1.261 0.000 0.899 480 L HN 0.098 nan 8.230 nan 0.000 0.434 481 M N -0.591 118.933 119.600 -0.128 0.000 2.062 481 M HA -0.125 4.355 4.480 -0.000 0.000 0.259 481 M C 2.090 178.385 176.300 -0.009 0.000 1.076 481 M CA 1.448 56.715 55.300 -0.055 0.000 1.122 481 M CB -1.436 31.131 32.600 -0.056 0.000 1.312 481 M HN 0.270 nan 8.290 nan 0.000 0.412 482 E N -0.284 119.915 120.200 -0.002 0.000 2.233 482 E HA -0.279 4.071 4.350 -0.000 0.000 0.210 482 E C 1.915 178.535 176.600 0.033 0.000 1.046 482 E CA 1.807 58.213 56.400 0.009 0.000 0.844 482 E CB -0.993 28.718 29.700 0.017 0.000 0.741 482 E HN 0.586 nan 8.360 nan 0.000 0.465 483 F N 2.140 122.036 119.950 -0.090 0.000 2.234 483 F HA -0.119 4.408 4.527 -0.000 0.000 0.296 483 F C 2.584 178.335 175.800 -0.081 0.000 1.089 483 F CA 1.570 59.523 58.000 -0.079 0.000 1.343 483 F CB -0.197 38.750 39.000 -0.089 0.000 1.040 483 F HN -0.015 nan 8.300 nan 0.000 0.498 484 S N 0.426 116.124 115.700 -0.003 0.000 2.474 484 S HA -0.128 4.342 4.470 -0.000 0.000 0.235 484 S C 1.811 176.315 174.600 -0.159 0.000 0.997 484 S CA 0.599 58.741 58.200 -0.097 0.000 0.949 484 S CB -0.756 62.434 63.200 -0.017 0.000 0.766 484 S HN 0.535 nan 8.310 nan 0.000 0.517 485 R N 0.988 121.403 120.500 -0.141 0.000 2.323 485 R HA 0.230 4.570 4.340 -0.000 0.000 0.198 485 R C 1.417 177.610 176.300 -0.178 0.000 0.988 485 R CA 0.517 56.537 56.100 -0.133 0.000 1.041 485 R CB -0.133 30.110 30.300 -0.094 0.000 0.926 485 R HN 0.557 nan 8.270 nan 0.000 0.476 486 G N -0.565 108.071 108.800 -0.274 0.000 3.099 486 G HA2 0.183 4.143 3.960 -0.000 0.000 0.151 486 G HA3 0.183 4.143 3.960 -0.000 0.000 0.151 486 G C -0.243 174.471 174.900 -0.311 0.000 1.265 486 G CA -0.196 44.729 45.100 -0.292 0.000 0.981 486 G HN 0.288 nan 8.290 nan 0.000 0.601 487 C N 0.504 119.611 119.300 -0.322 0.000 3.744 487 C HA -0.093 4.367 4.460 -0.000 0.000 0.290 487 C C -0.792 174.113 174.990 -0.142 0.000 1.385 487 C CA -0.232 58.633 59.018 -0.254 0.000 2.099 487 C CB -2.188 25.312 27.740 -0.400 0.000 1.359 487 C HN 0.529 nan 8.230 nan 0.000 0.629 488 P HA -0.147 nan 4.420 nan 0.000 0.218 488 P C 0.830 178.117 177.300 -0.022 0.000 1.146 488 P CA 1.765 64.827 63.100 -0.063 0.000 0.820 488 P CB -0.008 31.658 31.700 -0.058 0.000 0.778 489 N N -2.238 116.461 118.700 -0.002 0.000 2.170 489 N HA 0.140 4.880 4.740 -0.000 0.000 0.222 489 N C -0.171 175.388 175.510 0.081 0.000 1.218 489 N CA -0.327 52.748 53.050 0.042 0.000 0.889 489 N CB 0.285 38.802 38.487 0.050 0.000 1.083 489 N HN 0.054 nan 8.380 nan 0.000 0.520 490 L N 2.032 123.296 121.223 0.069 0.000 2.477 490 L HA 0.006 4.345 4.340 -0.000 0.000 0.272 490 L C 0.960 177.935 176.870 0.175 0.000 1.157 490 L CA 0.588 55.505 54.840 0.127 0.000 0.889 490 L CB 0.716 42.831 42.059 0.093 0.000 1.158 490 L HN 0.340 nan 8.230 nan 0.000 0.473 491 Q N 2.938 122.880 119.800 0.238 0.000 2.548 491 Q HA 0.112 4.451 4.340 -0.000 0.000 0.230 491 Q C -0.142 176.086 176.000 0.380 0.000 0.899 491 Q CA 0.066 56.040 55.803 0.285 0.000 0.936 491 Q CB 0.455 29.346 28.738 0.256 0.000 1.114 491 Q HN 0.439 nan 8.270 nan 0.000 0.606 492 K N 1.492 122.143 120.400 0.418 0.000 2.211 492 K HA 0.434 4.754 4.320 -0.000 0.000 0.275 492 K C -1.264 175.609 176.600 0.454 0.000 1.024 492 K CA -0.269 56.345 56.287 0.545 0.000 0.887 492 K CB 1.625 34.493 32.500 0.614 0.000 1.084 492 K HN -0.032 nan 8.250 nan 0.000 0.463 493 L N 2.199 123.679 121.223 0.427 0.000 2.376 493 L HA 0.398 4.738 4.340 -0.000 0.000 0.275 493 L C -1.320 175.713 176.870 0.271 0.000 0.987 493 L CA -0.094 54.904 54.840 0.262 0.000 0.828 493 L CB 1.458 43.663 42.059 0.243 0.000 1.249 493 L HN 0.630 nan 8.230 nan 0.000 0.409 494 E N 6.200 126.489 120.200 0.148 0.000 2.191 494 E HA 0.532 4.881 4.350 -0.000 0.000 0.263 494 E C -1.211 175.419 176.600 0.050 0.000 0.881 494 E CA -0.527 56.013 56.400 0.234 0.000 0.757 494 E CB 2.221 32.150 29.700 0.382 0.000 1.147 494 E HN 0.585 nan 8.360 nan 0.000 0.414 495 M N 2.552 122.154 119.600 0.004 0.000 2.253 495 M HA 0.390 4.870 4.480 -0.000 0.000 0.314 495 M C -0.531 175.652 176.300 -0.196 0.000 1.019 495 M CA -0.597 54.637 55.300 -0.110 0.000 0.932 495 M CB 2.121 34.666 32.600 -0.091 0.000 1.606 495 M HN 0.128 nan 8.290 nan 0.000 0.430 496 R N 1.390 121.723 120.500 -0.278 0.000 2.599 496 R HA 0.595 4.935 4.340 -0.000 0.000 0.295 496 R C -0.247 175.637 176.300 -0.695 0.000 0.963 496 R CA -0.036 55.850 56.100 -0.356 0.000 0.883 496 R CB 1.991 32.200 30.300 -0.151 0.000 1.171 496 R HN 0.926 nan 8.270 nan 0.000 0.450 497 G N 2.513 110.914 108.800 -0.664 0.000 2.374 497 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.289 497 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.289 497 G C -0.469 173.927 174.900 -0.840 0.000 1.004 497 G CA 0.242 44.765 45.100 -0.960 0.000 1.292 497 G HN 0.563 nan 8.290 nan 0.000 0.502 498 C N 0.785 119.777 119.300 -0.513 0.000 2.498 498 C HA 0.481 4.941 4.460 -0.000 0.000 0.316 498 C C 2.036 176.721 174.990 -0.507 0.000 1.209 498 C CA -0.235 58.427 59.018 -0.593 0.000 1.518 498 C CB 0.799 28.186 27.740 -0.589 0.000 2.147 498 C HN 1.076 nan 8.230 nan 0.000 0.483 499 C N 0.377 119.308 119.300 -0.616 0.000 2.466 499 C HA 0.120 4.580 4.460 -0.000 0.000 0.283 499 C C 1.239 176.112 174.990 -0.195 0.000 1.472 499 C CA -0.358 58.452 59.018 -0.346 0.000 1.765 499 C CB -2.412 25.169 27.740 -0.264 0.000 1.724 499 C HN 0.743 nan 8.230 nan 0.000 0.560 500 F N 2.832 122.762 119.950 -0.033 0.000 2.579 500 F HA 0.293 4.820 4.527 -0.000 0.000 0.311 500 F C 1.280 177.096 175.800 0.025 0.000 1.272 500 F CA 0.395 58.384 58.000 -0.018 0.000 1.335 500 F CB 0.255 39.228 39.000 -0.044 0.000 1.191 500 F HN 0.254 nan 8.300 nan 0.000 0.575 501 S N -1.317 114.535 115.700 0.252 0.000 2.634 501 S HA 0.307 4.777 4.470 -0.000 0.000 0.296 501 S C 0.197 174.885 174.600 0.146 0.000 1.104 501 S CA -0.914 57.391 58.200 0.175 0.000 0.920 501 S CB 1.826 65.094 63.200 0.113 0.000 1.111 501 S HN 0.653 nan 8.310 nan 0.000 0.493 502 E N 1.071 121.372 120.200 0.168 0.000 2.097 502 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 502 E C 2.231 178.858 176.600 0.045 0.000 1.000 502 E CA 1.552 58.016 56.400 0.106 0.000 0.804 502 E CB -0.224 29.560 29.700 0.140 0.000 0.740 502 E HN 0.680 nan 8.360 nan 0.000 0.454 503 R N 1.083 121.610 120.500 0.044 0.000 2.115 503 R HA -0.002 4.338 4.340 -0.000 0.000 0.230 503 R C 1.992 178.293 176.300 0.003 0.000 1.111 503 R CA 1.364 57.476 56.100 0.020 0.000 0.976 503 R CB -0.359 29.952 30.300 0.019 0.000 0.870 503 R HN 0.121 nan 8.270 nan 0.000 0.445 504 A N 1.925 124.748 122.820 0.006 0.000 1.872 504 A HA 0.052 4.372 4.320 -0.000 0.000 0.214 504 A C 2.406 179.951 177.584 -0.065 0.000 1.187 504 A CA 0.971 52.989 52.037 -0.031 0.000 0.614 504 A CB -0.355 18.630 19.000 -0.026 0.000 0.826 504 A HN 0.249 nan 8.150 nan 0.000 0.442 505 I N 0.076 120.617 120.570 -0.048 0.000 2.099 505 I HA -0.311 3.859 4.170 -0.000 0.000 0.239 505 I C 3.015 179.108 176.117 -0.041 0.000 1.066 505 I CA 1.238 62.500 61.300 -0.063 0.000 1.324 505 I CB -0.546 37.414 38.000 -0.067 0.000 1.037 505 I HN 0.341 nan 8.210 nan 0.000 0.401 506 A N 0.877 123.682 122.820 -0.025 0.000 1.927 506 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 506 A C 2.535 180.099 177.584 -0.033 0.000 1.185 506 A CA 2.388 54.417 52.037 -0.013 0.000 0.639 506 A CB -1.007 17.993 19.000 -0.001 0.000 0.820 506 A HN 0.501 nan 8.150 nan 0.000 0.451 507 A N -0.311 122.487 122.820 -0.037 0.000 1.877 507 A HA 0.143 4.463 4.320 -0.000 0.000 0.216 507 A C 2.561 180.113 177.584 -0.052 0.000 1.186 507 A CA 2.333 54.343 52.037 -0.045 0.000 0.620 507 A CB -1.194 17.782 19.000 -0.042 0.000 0.822 507 A HN 1.181 nan 8.150 nan 0.000 0.443 508 A N -0.384 122.403 122.820 -0.054 0.000 1.859 508 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 508 A C 2.250 179.816 177.584 -0.030 0.000 1.198 508 A CA 2.195 54.209 52.037 -0.038 0.000 0.629 508 A CB -1.302 17.671 19.000 -0.045 0.000 0.830 508 A HN 0.489 nan 8.150 nan 0.000 0.446 509 V N -0.384 119.512 119.914 -0.031 0.000 2.231 509 V HA -0.328 3.792 4.120 -0.000 0.000 0.250 509 V C 2.675 178.691 176.094 -0.130 0.000 1.058 509 V CA 2.724 64.987 62.300 -0.062 0.000 1.022 509 V CB -1.567 30.221 31.823 -0.059 0.000 0.640 509 V HN 0.658 nan 8.190 nan 0.000 0.445 510 T N -0.691 113.786 114.554 -0.128 0.000 2.531 510 T HA -0.368 3.982 4.350 -0.000 0.000 0.261 510 T C 1.993 176.633 174.700 -0.101 0.000 1.141 510 T CA 2.460 64.484 62.100 -0.127 0.000 1.176 510 T CB -0.361 68.454 68.868 -0.089 0.000 0.863 510 T HN 0.287 nan 8.240 nan 0.000 0.424 511 K N 0.803 121.156 120.400 -0.078 0.000 2.020 511 K HA 0.021 4.341 4.320 -0.000 0.000 0.212 511 K C 0.642 177.196 176.600 -0.078 0.000 1.050 511 K CA 0.783 57.027 56.287 -0.072 0.000 0.929 511 K CB -0.957 31.503 32.500 -0.067 0.000 0.714 511 K HN 0.369 nan 8.250 nan 0.000 0.443 512 L N 1.922 123.100 121.223 -0.076 0.000 2.601 512 L HA -0.040 4.300 4.340 -0.000 0.000 0.277 512 L C -1.571 175.266 176.870 -0.056 0.000 1.219 512 L CA -0.806 53.992 54.840 -0.070 0.000 0.915 512 L CB 0.159 42.197 42.059 -0.035 0.000 1.160 512 L HN 0.184 nan 8.230 nan 0.000 0.494 513 P HA 0.027 nan 4.420 nan 0.000 0.252 513 P C 0.808 178.108 177.300 0.001 0.000 1.218 513 P CA 0.231 63.313 63.100 -0.030 0.000 0.807 513 P CB 0.712 32.390 31.700 -0.037 0.000 1.072 514 S N -1.284 114.433 115.700 0.028 0.000 2.893 514 S HA 0.254 4.724 4.470 -0.000 0.000 0.258 514 S C 0.002 174.686 174.600 0.140 0.000 1.034 514 S CA -0.421 57.820 58.200 0.069 0.000 1.167 514 S CB -0.350 62.885 63.200 0.058 0.000 1.137 514 S HN -0.038 nan 8.310 nan 0.000 0.650 515 L N 3.475 124.786 121.223 0.148 0.000 2.313 515 L HA 0.501 4.841 4.340 -0.000 0.000 0.282 515 L C 0.899 178.012 176.870 0.405 0.000 1.092 515 L CA 0.047 55.029 54.840 0.237 0.000 0.831 515 L CB 0.621 42.782 42.059 0.170 0.000 1.159 515 L HN 0.247 nan 8.230 nan 0.000 0.442 516 R N 3.513 124.325 120.500 0.520 0.000 2.335 516 R HA 0.200 4.540 4.340 -0.000 0.000 0.210 516 R C -0.632 176.141 176.300 0.788 0.000 0.892 516 R CA -0.234 56.315 56.100 0.747 0.000 1.048 516 R CB 0.122 30.770 30.300 0.579 0.000 1.067 516 R HN 0.542 nan 8.270 nan 0.000 0.524 517 Y N 0.631 121.233 120.300 0.504 0.000 2.441 517 Y HA 0.529 5.079 4.550 -0.000 0.000 0.334 517 Y C -2.062 174.077 175.900 0.398 0.000 1.061 517 Y CA -1.577 56.768 58.100 0.408 0.000 1.032 517 Y CB 2.139 40.794 38.460 0.325 0.000 1.266 517 Y HN 0.027 nan 8.280 nan 0.000 0.441 518 L N 7.436 128.670 121.223 0.019 0.000 2.439 518 L HA 0.528 4.868 4.340 -0.000 0.000 0.270 518 L C -2.297 174.552 176.870 -0.036 0.000 0.972 518 L CA -0.405 54.493 54.840 0.097 0.000 0.836 518 L CB 1.386 43.574 42.059 0.215 0.000 1.255 518 L HN 0.766 nan 8.230 nan 0.000 0.404 519 W N 7.709 128.930 121.300 -0.131 0.000 2.554 519 W HA 0.723 5.383 4.660 0.000 0.000 0.324 519 W C -2.355 174.121 176.519 -0.071 0.000 1.018 519 W CA -0.729 56.542 57.345 -0.122 0.000 1.243 519 W CB 1.839 31.270 29.460 -0.047 0.000 1.345 519 W HN 0.349 nan 8.180 nan 0.000 0.441 520 V N 6.261 125.765 119.914 -0.683 0.000 2.577 520 V HA 0.283 4.403 4.120 -0.000 0.000 0.303 520 V C -0.553 175.063 176.094 -0.796 0.000 1.042 520 V CA -0.519 61.431 62.300 -0.584 0.000 0.872 520 V CB 1.975 33.574 31.823 -0.373 0.000 0.998 520 V HN 0.579 nan 8.190 nan 0.000 0.423 521 Q N 3.500 122.889 119.800 -0.684 0.000 2.321 521 Q HA 0.637 4.977 4.340 -0.000 0.000 0.270 521 Q C -0.112 175.732 176.000 -0.260 0.000 1.032 521 Q CA 0.077 55.531 55.803 -0.582 0.000 0.784 521 Q CB 2.022 30.274 28.738 -0.811 0.000 1.264 521 Q HN 1.260 nan 8.270 nan 0.000 0.448 522 G N 3.540 112.306 108.800 -0.057 0.000 2.830 522 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.298 522 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.298 522 G C -1.513 173.400 174.900 0.021 0.000 1.031 522 G CA -0.048 45.009 45.100 -0.071 0.000 1.179 522 G HN 0.785 nan 8.290 nan 0.000 0.527 523 Y N -0.511 119.713 120.300 -0.127 0.000 2.401 523 Y HA 0.729 5.279 4.550 -0.000 0.000 0.330 523 Y C 0.151 176.018 175.900 -0.055 0.000 1.071 523 Y CA -2.202 55.844 58.100 -0.090 0.000 1.049 523 Y CB 1.174 39.595 38.460 -0.065 0.000 1.239 523 Y HN 0.542 nan 8.280 nan 0.000 0.437 524 R N 2.902 123.383 120.500 -0.032 0.000 3.563 524 R HA 0.076 4.416 4.340 -0.000 0.000 0.297 524 R C 0.513 176.773 176.300 -0.065 0.000 0.645 524 R CA 0.877 56.946 56.100 -0.051 0.000 1.048 524 R CB -0.217 30.095 30.300 0.021 0.000 0.914 524 R HN 0.977 nan 8.270 nan 0.000 0.358 525 A N 3.220 125.910 122.820 -0.216 0.000 2.398 525 A HA 0.384 4.704 4.320 -0.000 0.000 0.264 525 A C -0.212 177.352 177.584 -0.033 0.000 1.564 525 A CA 0.116 51.992 52.037 -0.269 0.000 0.828 525 A CB 0.507 19.321 19.000 -0.310 0.000 1.444 525 A HN 0.658 nan 8.150 nan 0.000 0.565 526 S N -2.332 113.358 115.700 -0.017 0.000 2.556 526 S HA 0.424 4.894 4.470 -0.000 0.000 0.280 526 S C -1.083 173.520 174.600 0.005 0.000 1.141 526 S CA -0.542 57.668 58.200 0.016 0.000 0.883 526 S CB 1.269 64.503 63.200 0.057 0.000 1.103 526 S HN 0.740 nan 8.310 nan 0.000 0.453 527 M N 3.175 122.776 119.600 0.001 0.000 2.084 527 M HA 0.404 4.884 4.480 -0.000 0.000 0.351 527 M C -0.039 176.268 176.300 0.013 0.000 1.240 527 M CA 0.590 55.890 55.300 0.001 0.000 1.083 527 M CB -0.446 32.150 32.600 -0.006 0.000 1.593 527 M HN 0.766 nan 8.290 nan 0.000 0.463 528 T N 3.745 118.311 114.554 0.020 0.000 3.110 528 T HA -0.106 4.244 4.350 -0.000 0.000 0.445 528 T C 0.122 174.838 174.700 0.026 0.000 0.772 528 T CA 0.864 62.978 62.100 0.024 0.000 2.271 528 T CB -1.949 66.929 68.868 0.016 0.000 1.657 528 T HN 1.046 nan 8.240 nan 0.000 0.594 529 G N 1.461 110.285 108.800 0.039 0.000 2.422 529 G HA2 0.512 4.472 3.960 -0.000 0.000 0.317 529 G HA3 0.512 4.472 3.960 -0.000 0.000 0.317 529 G C 0.374 175.297 174.900 0.039 0.000 1.210 529 G CA -0.752 44.373 45.100 0.041 0.000 0.930 529 G HN 0.459 nan 8.290 nan 0.000 0.468 530 Q N 1.906 121.723 119.800 0.029 0.000 2.414 530 Q HA 0.056 4.396 4.340 -0.000 0.000 0.286 530 Q C 0.234 176.250 176.000 0.026 0.000 0.941 530 Q CA -0.004 55.813 55.803 0.024 0.000 0.951 530 Q CB 0.669 29.417 28.738 0.017 0.000 1.188 530 Q HN 0.662 nan 8.270 nan 0.000 0.418 531 D N 0.164 120.585 120.400 0.035 0.000 2.197 531 D HA 0.012 4.652 4.640 -0.000 0.000 0.212 531 D C 1.887 178.203 176.300 0.028 0.000 0.963 531 D CA 0.323 54.343 54.000 0.033 0.000 0.864 531 D CB 0.460 41.288 40.800 0.046 0.000 1.009 531 D HN 0.276 nan 8.370 nan 0.000 0.479 532 L N 0.924 122.166 121.223 0.031 0.000 2.081 532 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 532 L C 2.628 179.516 176.870 0.029 0.000 1.080 532 L CA 0.730 55.583 54.840 0.021 0.000 0.754 532 L CB -0.384 41.681 42.059 0.011 0.000 0.893 532 L HN 0.108 nan 8.230 nan 0.000 0.433 533 M N -0.012 119.604 119.600 0.027 0.000 2.108 533 M HA -0.267 4.213 4.480 -0.000 0.000 0.257 533 M C 1.903 178.217 176.300 0.024 0.000 1.071 533 M CA 1.744 57.060 55.300 0.027 0.000 1.093 533 M CB -1.107 31.504 32.600 0.019 0.000 1.345 533 M HN 0.449 nan 8.290 nan 0.000 0.403 534 Q N -0.612 119.197 119.800 0.014 0.000 2.425 534 Q HA -0.030 4.310 4.340 -0.000 0.000 0.213 534 Q C 1.345 177.342 176.000 -0.006 0.000 0.950 534 Q CA 0.508 56.313 55.803 0.003 0.000 0.979 534 Q CB -0.760 27.977 28.738 -0.002 0.000 0.997 534 Q HN 0.664 nan 8.270 nan 0.000 0.509 535 M N -1.063 118.543 119.600 0.010 0.000 2.251 535 M HA 0.343 4.823 4.480 -0.000 0.000 0.308 535 M C -0.098 176.212 176.300 0.017 0.000 0.967 535 M CA -0.007 55.292 55.300 -0.002 0.000 1.103 535 M CB 0.900 33.535 32.600 0.059 0.000 1.815 535 M HN 0.098 nan 8.290 nan 0.000 0.623 536 A N 2.658 125.517 122.820 0.065 0.000 2.505 536 A HA 0.388 4.708 4.320 -0.000 0.000 0.271 536 A C -0.191 177.426 177.584 0.055 0.000 1.112 536 A CA 0.016 52.118 52.037 0.108 0.000 0.781 536 A CB -0.151 18.890 19.000 0.069 0.000 1.059 536 A HN 0.658 nan 8.150 nan 0.000 0.508 537 R N 2.511 123.058 120.500 0.079 0.000 2.843 537 R HA 0.502 4.842 4.340 -0.000 0.000 0.232 537 R C -1.581 174.778 176.300 0.099 0.000 1.305 537 R CA -1.484 54.648 56.100 0.054 0.000 1.096 537 R CB -0.041 30.271 30.300 0.021 0.000 1.455 537 R HN 0.418 nan 8.270 nan 0.000 0.520 538 P HA -0.075 nan 4.420 nan 0.000 0.208 538 P C 0.290 177.591 177.300 0.001 0.000 1.203 538 P CA 1.189 64.255 63.100 -0.056 0.000 0.920 538 P CB 0.032 31.622 31.700 -0.184 0.000 0.769 539 Y N -2.174 118.316 120.300 0.317 0.000 2.488 539 Y HA 0.016 4.566 4.550 0.000 0.000 0.319 539 Y C 0.729 176.848 175.900 0.366 0.000 1.212 539 Y CA -0.362 57.949 58.100 0.351 0.000 1.273 539 Y CB -0.410 38.279 38.460 0.382 0.000 1.074 539 Y HN 0.135 nan 8.280 nan 0.000 0.503 540 W N 2.429 123.750 121.300 0.035 0.000 2.291 540 W HA 0.264 4.924 4.660 -0.000 0.000 0.312 540 W C -1.231 175.150 176.519 -0.230 0.000 1.061 540 W CA -0.978 56.203 57.345 -0.274 0.000 1.296 540 W CB 0.696 29.913 29.460 -0.406 0.000 1.223 540 W HN -0.010 nan 8.180 nan 0.000 0.421 541 N N 5.814 124.127 118.700 -0.644 0.000 2.455 541 N HA 0.266 5.006 4.740 -0.000 0.000 0.280 541 N C -0.494 174.453 175.510 -0.937 0.000 1.055 541 N CA -0.316 52.298 53.050 -0.726 0.000 0.961 541 N CB 1.658 39.604 38.487 -0.902 0.000 1.121 541 N HN 0.436 nan 8.380 nan 0.000 0.476 542 I N -1.434 118.810 120.570 -0.543 0.000 2.474 542 I HA 0.566 4.736 4.170 -0.000 0.000 0.294 542 I C -0.464 175.536 176.117 -0.194 0.000 1.005 542 I CA -0.489 60.576 61.300 -0.392 0.000 1.113 542 I CB 1.558 39.421 38.000 -0.229 0.000 1.289 542 I HN 0.383 nan 8.210 nan 0.000 0.436 543 E N 6.627 126.781 120.200 -0.078 0.000 2.343 543 E HA 0.640 4.990 4.350 -0.000 0.000 0.270 543 E C -1.404 175.241 176.600 0.076 0.000 0.895 543 E CA -0.963 55.465 56.400 0.047 0.000 0.767 543 E CB 2.666 32.478 29.700 0.186 0.000 1.248 543 E HN 0.543 nan 8.360 nan 0.000 0.440 544 L N 2.278 123.554 121.223 0.089 0.000 2.329 544 L HA 0.555 4.895 4.340 -0.000 0.000 0.279 544 L C -0.254 176.692 176.870 0.127 0.000 1.014 544 L CA -0.935 53.965 54.840 0.100 0.000 0.814 544 L CB 1.331 43.440 42.059 0.085 0.000 1.257 544 L HN 0.496 nan 8.230 nan 0.000 0.424 545 I N 3.274 123.918 120.570 0.123 0.000 2.557 545 I HA 0.275 4.445 4.170 -0.000 0.000 0.277 545 I C -2.183 173.934 176.117 -0.000 0.000 1.106 545 I CA -1.654 59.680 61.300 0.057 0.000 1.180 545 I CB 0.965 38.964 38.000 -0.002 0.000 1.392 545 I HN 0.283 nan 8.210 nan 0.000 0.506 546 P HA 0.044 nan 4.420 nan 0.000 0.286 546 P C -0.259 177.038 177.300 -0.005 0.000 1.278 546 P CA -0.100 63.014 63.100 0.024 0.000 0.785 546 P CB 0.439 32.153 31.700 0.025 0.000 1.269 547 S N 0.201 115.896 115.700 -0.007 0.000 2.473 547 S HA 0.299 4.769 4.470 -0.000 0.000 0.312 547 S C 0.181 174.778 174.600 -0.006 0.000 1.087 547 S CA -0.448 57.745 58.200 -0.011 0.000 1.077 547 S CB -0.382 62.800 63.200 -0.030 0.000 1.065 547 S HN 0.218 nan 8.310 nan 0.000 0.510 566 A N 1.792 124.647 122.820 0.057 0.000 2.466 566 A HA 0.446 4.766 4.320 -0.000 0.000 0.238 566 A C -0.207 177.609 177.584 0.386 0.000 1.074 566 A CA 0.251 52.385 52.037 0.161 0.000 0.774 566 A CB -0.004 19.021 19.000 0.041 0.000 1.015 566 A HN 0.636 nan 8.150 nan 0.000 0.498 567 H N -0.254 118.829 119.070 0.022 0.000 2.616 567 H HA 0.625 5.181 4.556 -0.000 0.000 0.353 567 H C -1.039 174.191 175.328 -0.163 0.000 1.170 567 H CA -0.759 55.160 56.048 -0.214 0.000 1.212 567 H CB 1.804 31.357 29.762 -0.348 0.000 1.653 567 H HN 0.492 nan 8.280 nan 0.000 0.537 568 I N 2.913 123.325 120.570 -0.264 0.000 2.468 568 I HA 0.130 4.300 4.170 -0.000 0.000 0.285 568 I C -1.283 174.736 176.117 -0.162 0.000 1.039 568 I CA -0.532 60.638 61.300 -0.217 0.000 1.074 568 I CB 2.111 39.875 38.000 -0.393 0.000 1.228 568 I HN 0.187 nan 8.210 nan 0.000 0.436 569 L N 7.191 128.436 121.223 0.036 0.000 2.365 569 L HA 0.960 5.300 4.340 -0.000 0.000 0.273 569 L C -0.939 175.925 176.870 -0.010 0.000 1.000 569 L CA -0.021 54.896 54.840 0.129 0.000 0.819 569 L CB 1.780 44.080 42.059 0.401 0.000 1.284 569 L HN 0.665 nan 8.230 nan 0.000 0.418 570 A N 4.025 126.745 122.820 -0.167 0.000 2.488 570 A HA 0.742 5.062 4.320 -0.000 0.000 0.295 570 A C -1.921 175.171 177.584 -0.821 0.000 1.045 570 A CA -0.365 51.293 52.037 -0.633 0.000 0.703 570 A CB 0.929 19.498 19.000 -0.718 0.000 1.271 570 A HN 0.858 nan 8.150 nan 0.000 0.400 571 Y N -0.902 118.774 120.300 -1.041 0.000 2.597 571 Y HA 0.745 5.295 4.550 -0.000 0.000 0.340 571 Y C -1.108 174.621 175.900 -0.285 0.000 1.097 571 Y CA -1.596 56.219 58.100 -0.474 0.000 1.037 571 Y CB 0.723 39.208 38.460 0.042 0.000 1.305 571 Y HN 0.556 nan 8.280 nan 0.000 0.463 572 Y N 1.353 121.921 120.300 0.447 0.000 2.336 572 Y HA 0.487 5.037 4.550 -0.000 0.000 0.331 572 Y C 0.604 176.751 175.900 0.413 0.000 1.211 572 Y CA 0.642 59.016 58.100 0.458 0.000 1.346 572 Y CB 1.592 40.332 38.460 0.465 0.000 1.271 572 Y HN 0.717 nan 8.280 nan 0.000 0.538 573 S N 3.244 119.256 115.700 0.519 0.000 2.562 573 S HA 0.347 4.817 4.470 -0.000 0.000 0.274 573 S C -1.114 173.690 174.600 0.339 0.000 1.160 573 S CA -0.833 57.624 58.200 0.428 0.000 0.933 573 S CB 0.415 63.899 63.200 0.474 0.000 1.100 573 S HN 0.672 nan 8.310 nan 0.000 0.468 574 L N 4.073 125.423 121.223 0.212 0.000 2.672 574 L HA 0.488 4.828 4.340 -0.000 0.000 0.238 574 L C 1.157 178.129 176.870 0.171 0.000 1.392 574 L CA 0.381 55.283 54.840 0.103 0.000 1.238 574 L CB -0.469 41.586 42.059 -0.007 0.000 1.548 574 L HN 0.863 nan 8.230 nan 0.000 0.423 575 A N -0.708 122.248 122.820 0.226 0.000 2.604 575 A HA 0.511 4.831 4.320 -0.000 0.000 0.157 575 A C 0.830 178.508 177.584 0.157 0.000 1.680 575 A CA 0.331 52.477 52.037 0.181 0.000 1.227 575 A CB -0.074 19.041 19.000 0.192 0.000 1.493 575 A HN 0.595 nan 8.150 nan 0.000 0.453 576 G N 0.546 109.450 108.800 0.175 0.000 2.741 576 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.222 576 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.222 576 G C -0.162 174.768 174.900 0.051 0.000 1.364 576 G CA -0.016 45.144 45.100 0.099 0.000 0.866 576 G HN 1.592 nan 8.290 nan 0.000 0.555 577 Q N 0.084 119.880 119.800 -0.006 0.000 2.386 577 Q HA 0.493 4.833 4.340 -0.000 0.000 0.282 577 Q C 0.976 176.945 176.000 -0.051 0.000 1.050 577 Q CA 0.287 56.062 55.803 -0.047 0.000 0.918 577 Q CB 0.598 29.303 28.738 -0.055 0.000 1.266 577 Q HN 0.709 nan 8.270 nan 0.000 0.423 578 R N 1.026 121.453 120.500 -0.121 0.000 2.995 578 R HA 0.070 4.410 4.340 -0.000 0.000 0.287 578 R C 0.844 177.060 176.300 -0.140 0.000 1.168 578 R CA 0.653 56.621 56.100 -0.220 0.000 1.183 578 R CB 0.053 30.047 30.300 -0.509 0.000 1.157 578 R HN 0.745 nan 8.270 nan 0.000 0.577 579 T N -0.435 114.038 114.554 -0.136 0.000 3.019 579 T HA -0.046 4.304 4.350 -0.000 0.000 0.247 579 T C 0.407 175.067 174.700 -0.067 0.000 0.992 579 T CA 0.485 62.539 62.100 -0.076 0.000 1.036 579 T CB 0.118 68.960 68.868 -0.043 0.000 1.063 579 T HN 0.728 nan 8.240 nan 0.000 0.476 580 D N 0.818 121.178 120.400 -0.067 0.000 2.323 580 D HA 0.058 4.698 4.640 -0.000 0.000 0.239 580 D C 0.226 176.513 176.300 -0.022 0.000 1.129 580 D CA -0.258 53.757 54.000 0.026 0.000 0.865 580 D CB -1.512 39.430 40.800 0.236 0.000 0.913 580 D HN 0.194 nan 8.370 nan 0.000 0.517 581 C N 1.839 121.070 119.300 -0.115 0.000 2.465 581 C HA 0.055 4.515 4.460 -0.000 0.000 0.402 581 C C -1.320 173.658 174.990 -0.020 0.000 1.448 581 C CA -0.754 58.199 59.018 -0.109 0.000 1.589 581 C CB -0.367 27.320 27.740 -0.088 0.000 2.535 581 C HN 0.362 nan 8.230 nan 0.000 0.600 582 P HA 0.165 nan 4.420 nan 0.000 0.288 582 P C 0.894 178.222 177.300 0.046 0.000 1.291 582 P CA 0.192 63.325 63.100 0.056 0.000 0.766 582 P CB 0.291 32.050 31.700 0.098 0.000 1.242 583 T N -5.102 109.483 114.554 0.052 0.000 3.057 583 T HA -0.011 4.339 4.350 -0.000 0.000 0.254 583 T C 1.295 176.024 174.700 0.049 0.000 1.094 583 T CA 0.650 62.774 62.100 0.041 0.000 1.088 583 T CB -1.110 67.779 68.868 0.035 0.000 0.934 583 T HN 0.210 nan 8.240 nan 0.000 0.497 584 T N 1.990 116.584 114.554 0.066 0.000 3.085 584 T HA 0.187 4.536 4.350 -0.000 0.000 0.263 584 T C 0.540 175.292 174.700 0.087 0.000 1.127 584 T CA 0.242 62.385 62.100 0.072 0.000 1.103 584 T CB -0.154 68.770 68.868 0.093 0.000 0.921 584 T HN 0.251 nan 8.240 nan 0.000 0.510 585 V N 1.433 121.404 119.914 0.095 0.000 2.495 585 V HA 0.473 4.593 4.120 -0.000 0.000 0.298 585 V C 0.030 176.166 176.094 0.071 0.000 1.031 585 V CA -1.258 61.111 62.300 0.114 0.000 0.871 585 V CB 2.244 34.163 31.823 0.159 0.000 0.988 585 V HN 0.100 nan 8.190 nan 0.000 0.432 586 R N 2.149 122.690 120.500 0.069 0.000 2.643 586 R HA 0.805 5.145 4.340 -0.000 0.000 0.272 586 R C -1.426 174.894 176.300 0.034 0.000 0.995 586 R CA -0.601 55.524 56.100 0.043 0.000 1.032 586 R CB 2.064 32.389 30.300 0.042 0.000 1.126 586 R HN 0.516 nan 8.270 nan 0.000 0.505 587 V N 4.744 124.663 119.914 0.009 0.000 2.357 587 V HA 0.225 4.345 4.120 -0.000 0.000 0.281 587 V C -0.088 175.994 176.094 -0.021 0.000 1.015 587 V CA -0.646 61.646 62.300 -0.014 0.000 0.827 587 V CB 1.461 33.266 31.823 -0.030 0.000 1.018 587 V HN 0.663 nan 8.190 nan 0.000 0.432 588 L N 5.175 126.383 121.223 -0.025 0.000 2.584 588 L HA 0.146 4.486 4.340 -0.000 0.000 0.272 588 L C 0.316 177.171 176.870 -0.025 0.000 1.195 588 L CA 0.642 55.471 54.840 -0.019 0.000 0.920 588 L CB 0.343 42.392 42.059 -0.016 0.000 1.173 588 L HN 0.565 nan 8.230 nan 0.000 0.489 589 K N 0.000 120.392 120.400 -0.014 0.000 2.780 589 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 589 K CA 0.000 56.279 56.287 -0.014 0.000 0.838 589 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 589 K HN 0.000 nan 8.250 nan 0.000 0.543