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_F DATA FIRST_RESID 12 DATA SEQUENCE SCVATVDDVI EQVMTYITDP KDRDSASLVC RRWFKIDSET REHVTMALCY DATA SEQUENCE TATPDRLSRR FPNLRSLKLK GKPRAAMFNL IPENWGGYVT PWVTEISNNL DATA SEQUENCE RQLKSVHFRR MIVSDLDLDR LAKARADDLE TLKLDKCSGF TTDGLLSIVT DATA SEQUENCE HCRKIKTLLM EESSFSEKDG KWLHELAQHN TSLEVLNFYM TEFAKISPKD DATA SEQUENCE LETIARNCRS LVSVKVGDFE ILELVGFFKA AANLEEFCGG SLNEDIGMPE DATA SEQUENCE KYMNLVFPRK LCRLGLSYMG PNEMPILFPF AAQIRKLDLL YALLETEDHC DATA SEQUENCE TLIQKCPNLE VLETRNVIGD RGLEVLAQYC KQLKRLRIER GADEQGMEDE DATA SEQUENCE EGLVSQRGLI ALAQGCQELE YMAVYVSDIT NESLESIGTY LKNLCDFRLV DATA SEQUENCE LLDREERITD LPLDNGVRSL LIGCKKLRRF AFYLRQGGLT DLGLSYIGQY DATA SEQUENCE SPNVRWMLLG YVGESDEGLM EFSRGCPNLQ KLEMRGCCFS ERAIAAAVTK DATA SEQUENCE LPSLRYLWVQ GYRASMTGQD LMQMARPYWN IELIPSRRXX XXXXXXXXXX DATA SEQUENCE XEHPAHILAY YSLAGQRTDC PTTVRVLKEP I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 S HA 0.000 nan 4.470 nan 0.000 0.327 12 S C 0.000 174.604 174.600 0.007 0.000 1.055 12 S CA 0.000 58.204 58.200 0.007 0.000 1.107 12 S CB 0.000 63.203 63.200 0.005 0.000 0.593 13 C N 3.504 122.809 119.300 0.009 0.000 2.401 13 C HA 0.830 5.290 4.460 -0.000 0.000 0.356 13 C C 0.740 175.736 174.990 0.011 0.000 1.192 13 C CA -0.225 58.799 59.018 0.010 0.000 2.028 13 C CB 0.978 28.725 27.740 0.011 0.000 2.344 13 C HN 0.971 nan 8.230 nan 0.000 0.525 14 V N 3.408 123.328 119.914 0.011 0.000 2.843 14 V HA 0.252 4.372 4.120 -0.000 0.000 0.305 14 V C 0.904 177.007 176.094 0.015 0.000 1.120 14 V CA 0.445 62.753 62.300 0.012 0.000 1.254 14 V CB -0.383 31.448 31.823 0.013 0.000 0.901 14 V HN 1.062 nan 8.190 nan 0.000 0.503 15 A N 4.412 127.240 122.820 0.015 0.000 2.309 15 A HA 0.610 4.930 4.320 -0.000 0.000 0.290 15 A C 0.548 178.147 177.584 0.025 0.000 1.206 15 A CA -0.393 51.655 52.037 0.017 0.000 0.850 15 A CB 0.039 19.047 19.000 0.012 0.000 1.118 15 A HN 0.927 nan 8.150 nan 0.000 0.523 16 T N 1.393 115.967 114.554 0.033 0.000 2.862 16 T HA 0.344 4.694 4.350 -0.000 0.000 0.276 16 T C 1.724 176.460 174.700 0.060 0.000 0.974 16 T CA -0.245 61.884 62.100 0.049 0.000 0.966 16 T CB 1.000 69.903 68.868 0.059 0.000 1.072 16 T HN 0.393 nan 8.240 nan 0.000 0.538 17 V N 0.173 120.143 119.914 0.094 0.000 2.343 17 V HA -0.140 3.980 4.120 -0.000 0.000 0.247 17 V C 2.226 178.390 176.094 0.116 0.000 1.051 17 V CA 1.964 64.339 62.300 0.124 0.000 1.036 17 V CB -0.973 30.994 31.823 0.240 0.000 0.654 17 V HN 0.933 nan 8.190 nan 0.000 0.451 18 D N 0.285 120.773 120.400 0.147 0.000 2.357 18 D HA -0.191 4.449 4.640 -0.000 0.000 0.216 18 D C 1.368 177.701 176.300 0.055 0.000 0.973 18 D CA 1.016 55.093 54.000 0.127 0.000 0.912 18 D CB -0.142 40.737 40.800 0.130 0.000 0.900 18 D HN 0.447 nan 8.370 nan 0.000 0.501 19 D N -0.724 119.700 120.400 0.039 0.000 2.325 19 D HA 0.042 4.682 4.640 -0.000 0.000 0.225 19 D C 0.780 177.077 176.300 -0.004 0.000 1.096 19 D CA 0.104 54.114 54.000 0.017 0.000 0.844 19 D CB 1.424 42.235 40.800 0.018 0.000 0.925 19 D HN 0.125 nan 8.370 nan 0.000 0.513 20 V N 0.210 120.111 119.914 -0.020 0.000 3.777 20 V HA 0.011 4.131 4.120 -0.000 0.000 0.285 20 V C 1.113 177.153 176.094 -0.091 0.000 1.668 20 V CA -0.083 62.191 62.300 -0.044 0.000 1.178 20 V CB 0.622 32.424 31.823 -0.034 0.000 0.962 20 V HN -0.060 nan 8.190 nan 0.000 0.411 21 I N 1.044 121.537 120.570 -0.129 0.000 2.406 21 I HA -0.038 4.132 4.170 -0.000 0.000 0.249 21 I C 2.079 178.043 176.117 -0.254 0.000 1.122 21 I CA 2.039 63.170 61.300 -0.281 0.000 1.431 21 I CB -0.129 37.573 38.000 -0.497 0.000 1.087 21 I HN 0.394 nan 8.210 nan 0.000 0.424 22 E N -0.037 120.065 120.200 -0.162 0.000 2.219 22 E HA -0.271 4.079 4.350 -0.000 0.000 0.198 22 E C 1.980 178.540 176.600 -0.066 0.000 0.998 22 E CA 1.110 57.445 56.400 -0.108 0.000 0.818 22 E CB -0.195 29.469 29.700 -0.060 0.000 0.741 22 E HN 0.651 nan 8.360 nan 0.000 0.477 23 Q N 0.165 119.931 119.800 -0.056 0.000 2.089 23 Q HA -0.053 4.287 4.340 -0.000 0.000 0.195 23 Q C 2.517 178.534 176.000 0.029 0.000 0.963 23 Q CA 0.779 56.581 55.803 -0.001 0.000 0.834 23 Q CB 0.126 28.849 28.738 -0.024 0.000 0.906 23 Q HN 0.192 nan 8.270 nan 0.000 0.452 24 V N 1.316 121.184 119.914 -0.077 0.000 2.407 24 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 24 V C 2.391 178.495 176.094 0.017 0.000 1.055 24 V CA 1.734 63.973 62.300 -0.102 0.000 1.049 24 V CB -0.538 31.191 31.823 -0.157 0.000 0.662 24 V HN 0.325 nan 8.190 nan 0.000 0.455 25 M N 1.559 121.118 119.600 -0.068 0.000 2.144 25 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 25 M C 2.120 178.437 176.300 0.028 0.000 1.067 25 M CA 2.429 57.687 55.300 -0.070 0.000 1.095 25 M CB -0.750 31.763 32.600 -0.145 0.000 1.365 25 M HN 0.549 nan 8.290 nan 0.000 0.406 26 T N -2.543 112.058 114.554 0.078 0.000 3.227 26 T HA -0.076 4.274 4.350 -0.000 0.000 0.257 26 T C 0.724 175.416 174.700 -0.014 0.000 1.162 26 T CA 0.688 62.803 62.100 0.026 0.000 1.051 26 T CB -0.680 68.181 68.868 -0.012 0.000 0.953 26 T HN 0.499 nan 8.240 nan 0.000 0.535 27 Y N 0.455 120.731 120.300 -0.041 0.000 2.481 27 Y HA 0.503 5.053 4.550 -0.000 0.000 0.247 27 Y C 0.703 176.591 175.900 -0.020 0.000 1.151 27 Y CA -1.578 56.505 58.100 -0.028 0.000 1.238 27 Y CB 0.305 38.749 38.460 -0.026 0.000 1.179 27 Y HN 0.280 nan 8.280 nan 0.000 0.524 28 I N 0.191 120.827 120.570 0.111 0.000 2.312 28 I HA 0.103 4.273 4.170 -0.000 0.000 0.291 28 I C 1.165 177.299 176.117 0.028 0.000 1.031 28 I CA 0.132 61.472 61.300 0.066 0.000 1.293 28 I CB 1.498 39.533 38.000 0.059 0.000 1.403 28 I HN -0.021 nan 8.210 nan 0.000 0.484 29 T N 2.424 116.989 114.554 0.018 0.000 3.038 29 T HA -0.006 4.344 4.350 -0.000 0.000 0.244 29 T C 0.666 175.361 174.700 -0.008 0.000 1.016 29 T CA 0.041 62.135 62.100 -0.011 0.000 1.098 29 T CB 0.061 68.914 68.868 -0.025 0.000 0.954 29 T HN 0.588 nan 8.240 nan 0.000 0.469 30 D N 2.131 122.537 120.400 0.010 0.000 2.434 30 D HA 0.113 4.753 4.640 -0.000 0.000 0.252 30 D C -1.732 174.582 176.300 0.022 0.000 1.185 30 D CA -1.854 52.154 54.000 0.013 0.000 0.886 30 D CB 1.670 42.487 40.800 0.027 0.000 1.148 30 D HN 0.132 nan 8.370 nan 0.000 0.483 31 P HA -0.111 nan 4.420 nan 0.000 0.222 31 P C 0.859 178.189 177.300 0.050 0.000 1.147 31 P CA 0.990 64.104 63.100 0.025 0.000 0.790 31 P CB 0.318 32.027 31.700 0.016 0.000 0.780 32 K N -0.828 119.602 120.400 0.051 0.000 2.400 32 K HA 0.001 4.321 4.320 -0.000 0.000 0.194 32 K C 1.268 177.912 176.600 0.073 0.000 1.033 32 K CA 0.903 57.227 56.287 0.063 0.000 1.021 32 K CB -0.379 32.154 32.500 0.055 0.000 0.808 32 K HN -0.025 nan 8.250 nan 0.000 0.505 33 D N -0.581 119.863 120.400 0.073 0.000 2.324 33 D HA 0.020 4.660 4.640 -0.000 0.000 0.212 33 D C 1.594 177.961 176.300 0.111 0.000 0.984 33 D CA 0.238 54.292 54.000 0.089 0.000 0.885 33 D CB 0.316 41.164 40.800 0.080 0.000 0.996 33 D HN -0.036 nan 8.370 nan 0.000 0.505 34 R N 1.142 121.700 120.500 0.097 0.000 2.083 34 R HA -0.124 4.216 4.340 -0.000 0.000 0.237 34 R C 1.721 178.110 176.300 0.148 0.000 1.137 34 R CA 0.974 57.143 56.100 0.115 0.000 0.951 34 R CB -0.950 29.402 30.300 0.086 0.000 0.851 34 R HN 0.275 nan 8.270 nan 0.000 0.434 35 D N 0.234 120.714 120.400 0.133 0.000 2.126 35 D HA -0.147 4.493 4.640 -0.000 0.000 0.190 35 D C 1.749 178.135 176.300 0.144 0.000 1.001 35 D CA 2.404 56.489 54.000 0.142 0.000 0.841 35 D CB 0.085 40.953 40.800 0.113 0.000 0.949 35 D HN 0.141 nan 8.370 nan 0.000 0.446 36 S N -0.008 115.769 115.700 0.127 0.000 2.348 36 S HA -0.167 4.303 4.470 -0.000 0.000 0.221 36 S C 2.187 176.887 174.600 0.167 0.000 1.033 36 S CA 1.077 59.350 58.200 0.121 0.000 1.010 36 S CB -0.665 62.595 63.200 0.101 0.000 0.891 36 S HN 0.422 nan 8.310 nan 0.000 0.442 37 A N 2.105 125.060 122.820 0.226 0.000 2.032 37 A HA -0.137 4.183 4.320 -0.000 0.000 0.221 37 A C 2.310 180.135 177.584 0.402 0.000 1.165 37 A CA 1.958 54.225 52.037 0.383 0.000 0.645 37 A CB -0.983 18.236 19.000 0.365 0.000 0.807 37 A HN 0.649 nan 8.150 nan 0.000 0.453 38 S N -1.097 114.776 115.700 0.289 0.000 2.515 38 S HA 0.137 4.606 4.470 -0.000 0.000 0.231 38 S C 1.263 176.068 174.600 0.342 0.000 0.987 38 S CA 0.995 59.385 58.200 0.317 0.000 0.936 38 S CB -0.266 63.095 63.200 0.269 0.000 0.766 38 S HN 0.442 nan 8.310 nan 0.000 0.528 39 L N 1.320 122.673 121.223 0.217 0.000 2.766 39 L HA 0.316 4.656 4.340 -0.000 0.000 0.242 39 L C 2.010 178.896 176.870 0.027 0.000 1.136 39 L CA 0.130 55.041 54.840 0.118 0.000 0.933 39 L CB 0.742 42.850 42.059 0.081 0.000 1.241 39 L HN 0.367 nan 8.230 nan 0.000 0.522 40 V N -1.795 118.110 119.914 -0.016 0.000 2.951 40 V HA 0.037 4.157 4.120 -0.000 0.000 0.255 40 V C 0.636 176.595 176.094 -0.226 0.000 1.088 40 V CA 0.707 62.873 62.300 -0.225 0.000 1.109 40 V CB -0.263 31.208 31.823 -0.588 0.000 0.724 40 V HN 0.563 nan 8.190 nan 0.000 0.471 41 C N -2.398 116.855 119.300 -0.078 0.000 3.034 41 C HA 0.405 4.865 4.460 -0.000 0.000 0.336 41 C C 1.207 176.270 174.990 0.121 0.000 1.304 41 C CA -0.368 58.634 59.018 -0.027 0.000 1.197 41 C CB 0.882 28.559 27.740 -0.103 0.000 1.373 41 C HN 0.384 nan 8.230 nan 0.000 0.459 42 R N 0.278 120.830 120.500 0.087 0.000 2.091 42 R HA -0.118 4.222 4.340 -0.000 0.000 0.238 42 R C 2.485 178.943 176.300 0.262 0.000 1.136 42 R CA 2.161 58.339 56.100 0.131 0.000 0.959 42 R CB -0.263 30.072 30.300 0.058 0.000 0.856 42 R HN 0.732 nan 8.270 nan 0.000 0.437 43 R N -0.233 120.422 120.500 0.259 0.000 2.057 43 R HA -0.148 4.192 4.340 -0.000 0.000 0.229 43 R C 1.920 178.428 176.300 0.346 0.000 1.136 43 R CA 1.495 57.763 56.100 0.279 0.000 0.952 43 R CB -0.187 30.277 30.300 0.273 0.000 0.848 43 R HN 0.221 nan 8.270 nan 0.000 0.430 44 W N 0.246 121.607 121.300 0.103 0.000 2.342 44 W HA -0.213 4.447 4.660 -0.000 0.000 0.297 44 W C 2.034 178.622 176.519 0.116 0.000 1.213 44 W CA 0.998 58.399 57.345 0.094 0.000 1.251 44 W CB -0.953 28.561 29.460 0.089 0.000 1.136 44 W HN 0.131 nan 8.180 nan 0.000 0.526 45 F N 1.489 121.594 119.950 0.257 0.000 2.102 45 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 45 F C 2.371 178.223 175.800 0.088 0.000 1.105 45 F CA 2.405 60.490 58.000 0.142 0.000 1.239 45 F CB -0.592 38.460 39.000 0.087 0.000 0.991 45 F HN -0.221 nan 8.300 nan 0.000 0.474 46 K N 0.473 120.962 120.400 0.148 0.000 2.097 46 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 46 K C 2.111 178.660 176.600 -0.086 0.000 1.049 46 K CA 1.758 58.035 56.287 -0.017 0.000 0.933 46 K CB -0.265 32.313 32.500 0.129 0.000 0.717 46 K HN 0.400 nan 8.250 nan 0.000 0.442 47 I N 0.796 121.349 120.570 -0.029 0.000 2.252 47 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 47 I C 2.113 178.188 176.117 -0.070 0.000 1.102 47 I CA 1.616 62.881 61.300 -0.059 0.000 1.385 47 I CB -0.410 37.530 38.000 -0.101 0.000 1.064 47 I HN 0.335 nan 8.210 nan 0.000 0.414 48 D N 0.470 120.829 120.400 -0.068 0.000 2.097 48 D HA -0.249 4.390 4.640 -0.000 0.000 0.195 48 D C 2.269 178.562 176.300 -0.012 0.000 0.989 48 D CA 1.746 55.733 54.000 -0.023 0.000 0.827 48 D CB -0.024 40.792 40.800 0.026 0.000 0.966 48 D HN 0.161 nan 8.370 nan 0.000 0.456 49 S N -0.399 115.175 115.700 -0.210 0.000 2.372 49 S HA -0.286 4.184 4.470 -0.000 0.000 0.227 49 S C 1.773 176.365 174.600 -0.013 0.000 1.044 49 S CA 1.764 59.820 58.200 -0.240 0.000 1.050 49 S CB -0.556 62.322 63.200 -0.537 0.000 0.901 49 S HN 0.455 nan 8.310 nan 0.000 0.447 50 E N -0.344 119.835 120.200 -0.036 0.000 2.478 50 E HA 0.028 4.378 4.350 -0.000 0.000 0.194 50 E C 1.651 178.262 176.600 0.019 0.000 1.045 50 E CA 1.033 57.434 56.400 0.001 0.000 0.868 50 E CB 0.172 29.864 29.700 -0.014 0.000 0.885 50 E HN 0.880 nan 8.360 nan 0.000 0.505 51 T N -2.350 112.218 114.554 0.024 0.000 2.975 51 T HA 0.157 4.507 4.350 -0.000 0.000 0.257 51 T C 0.867 175.576 174.700 0.016 0.000 1.003 51 T CA -0.528 61.578 62.100 0.011 0.000 0.932 51 T CB 0.206 69.068 68.868 -0.011 0.000 1.087 51 T HN -0.182 nan 8.240 nan 0.000 0.512 52 R N 2.139 122.671 120.500 0.054 0.000 2.538 52 R HA 0.145 4.485 4.340 -0.000 0.000 0.282 52 R C 0.952 177.213 176.300 -0.065 0.000 1.009 52 R CA 0.577 56.663 56.100 -0.023 0.000 1.063 52 R CB 0.165 30.407 30.300 -0.097 0.000 0.945 52 R HN 0.427 nan 8.270 nan 0.000 0.414 53 E N 1.381 121.536 120.200 -0.075 0.000 2.244 53 E HA -0.010 4.340 4.350 -0.000 0.000 0.196 53 E C -0.122 176.455 176.600 -0.039 0.000 0.939 53 E CA 0.211 56.583 56.400 -0.046 0.000 0.884 53 E CB 0.239 29.924 29.700 -0.025 0.000 0.850 53 E HN 0.503 nan 8.360 nan 0.000 0.481 54 H N 0.512 119.478 119.070 -0.173 0.000 2.589 54 H HA 0.451 5.007 4.556 -0.000 0.000 0.351 54 H C -1.495 173.683 175.328 -0.250 0.000 1.074 54 H CA -0.511 55.432 56.048 -0.175 0.000 1.203 54 H CB 1.367 31.054 29.762 -0.124 0.000 1.558 54 H HN -0.191 nan 8.280 nan 0.000 0.522 55 V N 3.915 123.438 119.914 -0.652 0.000 2.823 55 V HA 0.375 4.495 4.120 -0.000 0.000 0.312 55 V C -0.234 175.560 176.094 -0.500 0.000 1.072 55 V CA -0.652 61.377 62.300 -0.452 0.000 0.937 55 V CB 2.266 33.840 31.823 -0.415 0.000 1.013 55 V HN 0.901 nan 8.190 nan 0.000 0.430 56 T N 4.974 119.411 114.554 -0.195 0.000 2.840 56 T HA 0.554 4.904 4.350 -0.000 0.000 0.287 56 T C -0.466 174.168 174.700 -0.110 0.000 0.991 56 T CA -0.355 61.658 62.100 -0.145 0.000 0.964 56 T CB 1.064 69.928 68.868 -0.007 0.000 0.954 56 T HN 0.479 nan 8.240 nan 0.000 0.438 57 M N 2.693 122.197 119.600 -0.159 0.000 2.080 57 M HA 0.422 4.901 4.480 -0.000 0.000 0.350 57 M C 1.238 177.463 176.300 -0.126 0.000 1.173 57 M CA -0.761 54.467 55.300 -0.120 0.000 1.052 57 M CB 1.463 33.954 32.600 -0.181 0.000 1.577 57 M HN 0.769 nan 8.290 nan 0.000 0.455 58 A N 4.453 127.231 122.820 -0.071 0.000 2.119 58 A HA 0.182 4.502 4.320 -0.000 0.000 0.217 58 A C 0.720 178.249 177.584 -0.091 0.000 1.153 58 A CA 0.862 52.839 52.037 -0.100 0.000 0.692 58 A CB 0.280 19.229 19.000 -0.086 0.000 0.799 58 A HN 0.747 nan 8.150 nan 0.000 0.458 59 L N 0.103 121.306 121.223 -0.034 0.000 2.541 59 L HA 0.174 4.514 4.340 -0.000 0.000 0.266 59 L C 0.955 177.816 176.870 -0.015 0.000 0.966 59 L CA -0.734 54.111 54.840 0.008 0.000 0.871 59 L CB 1.548 43.664 42.059 0.095 0.000 1.232 59 L HN 0.448 nan 8.230 nan 0.000 0.408 60 C N 1.746 120.968 119.300 -0.130 0.000 2.419 60 C HA -0.128 4.332 4.460 -0.000 0.000 0.283 60 C C 1.761 176.765 174.990 0.025 0.000 1.373 60 C CA 0.345 59.238 59.018 -0.208 0.000 1.781 60 C CB -1.418 26.061 27.740 -0.434 0.000 1.886 60 C HN 0.787 nan 8.230 nan 0.000 0.520 61 Y N 0.858 121.240 120.300 0.137 0.000 2.529 61 Y HA 0.046 4.596 4.550 -0.000 0.000 0.290 61 Y C 2.781 178.826 175.900 0.242 0.000 1.177 61 Y CA 0.917 59.113 58.100 0.160 0.000 1.305 61 Y CB -0.272 38.199 38.460 0.020 0.000 1.047 61 Y HN 0.355 nan 8.280 nan 0.000 0.522 62 T N -0.436 114.319 114.554 0.335 0.000 3.067 62 T HA 0.389 4.739 4.350 -0.000 0.000 0.261 62 T C 0.390 175.292 174.700 0.337 0.000 1.110 62 T CA 0.667 62.984 62.100 0.361 0.000 1.113 62 T CB -0.127 68.915 68.868 0.289 0.000 0.917 62 T HN 0.270 nan 8.240 nan 0.000 0.499 63 A N 0.048 123.074 122.820 0.344 0.000 2.612 63 A HA 0.596 4.916 4.320 -0.000 0.000 0.293 63 A C -0.239 177.523 177.584 0.297 0.000 1.075 63 A CA -0.853 51.367 52.037 0.307 0.000 0.680 63 A CB 0.757 19.928 19.000 0.286 0.000 1.279 63 A HN 0.238 nan 8.150 nan 0.000 0.411 64 T N 1.070 115.716 114.554 0.154 0.000 2.918 64 T HA 0.397 4.747 4.350 -0.000 0.000 0.302 64 T C -2.045 172.545 174.700 -0.183 0.000 1.045 64 T CA -0.893 61.191 62.100 -0.026 0.000 1.114 64 T CB 0.585 69.441 68.868 -0.019 0.000 0.965 64 T HN 0.328 nan 8.240 nan 0.000 0.540 65 P HA -0.051 nan 4.420 nan 0.000 0.221 65 P C 1.149 178.319 177.300 -0.217 0.000 1.150 65 P CA 0.639 63.274 63.100 -0.774 0.000 0.800 65 P CB 0.088 31.087 31.700 -1.168 0.000 0.787 66 D N -0.058 120.242 120.400 -0.167 0.000 2.104 66 D HA -0.210 4.429 4.640 -0.000 0.000 0.194 66 D C 2.104 178.406 176.300 0.003 0.000 0.994 66 D CA 1.217 55.181 54.000 -0.061 0.000 0.830 66 D CB -0.363 40.407 40.800 -0.049 0.000 0.959 66 D HN -0.072 nan 8.370 nan 0.000 0.452 67 R N -0.503 120.012 120.500 0.026 0.000 2.096 67 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 67 R C 2.357 178.716 176.300 0.098 0.000 1.127 67 R CA 1.228 57.368 56.100 0.067 0.000 0.968 67 R CB -0.418 29.939 30.300 0.095 0.000 0.861 67 R HN 0.325 nan 8.270 nan 0.000 0.440 68 L N 0.589 121.909 121.223 0.162 0.000 2.027 68 L HA -0.100 4.240 4.340 -0.000 0.000 0.206 68 L C 2.302 179.293 176.870 0.202 0.000 1.074 68 L CA 2.338 57.329 54.840 0.251 0.000 0.745 68 L CB -0.515 41.788 42.059 0.406 0.000 0.898 68 L HN 0.306 nan 8.230 nan 0.000 0.433 69 S N -0.413 115.372 115.700 0.142 0.000 2.406 69 S HA -0.230 4.240 4.470 -0.000 0.000 0.228 69 S C 2.221 176.860 174.600 0.065 0.000 1.020 69 S CA 0.903 59.169 58.200 0.110 0.000 0.965 69 S CB -0.669 62.575 63.200 0.074 0.000 0.798 69 S HN 0.635 nan 8.310 nan 0.000 0.488 70 R N 1.220 121.743 120.500 0.039 0.000 2.075 70 R HA 0.033 4.373 4.340 -0.000 0.000 0.232 70 R C 2.532 178.811 176.300 -0.035 0.000 1.126 70 R CA 1.409 57.517 56.100 0.013 0.000 0.963 70 R CB -0.301 30.011 30.300 0.019 0.000 0.858 70 R HN 0.417 nan 8.270 nan 0.000 0.435 71 R N -0.279 120.162 120.500 -0.098 0.000 2.075 71 R HA 0.020 4.360 4.340 -0.000 0.000 0.226 71 R C -0.128 175.813 176.300 -0.598 0.000 1.114 71 R CA 1.382 57.254 56.100 -0.379 0.000 0.972 71 R CB 0.115 30.094 30.300 -0.535 0.000 0.869 71 R HN 0.265 nan 8.270 nan 0.000 0.437 72 F N 0.045 119.999 119.950 0.007 0.000 2.622 72 F HA 0.387 4.914 4.527 -0.000 0.000 0.338 72 F C -1.827 173.973 175.800 -0.000 0.000 1.334 72 F CA -2.271 55.721 58.000 -0.014 0.000 1.179 72 F CB 2.005 41.000 39.000 -0.007 0.000 1.471 72 F HN -0.004 nan 8.300 nan 0.000 0.576 73 P HA -0.126 nan 4.420 nan 0.000 0.221 73 P C -0.040 177.306 177.300 0.077 0.000 1.145 73 P CA 1.502 64.650 63.100 0.081 0.000 0.795 73 P CB 0.131 31.857 31.700 0.044 0.000 0.775 74 N N -1.304 117.448 118.700 0.086 0.000 2.401 74 N HA 0.176 4.916 4.740 -0.000 0.000 0.264 74 N C -0.268 175.265 175.510 0.038 0.000 1.238 74 N CA -0.327 52.754 53.050 0.051 0.000 0.889 74 N CB 0.024 38.533 38.487 0.037 0.000 1.196 74 N HN 0.036 nan 8.380 nan 0.000 0.511 75 L N 0.882 122.132 121.223 0.044 0.000 2.543 75 L HA -0.012 4.328 4.340 -0.000 0.000 0.285 75 L C 1.432 178.293 176.870 -0.015 0.000 1.236 75 L CA 0.413 55.246 54.840 -0.010 0.000 0.871 75 L CB 0.562 42.609 42.059 -0.020 0.000 1.121 75 L HN 0.305 nan 8.230 nan 0.000 0.501 76 R N 0.709 121.191 120.500 -0.030 0.000 2.257 76 R HA 0.165 4.505 4.340 -0.000 0.000 0.195 76 R C 0.307 176.589 176.300 -0.030 0.000 0.921 76 R CA 0.252 56.339 56.100 -0.021 0.000 1.069 76 R CB 0.515 30.807 30.300 -0.014 0.000 1.115 76 R HN 0.601 nan 8.270 nan 0.000 0.571 77 S N 0.533 116.205 115.700 -0.047 0.000 2.538 77 S HA 0.623 5.093 4.470 -0.000 0.000 0.288 77 S C -1.446 173.005 174.600 -0.248 0.000 1.108 77 S CA -0.665 57.495 58.200 -0.066 0.000 0.971 77 S CB 1.127 64.390 63.200 0.105 0.000 1.041 77 S HN 0.054 nan 8.310 nan 0.000 0.483 78 L N 3.352 124.428 121.223 -0.245 0.000 2.371 78 L HA 0.798 5.138 4.340 -0.000 0.000 0.262 78 L C -1.203 175.491 176.870 -0.293 0.000 1.006 78 L CA -0.311 54.336 54.840 -0.322 0.000 0.818 78 L CB 1.960 43.913 42.059 -0.178 0.000 1.354 78 L HN 0.803 nan 8.230 nan 0.000 0.415 79 K N 4.375 124.583 120.400 -0.320 0.000 2.615 79 K HA 0.593 4.913 4.320 -0.000 0.000 0.249 79 K C -2.219 174.220 176.600 -0.269 0.000 0.977 79 K CA -0.459 55.674 56.287 -0.257 0.000 0.833 79 K CB 1.035 33.397 32.500 -0.230 0.000 1.208 79 K HN 0.695 nan 8.250 nan 0.000 0.443 80 L N 4.051 125.143 121.223 -0.218 0.000 2.341 80 L HA 0.555 4.895 4.340 -0.000 0.000 0.278 80 L C -0.446 176.309 176.870 -0.193 0.000 1.005 80 L CA -1.049 53.627 54.840 -0.274 0.000 0.818 80 L CB 1.902 43.716 42.059 -0.408 0.000 1.259 80 L HN 0.479 nan 8.230 nan 0.000 0.418 81 K N 0.980 121.257 120.400 -0.205 0.000 2.156 81 K HA 0.660 4.980 4.320 -0.000 0.000 0.254 81 K C 0.281 176.815 176.600 -0.110 0.000 0.950 81 K CA -0.521 55.678 56.287 -0.148 0.000 0.849 81 K CB 2.464 34.868 32.500 -0.160 0.000 1.100 81 K HN 0.743 nan 8.250 nan 0.000 0.434 82 G N 1.527 110.301 108.800 -0.042 0.000 2.694 82 G HA2 0.110 4.070 3.960 -0.000 0.000 0.212 82 G HA3 0.110 4.070 3.960 -0.000 0.000 0.212 82 G C -0.564 174.446 174.900 0.184 0.000 2.030 82 G CA -0.367 44.784 45.100 0.084 0.000 0.731 82 G HN 0.398 nan 8.290 nan 0.000 0.795 83 K N 1.743 122.221 120.400 0.131 0.000 2.527 83 K HA 0.131 4.451 4.320 -0.000 0.000 0.278 83 K C -2.250 174.150 176.600 -0.334 0.000 0.981 83 K CA -0.790 55.349 56.287 -0.247 0.000 1.009 83 K CB 0.444 32.847 32.500 -0.161 0.000 0.895 83 K HN 0.088 nan 8.250 nan 0.000 0.493 84 P HA -0.037 nan 4.420 nan 0.000 0.270 84 P C 0.317 177.412 177.300 -0.341 0.000 1.221 84 P CA 0.027 62.914 63.100 -0.355 0.000 0.788 84 P CB 0.496 31.876 31.700 -0.532 0.000 0.904 85 R N 1.444 121.775 120.500 -0.281 0.000 2.152 85 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 85 R C 1.961 178.175 176.300 -0.144 0.000 1.117 85 R CA 1.509 57.499 56.100 -0.184 0.000 0.981 85 R CB -0.735 29.499 30.300 -0.109 0.000 0.870 85 R HN 0.526 nan 8.270 nan 0.000 0.451 86 A N 0.617 123.179 122.820 -0.430 0.000 2.076 86 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 86 A C 2.217 179.714 177.584 -0.144 0.000 1.160 86 A CA 1.538 53.335 52.037 -0.400 0.000 0.653 86 A CB -0.449 17.861 19.000 -1.150 0.000 0.801 86 A HN 0.432 nan 8.150 nan 0.000 0.455 87 A N -0.435 122.246 122.820 -0.231 0.000 2.019 87 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 87 A C 2.017 179.523 177.584 -0.130 0.000 1.164 87 A CA 1.548 53.486 52.037 -0.166 0.000 0.644 87 A CB -0.557 18.325 19.000 -0.197 0.000 0.805 87 A HN 0.550 nan 8.150 nan 0.000 0.449 88 M N -1.649 117.852 119.600 -0.165 0.000 2.686 88 M HA 0.081 4.560 4.480 -0.000 0.000 0.246 88 M C -0.138 175.765 176.300 -0.661 0.000 1.096 88 M CA 0.802 55.863 55.300 -0.398 0.000 1.076 88 M CB -0.073 32.224 32.600 -0.505 0.000 1.504 88 M HN 0.447 nan 8.290 nan 0.000 0.524 89 F N -0.346 119.547 119.950 -0.095 0.000 2.815 89 F HA 0.298 4.825 4.527 0.000 0.000 0.323 89 F C 0.242 176.005 175.800 -0.062 0.000 1.151 89 F CA -0.797 57.164 58.000 -0.064 0.000 1.191 89 F CB 0.045 39.012 39.000 -0.055 0.000 1.069 89 F HN 0.092 nan 8.300 nan 0.000 0.514 90 N N 1.773 120.489 118.700 0.026 0.000 2.705 90 N HA -0.201 4.538 4.740 -0.000 0.000 0.255 90 N C 0.469 175.973 175.510 -0.010 0.000 1.008 90 N CA 0.657 53.708 53.050 0.003 0.000 0.742 90 N CB -1.181 37.312 38.487 0.009 0.000 0.906 90 N HN 0.449 nan 8.380 nan 0.000 0.541 91 L N -1.146 120.082 121.223 0.008 0.000 2.717 91 L HA 0.273 4.613 4.340 -0.000 0.000 0.239 91 L C 0.607 177.564 176.870 0.145 0.000 1.086 91 L CA 0.225 55.087 54.840 0.037 0.000 0.897 91 L CB 0.321 42.426 42.059 0.076 0.000 1.214 91 L HN 0.108 nan 8.230 nan 0.000 0.508 92 I N 1.416 122.002 120.570 0.027 0.000 2.359 92 I HA 0.326 4.496 4.170 -0.000 0.000 0.294 92 I C -2.110 174.036 176.117 0.048 0.000 0.987 92 I CA -2.474 58.838 61.300 0.020 0.000 1.225 92 I CB 1.116 39.010 38.000 -0.178 0.000 1.366 92 I HN -0.299 nan 8.210 nan 0.000 0.466 93 P HA -0.037 nan 4.420 nan 0.000 0.266 93 P C 0.715 178.096 177.300 0.136 0.000 1.193 93 P CA 0.253 63.430 63.100 0.128 0.000 0.770 93 P CB 0.877 32.685 31.700 0.179 0.000 0.836 94 E N 3.356 123.613 120.200 0.095 0.000 2.106 94 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 94 E C 1.121 177.782 176.600 0.102 0.000 0.984 94 E CA 1.646 58.091 56.400 0.075 0.000 0.806 94 E CB -0.616 29.109 29.700 0.042 0.000 0.750 94 E HN 0.407 nan 8.360 nan 0.000 0.458 95 N N -0.386 118.390 118.700 0.126 0.000 2.434 95 N HA -0.089 4.651 4.740 -0.000 0.000 0.196 95 N C 1.190 176.792 175.510 0.154 0.000 1.183 95 N CA 0.297 53.426 53.050 0.132 0.000 0.849 95 N CB -1.124 37.444 38.487 0.134 0.000 0.992 95 N HN 0.321 nan 8.380 nan 0.000 0.460 96 W N 1.819 123.128 121.300 0.014 0.000 2.325 96 W HA 0.027 4.687 4.660 -0.000 0.000 0.299 96 W C 0.750 177.295 176.519 0.044 0.000 1.215 96 W CA 2.313 59.680 57.345 0.037 0.000 1.244 96 W CB -0.073 29.413 29.460 0.043 0.000 1.140 96 W HN 0.343 nan 8.180 nan 0.000 0.523 97 G N -2.513 106.252 108.800 -0.058 0.000 2.343 97 G HA2 0.399 4.359 3.960 -0.000 0.000 0.465 97 G HA3 0.399 4.359 3.960 -0.000 0.000 0.465 97 G C 0.218 175.080 174.900 -0.063 0.000 1.282 97 G CA -0.037 44.880 45.100 -0.305 0.000 0.996 97 G HN 1.133 nan 8.290 nan 0.000 0.521 98 G N -1.922 106.878 108.800 -0.001 0.000 2.148 98 G HA2 0.070 4.030 3.960 -0.000 0.000 0.157 98 G HA3 0.070 4.030 3.960 -0.000 0.000 0.157 98 G C 0.263 175.079 174.900 -0.140 0.000 1.012 98 G CA 0.387 45.473 45.100 -0.024 0.000 0.677 98 G HN 1.529 nan 8.290 nan 0.000 0.506 99 Y N -0.684 119.637 120.300 0.034 0.000 2.597 99 Y HA 0.321 4.871 4.550 -0.000 0.000 0.336 99 Y C 1.552 177.441 175.900 -0.018 0.000 1.216 99 Y CA 0.723 58.827 58.100 0.006 0.000 1.463 99 Y CB 1.392 39.872 38.460 0.034 0.000 1.303 99 Y HN -0.027 nan 8.280 nan 0.000 0.576 100 V N 1.945 121.892 119.914 0.055 0.000 3.644 100 V HA -0.122 3.998 4.120 -0.000 0.000 0.267 100 V C 1.827 177.959 176.094 0.064 0.000 1.277 100 V CA 1.375 63.612 62.300 -0.105 0.000 1.096 100 V CB -0.295 31.143 31.823 -0.642 0.000 0.828 100 V HN 1.102 nan 8.190 nan 0.000 0.446 101 T N -0.577 114.023 114.554 0.076 0.000 2.708 101 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 101 T C -0.042 174.671 174.700 0.022 0.000 1.037 101 T CA 1.688 63.814 62.100 0.043 0.000 1.146 101 T CB -1.648 67.233 68.868 0.023 0.000 0.865 101 T HN 0.402 nan 8.240 nan 0.000 0.435 102 P HA -0.039 nan 4.420 nan 0.000 0.217 102 P C 0.714 177.854 177.300 -0.266 0.000 1.148 102 P CA 1.074 64.059 63.100 -0.193 0.000 0.828 102 P CB -0.333 31.178 31.700 -0.316 0.000 0.783 103 W N -0.435 120.859 121.300 -0.010 0.000 2.409 103 W HA -0.068 4.592 4.660 -0.000 0.000 0.299 103 W C 2.373 178.924 176.519 0.052 0.000 1.203 103 W CA 0.890 58.250 57.345 0.024 0.000 1.298 103 W CB -1.266 28.210 29.460 0.027 0.000 1.127 103 W HN -0.194 nan 8.180 nan 0.000 0.528 104 V N 0.060 120.116 119.914 0.237 0.000 2.667 104 V HA -0.183 3.937 4.120 -0.000 0.000 0.252 104 V C 2.008 178.155 176.094 0.088 0.000 1.065 104 V CA 2.431 64.838 62.300 0.177 0.000 1.083 104 V CB -1.186 30.733 31.823 0.159 0.000 0.692 104 V HN 0.263 nan 8.190 nan 0.000 0.468 105 T N -2.240 112.337 114.554 0.037 0.000 2.995 105 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 105 T C 1.703 176.401 174.700 -0.003 0.000 1.091 105 T CA 1.498 63.600 62.100 0.003 0.000 1.128 105 T CB -0.273 68.581 68.868 -0.022 0.000 0.891 105 T HN 0.582 nan 8.240 nan 0.000 0.492 106 E N 1.290 121.487 120.200 -0.004 0.000 2.112 106 E HA 0.112 4.462 4.350 -0.000 0.000 0.190 106 E C 1.948 178.581 176.600 0.054 0.000 0.979 106 E CA 0.661 57.060 56.400 -0.001 0.000 0.814 106 E CB -0.520 29.149 29.700 -0.051 0.000 0.762 106 E HN 0.631 nan 8.360 nan 0.000 0.460 107 I N 0.048 120.678 120.570 0.100 0.000 2.226 107 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 107 I C 2.451 178.602 176.117 0.057 0.000 1.100 107 I CA 1.225 62.583 61.300 0.097 0.000 1.374 107 I CB -0.466 37.610 38.000 0.128 0.000 1.057 107 I HN 0.142 nan 8.210 nan 0.000 0.413 108 S N 0.912 116.640 115.700 0.046 0.000 2.387 108 S HA -0.234 4.236 4.470 -0.000 0.000 0.230 108 S C 1.639 176.249 174.600 0.017 0.000 1.035 108 S CA 2.276 60.490 58.200 0.024 0.000 1.014 108 S CB -0.419 62.790 63.200 0.015 0.000 0.836 108 S HN 0.535 nan 8.310 nan 0.000 0.466 109 N N -0.584 118.126 118.700 0.017 0.000 2.454 109 N HA 0.183 4.923 4.740 -0.000 0.000 0.177 109 N C 0.790 176.309 175.510 0.015 0.000 1.049 109 N CA 0.517 53.573 53.050 0.010 0.000 0.887 109 N CB 0.207 38.695 38.487 0.001 0.000 1.095 109 N HN 0.311 nan 8.380 nan 0.000 0.446 110 N N -0.067 118.648 118.700 0.025 0.000 2.166 110 N HA 0.175 4.915 4.740 -0.000 0.000 0.222 110 N C -0.356 175.179 175.510 0.042 0.000 1.282 110 N CA 0.146 53.214 53.050 0.030 0.000 0.890 110 N CB 1.150 39.654 38.487 0.027 0.000 1.114 110 N HN 0.046 nan 8.380 nan 0.000 0.494 111 L N 1.500 122.754 121.223 0.051 0.000 2.865 111 L HA 0.350 4.690 4.340 -0.000 0.000 0.233 111 L C 0.961 177.853 176.870 0.036 0.000 1.320 111 L CA -0.174 54.698 54.840 0.053 0.000 1.225 111 L CB 0.224 42.326 42.059 0.072 0.000 1.542 111 L HN -0.292 nan 8.230 nan 0.000 0.432 112 R N 0.086 120.603 120.500 0.028 0.000 2.366 112 R HA -0.093 4.247 4.340 -0.000 0.000 0.201 112 R C 1.437 177.746 176.300 0.015 0.000 1.057 112 R CA 0.537 56.648 56.100 0.019 0.000 1.086 112 R CB -0.208 30.101 30.300 0.016 0.000 0.914 112 R HN 0.378 nan 8.270 nan 0.000 0.476 113 Q N -1.050 118.759 119.800 0.016 0.000 2.164 113 Q HA 0.211 4.551 4.340 -0.000 0.000 0.226 113 Q C -0.842 175.160 176.000 0.002 0.000 0.813 113 Q CA -0.194 55.614 55.803 0.009 0.000 0.978 113 Q CB 0.607 29.351 28.738 0.011 0.000 1.149 113 Q HN 0.094 nan 8.270 nan 0.000 0.489 114 L N 1.836 123.061 121.223 0.003 0.000 2.410 114 L HA 0.146 4.485 4.340 -0.000 0.000 0.273 114 L C 0.652 177.513 176.870 -0.015 0.000 1.144 114 L CA 0.908 55.743 54.840 -0.008 0.000 0.863 114 L CB 0.724 42.781 42.059 -0.003 0.000 1.140 114 L HN 0.202 nan 8.230 nan 0.000 0.463 115 K N 1.472 121.858 120.400 -0.024 0.000 2.440 115 K HA 0.280 4.600 4.320 -0.000 0.000 0.207 115 K C 0.000 176.577 176.600 -0.039 0.000 1.112 115 K CA -0.113 56.159 56.287 -0.024 0.000 1.036 115 K CB 0.546 33.036 32.500 -0.018 0.000 0.935 115 K HN 0.422 nan 8.250 nan 0.000 0.564 116 S N 0.614 116.282 115.700 -0.053 0.000 2.603 116 S HA 0.454 4.924 4.470 -0.000 0.000 0.274 116 S C -1.584 172.944 174.600 -0.119 0.000 1.168 116 S CA -0.534 57.622 58.200 -0.074 0.000 0.963 116 S CB 1.868 65.043 63.200 -0.041 0.000 1.078 116 S HN 0.030 nan 8.310 nan 0.000 0.477 117 V N 5.209 125.006 119.914 -0.194 0.000 2.588 117 V HA 0.519 4.639 4.120 -0.000 0.000 0.304 117 V C -0.614 175.243 176.094 -0.395 0.000 1.042 117 V CA -0.672 61.423 62.300 -0.342 0.000 0.877 117 V CB 1.691 33.208 31.823 -0.510 0.000 0.996 117 V HN 0.996 nan 8.190 nan 0.000 0.425 118 H N 4.652 123.438 119.070 -0.473 0.000 2.708 118 H HA 0.600 5.156 4.556 -0.000 0.000 0.320 118 H C -1.558 173.572 175.328 -0.331 0.000 0.991 118 H CA -0.755 55.081 56.048 -0.353 0.000 1.243 118 H CB 0.853 30.514 29.762 -0.168 0.000 1.446 118 H HN 0.487 nan 8.280 nan 0.000 0.502 119 F N 3.610 123.676 119.950 0.194 0.000 2.404 119 F HA 0.411 4.937 4.527 -0.000 0.000 0.339 119 F C 0.337 176.218 175.800 0.135 0.000 1.105 119 F CA -0.814 57.221 58.000 0.059 0.000 1.087 119 F CB 1.401 40.396 39.000 -0.009 0.000 1.143 119 F HN 0.468 nan 8.300 nan 0.000 0.491 120 R N 2.556 123.167 120.500 0.185 0.000 2.483 120 R HA 0.481 4.821 4.340 -0.000 0.000 0.303 120 R C -0.317 175.996 176.300 0.021 0.000 0.987 120 R CA -0.638 55.512 56.100 0.084 0.000 0.881 120 R CB 0.689 30.948 30.300 -0.069 0.000 1.177 120 R HN 0.742 nan 8.270 nan 0.000 0.451 121 R N 3.274 123.792 120.500 0.031 0.000 3.336 121 R HA -0.191 4.149 4.340 -0.000 0.000 0.260 121 R C -0.546 175.760 176.300 0.011 0.000 1.032 121 R CA 1.041 57.141 56.100 -0.000 0.000 0.693 121 R CB -1.250 29.021 30.300 -0.049 0.000 1.134 121 R HN 0.581 nan 8.270 nan 0.000 0.433 122 M N 0.343 119.954 119.600 0.019 0.000 2.821 122 M HA 0.515 4.995 4.480 -0.000 0.000 0.304 122 M C 0.363 176.641 176.300 -0.037 0.000 1.233 122 M CA -1.104 54.173 55.300 -0.037 0.000 0.851 122 M CB 1.570 34.094 32.600 -0.126 0.000 1.723 122 M HN -0.073 nan 8.290 nan 0.000 0.493 123 I N 2.520 123.027 120.570 -0.105 0.000 2.307 123 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 123 I C -0.666 175.449 176.117 -0.003 0.000 1.021 123 I CA -0.520 60.744 61.300 -0.060 0.000 1.224 123 I CB 0.582 38.448 38.000 -0.224 0.000 1.376 123 I HN 0.259 nan 8.210 nan 0.000 0.470 124 V N 5.803 125.773 119.914 0.094 0.000 2.378 124 V HA 0.311 4.431 4.120 -0.000 0.000 0.288 124 V C 0.518 176.729 176.094 0.195 0.000 1.016 124 V CA -0.507 61.829 62.300 0.060 0.000 0.840 124 V CB 1.701 33.497 31.823 -0.046 0.000 0.994 124 V HN 0.892 nan 8.190 nan 0.000 0.431 125 S N 2.052 117.831 115.700 0.132 0.000 2.646 125 S HA 0.312 4.782 4.470 -0.000 0.000 0.276 125 S C 0.686 175.365 174.600 0.132 0.000 1.222 125 S CA -0.544 57.748 58.200 0.153 0.000 1.014 125 S CB 1.542 64.810 63.200 0.113 0.000 0.991 125 S HN 0.612 nan 8.310 nan 0.000 0.533 126 D N 0.454 120.940 120.400 0.144 0.000 2.133 126 D HA -0.106 4.534 4.640 -0.000 0.000 0.195 126 D C 1.699 178.040 176.300 0.068 0.000 0.997 126 D CA 1.165 55.232 54.000 0.112 0.000 0.840 126 D CB -0.358 40.502 40.800 0.101 0.000 0.947 126 D HN 0.507 nan 8.370 nan 0.000 0.452 127 L N 1.380 122.638 121.223 0.059 0.000 1.994 127 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 127 L C 1.514 178.402 176.870 0.030 0.000 1.071 127 L CA 2.141 57.004 54.840 0.038 0.000 0.745 127 L CB -0.871 41.207 42.059 0.031 0.000 0.892 127 L HN -0.011 nan 8.230 nan 0.000 0.431 128 D N -0.370 120.052 120.400 0.035 0.000 2.264 128 D HA -0.230 4.409 4.640 -0.000 0.000 0.208 128 D C 2.040 178.361 176.300 0.034 0.000 0.966 128 D CA 1.785 55.803 54.000 0.030 0.000 0.864 128 D CB -0.788 40.028 40.800 0.026 0.000 0.933 128 D HN 0.609 nan 8.370 nan 0.000 0.499 129 L N -1.725 119.513 121.223 0.026 0.000 2.375 129 L HA 0.218 4.558 4.340 -0.000 0.000 0.215 129 L C 1.796 178.673 176.870 0.011 0.000 1.108 129 L CA 1.158 56.008 54.840 0.017 0.000 0.830 129 L CB -0.503 41.538 42.059 -0.030 0.000 0.959 129 L HN -0.185 nan 8.230 nan 0.000 0.457 130 D N 0.883 121.292 120.400 0.016 0.000 2.104 130 D HA -0.235 4.405 4.640 -0.000 0.000 0.194 130 D C 2.329 178.603 176.300 -0.044 0.000 0.994 130 D CA 1.666 55.667 54.000 0.001 0.000 0.830 130 D CB 0.079 40.889 40.800 0.017 0.000 0.959 130 D HN 0.252 nan 8.370 nan 0.000 0.452 131 R N -0.166 120.322 120.500 -0.020 0.000 2.081 131 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 131 R C 2.462 178.747 176.300 -0.025 0.000 1.131 131 R CA 0.806 56.890 56.100 -0.026 0.000 0.960 131 R CB -0.497 29.803 30.300 -0.000 0.000 0.856 131 R HN 0.340 nan 8.270 nan 0.000 0.436 132 L N 0.340 121.567 121.223 0.006 0.000 1.976 132 L HA -0.195 4.144 4.340 -0.000 0.000 0.209 132 L C 2.420 179.282 176.870 -0.013 0.000 1.071 132 L CA 1.721 56.575 54.840 0.024 0.000 0.746 132 L CB -0.645 41.454 42.059 0.066 0.000 0.890 132 L HN 0.234 nan 8.230 nan 0.000 0.432 133 A N 0.216 123.020 122.820 -0.027 0.000 1.884 133 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 133 A C 2.235 179.748 177.584 -0.118 0.000 1.197 133 A CA 2.404 54.422 52.037 -0.032 0.000 0.637 133 A CB -0.570 18.441 19.000 0.019 0.000 0.827 133 A HN 0.472 nan 8.150 nan 0.000 0.450 134 K N -0.612 119.629 120.400 -0.264 0.000 2.057 134 K HA -0.005 4.315 4.320 -0.000 0.000 0.207 134 K C 2.295 178.822 176.600 -0.122 0.000 1.049 134 K CA 1.104 57.202 56.287 -0.314 0.000 0.931 134 K CB -0.322 31.972 32.500 -0.345 0.000 0.714 134 K HN 0.457 nan 8.250 nan 0.000 0.440 135 A N 0.922 123.697 122.820 -0.076 0.000 1.969 135 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 135 A C 2.049 179.624 177.584 -0.016 0.000 1.169 135 A CA 1.488 53.505 52.037 -0.033 0.000 0.635 135 A CB -0.126 18.866 19.000 -0.013 0.000 0.810 135 A HN 0.077 nan 8.150 nan 0.000 0.445 136 R N -2.345 118.147 120.500 -0.013 0.000 2.287 136 R HA 0.470 4.809 4.340 -0.000 0.000 0.197 136 R C 1.244 177.547 176.300 0.004 0.000 0.900 136 R CA 0.976 57.075 56.100 -0.002 0.000 1.052 136 R CB -0.350 29.951 30.300 0.000 0.000 1.117 136 R HN 0.601 nan 8.270 nan 0.000 0.568 137 A N 0.866 123.692 122.820 0.009 0.000 5.468 137 A HA -0.409 3.911 4.320 -0.000 0.000 0.338 137 A C 1.266 178.871 177.584 0.035 0.000 1.722 137 A CA 1.904 53.965 52.037 0.039 0.000 0.740 137 A CB -1.649 17.376 19.000 0.043 0.000 1.424 137 A HN 0.390 nan 8.150 nan 0.000 0.408 138 D N -0.498 119.923 120.400 0.034 0.000 2.190 138 D HA -0.071 4.569 4.640 -0.000 0.000 0.200 138 D C 1.340 177.649 176.300 0.014 0.000 0.992 138 D CA 1.647 55.661 54.000 0.024 0.000 0.854 138 D CB -0.479 40.334 40.800 0.021 0.000 0.936 138 D HN 0.515 nan 8.370 nan 0.000 0.462 139 D N -0.402 120.004 120.400 0.010 0.000 2.263 139 D HA -0.076 4.564 4.640 -0.000 0.000 0.208 139 D C 0.612 176.910 176.300 -0.003 0.000 0.971 139 D CA 0.107 54.109 54.000 0.003 0.000 0.867 139 D CB -0.107 40.695 40.800 0.002 0.000 0.929 139 D HN 0.169 nan 8.370 nan 0.000 0.492 140 L N 1.423 122.645 121.223 -0.002 0.000 2.515 140 L HA 0.042 4.382 4.340 -0.000 0.000 0.281 140 L C 1.100 177.962 176.870 -0.013 0.000 1.131 140 L CA 0.372 55.204 54.840 -0.013 0.000 0.905 140 L CB 0.311 42.362 42.059 -0.013 0.000 1.246 140 L HN -0.100 nan 8.230 nan 0.000 0.463 141 E N 1.515 121.703 120.200 -0.019 0.000 2.140 141 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 141 E C 0.248 176.833 176.600 -0.026 0.000 0.973 141 E CA 0.773 57.163 56.400 -0.017 0.000 0.829 141 E CB 0.418 30.108 29.700 -0.017 0.000 0.781 141 E HN 0.659 nan 8.360 nan 0.000 0.466 142 T N -0.143 114.385 114.554 -0.043 0.000 2.912 142 T HA 0.505 4.855 4.350 -0.000 0.000 0.299 142 T C -1.783 172.858 174.700 -0.099 0.000 1.052 142 T CA -0.885 61.178 62.100 -0.062 0.000 0.996 142 T CB 1.548 70.379 68.868 -0.062 0.000 1.070 142 T HN -0.017 nan 8.240 nan 0.000 0.465 143 L N 3.410 124.564 121.223 -0.115 0.000 2.482 143 L HA 0.652 4.992 4.340 -0.000 0.000 0.269 143 L C -1.258 175.498 176.870 -0.189 0.000 0.967 143 L CA -0.337 54.403 54.840 -0.166 0.000 0.851 143 L CB 1.657 43.638 42.059 -0.130 0.000 1.242 143 L HN 0.721 nan 8.230 nan 0.000 0.404 144 K N 7.063 127.300 120.400 -0.270 0.000 2.464 144 K HA 0.455 4.775 4.320 -0.000 0.000 0.252 144 K C -1.056 175.428 176.600 -0.194 0.000 1.000 144 K CA -0.515 55.585 56.287 -0.312 0.000 0.951 144 K CB 1.410 33.495 32.500 -0.691 0.000 1.183 144 K HN 0.598 nan 8.250 nan 0.000 0.445 145 L N 3.157 124.328 121.223 -0.087 0.000 2.375 145 L HA 0.122 4.462 4.340 -0.000 0.000 0.276 145 L C 0.032 176.958 176.870 0.093 0.000 1.162 145 L CA -0.369 54.489 54.840 0.031 0.000 0.991 145 L CB -0.246 41.775 42.059 -0.063 0.000 1.315 145 L HN 0.478 nan 8.230 nan 0.000 0.431 146 D N 4.915 125.389 120.400 0.123 0.000 2.411 146 D HA 0.124 4.764 4.640 -0.000 0.000 0.225 146 D C 0.309 176.684 176.300 0.125 0.000 1.156 146 D CA -0.330 53.746 54.000 0.126 0.000 0.874 146 D CB 0.511 41.456 40.800 0.242 0.000 1.034 146 D HN 0.315 nan 8.370 nan 0.000 0.502 147 K N 1.644 122.104 120.400 0.100 0.000 3.077 147 K HA -0.171 4.149 4.320 -0.000 0.000 0.264 147 K C -0.294 176.355 176.600 0.081 0.000 1.008 147 K CA 0.387 56.710 56.287 0.059 0.000 0.740 147 K CB -2.328 30.175 32.500 0.006 0.000 1.273 147 K HN 0.411 nan 8.250 nan 0.000 0.477 148 C N 0.073 119.470 119.300 0.162 0.000 2.354 148 C HA 0.751 5.211 4.460 -0.000 0.000 0.381 148 C C 1.022 176.154 174.990 0.237 0.000 1.240 148 C CA -0.279 58.854 59.018 0.192 0.000 2.089 148 C CB 1.530 29.411 27.740 0.235 0.000 2.234 148 C HN 0.620 nan 8.230 nan 0.000 0.544 149 S N -1.254 114.567 115.700 0.202 0.000 2.651 149 S HA 0.791 5.261 4.470 -0.000 0.000 0.279 149 S C -0.011 174.685 174.600 0.160 0.000 1.148 149 S CA 0.266 58.520 58.200 0.090 0.000 0.837 149 S CB 1.250 64.446 63.200 -0.007 0.000 1.138 149 S HN 2.477 nan 8.310 nan 0.000 0.478 150 G N 0.004 108.819 108.800 0.025 0.000 2.159 150 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.227 150 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.227 150 G C -0.276 174.722 174.900 0.163 0.000 0.986 150 G CA 0.196 45.349 45.100 0.089 0.000 0.651 150 G HN 1.572 nan 8.290 nan 0.000 0.523 151 F N -0.078 119.913 119.950 0.068 0.000 2.746 151 F HA 0.952 5.479 4.527 -0.000 0.000 0.378 151 F C 0.308 176.155 175.800 0.078 0.000 1.165 151 F CA -0.434 57.599 58.000 0.056 0.000 1.089 151 F CB 1.187 40.205 39.000 0.029 0.000 1.439 151 F HN 0.534 nan 8.300 nan 0.000 0.516 152 T N -4.110 110.553 114.554 0.182 0.000 2.754 152 T HA 0.286 4.636 4.350 -0.000 0.000 0.296 152 T C 0.713 175.446 174.700 0.054 0.000 1.205 152 T CA -0.010 62.123 62.100 0.055 0.000 1.009 152 T CB 0.777 69.679 68.868 0.057 0.000 1.368 152 T HN 1.059 nan 8.240 nan 0.000 0.509 153 T N -1.188 113.353 114.554 -0.021 0.000 2.849 153 T HA -0.130 4.220 4.350 -0.000 0.000 0.270 153 T C 1.151 175.870 174.700 0.031 0.000 1.066 153 T CA 1.885 63.953 62.100 -0.054 0.000 1.130 153 T CB -0.920 68.007 68.868 0.099 0.000 0.864 153 T HN 0.615 nan 8.240 nan 0.000 0.481 154 D N 1.823 122.263 120.400 0.067 0.000 2.097 154 D HA 0.008 4.648 4.640 -0.000 0.000 0.195 154 D C 2.436 178.778 176.300 0.071 0.000 0.989 154 D CA 1.448 55.494 54.000 0.077 0.000 0.827 154 D CB -1.121 39.723 40.800 0.074 0.000 0.966 154 D HN 0.563 nan 8.370 nan 0.000 0.456 155 G N 1.381 110.225 108.800 0.074 0.000 2.545 155 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 155 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 155 G C 1.758 176.652 174.900 -0.009 0.000 1.218 155 G CA 0.832 45.961 45.100 0.048 0.000 0.787 155 G HN 0.257 nan 8.290 nan 0.000 0.571 156 L N -0.314 120.861 121.223 -0.082 0.000 2.010 156 L HA -0.182 4.157 4.340 -0.000 0.000 0.219 156 L C 2.810 179.695 176.870 0.025 0.000 1.077 156 L CA 1.256 55.996 54.840 -0.167 0.000 0.773 156 L CB -0.727 41.010 42.059 -0.537 0.000 0.892 156 L HN 0.240 nan 8.230 nan 0.000 0.436 157 L N -0.413 120.872 121.223 0.103 0.000 2.079 157 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 157 L C 2.762 179.699 176.870 0.112 0.000 1.081 157 L CA 2.030 56.966 54.840 0.161 0.000 0.752 157 L CB -0.705 41.443 42.059 0.149 0.000 0.896 157 L HN 0.181 nan 8.230 nan 0.000 0.433 158 S N -0.748 115.016 115.700 0.108 0.000 2.382 158 S HA -0.155 4.315 4.470 -0.000 0.000 0.228 158 S C 2.018 176.740 174.600 0.202 0.000 1.027 158 S CA 1.454 59.756 58.200 0.171 0.000 0.991 158 S CB -0.479 62.814 63.200 0.156 0.000 0.823 158 S HN 0.608 nan 8.310 nan 0.000 0.469 159 I N 0.413 121.048 120.570 0.108 0.000 2.716 159 I HA 0.061 4.231 4.170 -0.000 0.000 0.259 159 I C 1.936 178.108 176.117 0.091 0.000 1.172 159 I CA 0.951 62.306 61.300 0.092 0.000 1.478 159 I CB -0.463 37.551 38.000 0.024 0.000 1.104 159 I HN 0.199 nan 8.210 nan 0.000 0.439 160 V N -0.355 119.618 119.914 0.097 0.000 2.809 160 V HA -0.077 4.043 4.120 -0.000 0.000 0.256 160 V C 2.425 178.547 176.094 0.047 0.000 1.080 160 V CA 1.740 64.100 62.300 0.099 0.000 1.102 160 V CB -1.952 29.969 31.823 0.164 0.000 0.705 160 V HN 0.680 nan 8.190 nan 0.000 0.475 161 T N -2.381 112.175 114.554 0.002 0.000 3.010 161 T HA 0.009 4.359 4.350 -0.000 0.000 0.252 161 T C 1.712 176.304 174.700 -0.180 0.000 1.047 161 T CA 1.345 63.369 62.100 -0.126 0.000 1.140 161 T CB -0.527 68.210 68.868 -0.217 0.000 0.885 161 T HN 0.575 nan 8.240 nan 0.000 0.464 162 H N -0.245 118.824 119.070 -0.002 0.000 2.520 162 H HA 0.370 4.926 4.556 -0.000 0.000 0.279 162 H C 0.453 175.779 175.328 -0.004 0.000 0.990 162 H CA 0.289 56.333 56.048 -0.006 0.000 1.288 162 H CB 0.197 29.959 29.762 0.000 0.000 1.446 162 H HN 0.344 nan 8.280 nan 0.000 0.538 163 C N 2.301 121.670 119.300 0.115 0.000 2.136 163 C HA 0.253 4.713 4.460 -0.000 0.000 0.381 163 C C 1.252 176.267 174.990 0.043 0.000 1.039 163 C CA -0.576 58.481 59.018 0.066 0.000 1.491 163 C CB -0.736 27.035 27.740 0.053 0.000 1.663 163 C HN 0.563 nan 8.230 nan 0.000 0.470 164 R N 0.795 121.314 120.500 0.031 0.000 2.275 164 R HA 0.012 4.352 4.340 -0.000 0.000 0.199 164 R C 1.089 177.407 176.300 0.029 0.000 0.989 164 R CA 0.645 56.758 56.100 0.022 0.000 1.016 164 R CB 0.206 30.509 30.300 0.006 0.000 0.918 164 R HN 0.584 nan 8.270 nan 0.000 0.473 165 K N 0.874 121.288 120.400 0.025 0.000 2.455 165 K HA 0.277 4.597 4.320 -0.000 0.000 0.206 165 K C -0.095 176.516 176.600 0.017 0.000 1.027 165 K CA -0.214 56.085 56.287 0.020 0.000 1.113 165 K CB 0.641 33.149 32.500 0.014 0.000 0.850 165 K HN 0.032 nan 8.250 nan 0.000 0.503 166 I N 2.083 122.666 120.570 0.022 0.000 2.821 166 I HA -0.187 3.983 4.170 -0.000 0.000 0.294 166 I C 1.168 177.295 176.117 0.017 0.000 1.210 166 I CA 0.890 62.201 61.300 0.018 0.000 1.430 166 I CB 0.450 38.467 38.000 0.029 0.000 1.356 166 I HN 0.189 nan 8.210 nan 0.000 0.563 167 K N 2.912 123.315 120.400 0.005 0.000 2.244 167 K HA 0.028 4.348 4.320 -0.000 0.000 0.200 167 K C 0.720 177.322 176.600 0.003 0.000 1.052 167 K CA 0.679 56.968 56.287 0.004 0.000 0.980 167 K CB 0.297 32.794 32.500 -0.005 0.000 0.838 167 K HN 0.728 nan 8.250 nan 0.000 0.481 168 T N 0.464 115.013 114.554 -0.008 0.000 2.879 168 T HA 0.487 4.837 4.350 -0.000 0.000 0.290 168 T C -1.732 172.957 174.700 -0.019 0.000 0.993 168 T CA -0.852 61.240 62.100 -0.013 0.000 0.975 168 T CB 1.128 69.977 68.868 -0.032 0.000 0.981 168 T HN -0.031 nan 8.240 nan 0.000 0.439 169 L N 5.722 126.950 121.223 0.008 0.000 2.376 169 L HA 0.853 5.193 4.340 -0.000 0.000 0.275 169 L C -1.788 175.102 176.870 0.033 0.000 0.987 169 L CA -0.722 54.128 54.840 0.016 0.000 0.828 169 L CB 1.554 43.656 42.059 0.071 0.000 1.249 169 L HN 0.855 nan 8.230 nan 0.000 0.409 170 L N 5.216 126.432 121.223 -0.011 0.000 2.408 170 L HA 0.584 4.924 4.340 -0.000 0.000 0.268 170 L C -0.495 176.400 176.870 0.040 0.000 0.986 170 L CA -0.317 54.531 54.840 0.012 0.000 0.820 170 L CB 2.186 44.206 42.059 -0.065 0.000 1.303 170 L HN 0.888 nan 8.230 nan 0.000 0.411 171 M N 2.365 122.052 119.600 0.146 0.000 2.268 171 M HA 0.221 4.701 4.480 -0.000 0.000 0.355 171 M C 0.059 176.508 176.300 0.249 0.000 0.938 171 M CA -0.158 55.272 55.300 0.216 0.000 1.025 171 M CB 0.751 33.544 32.600 0.321 0.000 1.773 171 M HN 0.584 nan 8.290 nan 0.000 0.613 172 E N 2.691 123.004 120.200 0.187 0.000 2.820 172 E HA -0.220 4.130 4.350 -0.000 0.000 0.251 172 E C 0.273 176.946 176.600 0.121 0.000 0.944 172 E CA 0.944 57.447 56.400 0.171 0.000 0.955 172 E CB 0.222 30.006 29.700 0.140 0.000 0.904 172 E HN 0.396 nan 8.360 nan 0.000 0.513 173 E N 1.596 121.842 120.200 0.077 0.000 3.673 173 E HA -0.231 4.119 4.350 -0.000 0.000 0.309 173 E C -0.794 175.809 176.600 0.004 0.000 0.819 173 E CA 0.728 57.122 56.400 -0.009 0.000 1.111 173 E CB -0.861 28.822 29.700 -0.028 0.000 1.561 173 E HN 0.455 nan 8.360 nan 0.000 0.450 174 S N -0.046 115.719 115.700 0.107 0.000 2.585 174 S HA 0.353 4.823 4.470 -0.000 0.000 0.273 174 S C -0.210 174.345 174.600 -0.075 0.000 1.339 174 S CA 0.078 58.370 58.200 0.154 0.000 1.028 174 S CB 1.402 64.869 63.200 0.444 0.000 0.906 174 S HN 0.392 nan 8.310 nan 0.000 0.528 175 S N 2.304 117.878 115.700 -0.210 0.000 2.561 175 S HA 0.828 5.298 4.470 -0.000 0.000 0.303 175 S C -0.710 173.488 174.600 -0.671 0.000 1.110 175 S CA -0.849 57.000 58.200 -0.585 0.000 1.034 175 S CB 0.448 63.414 63.200 -0.390 0.000 1.010 175 S HN 0.609 nan 8.310 nan 0.000 0.482 176 F N -0.733 118.863 119.950 -0.589 0.000 2.754 176 F HA 0.824 5.351 4.527 -0.000 0.000 0.320 176 F C -0.434 175.098 175.800 -0.447 0.000 1.156 176 F CA -1.287 56.261 58.000 -0.753 0.000 0.950 176 F CB 0.955 39.259 39.000 -1.159 0.000 1.388 176 F HN 0.410 nan 8.300 nan 0.000 0.485 177 S N 0.294 115.982 115.700 -0.020 0.000 2.429 177 S HA 0.239 4.709 4.470 -0.000 0.000 0.302 177 S C -0.781 173.894 174.600 0.125 0.000 1.115 177 S CA -0.580 57.617 58.200 -0.006 0.000 1.095 177 S CB 0.735 63.921 63.200 -0.022 0.000 0.987 177 S HN 0.603 nan 8.310 nan 0.000 0.474 178 E N 3.043 123.311 120.200 0.113 0.000 2.046 178 E HA 0.208 4.558 4.350 -0.000 0.000 0.279 178 E C 0.182 176.851 176.600 0.114 0.000 0.989 178 E CA -0.212 56.286 56.400 0.163 0.000 0.798 178 E CB 0.384 30.195 29.700 0.186 0.000 1.086 178 E HN 0.506 nan 8.360 nan 0.000 0.399 179 K N 2.855 123.325 120.400 0.118 0.000 2.334 179 K HA 0.074 4.394 4.320 -0.000 0.000 0.195 179 K C -0.302 176.360 176.600 0.104 0.000 1.045 179 K CA 0.624 56.965 56.287 0.090 0.000 1.004 179 K CB 0.364 32.908 32.500 0.073 0.000 0.837 179 K HN 0.578 nan 8.250 nan 0.000 0.510 180 D N -3.016 117.476 120.400 0.153 0.000 3.010 180 D HA 0.097 4.737 4.640 -0.000 0.000 0.353 180 D C 0.151 176.579 176.300 0.213 0.000 1.415 180 D CA -0.652 53.435 54.000 0.146 0.000 0.864 180 D CB 0.111 40.970 40.800 0.099 0.000 1.445 180 D HN -0.137 nan 8.370 nan 0.000 0.516 181 G N -1.417 107.451 108.800 0.113 0.000 3.228 181 G HA2 0.071 4.031 3.960 -0.000 0.000 0.245 181 G HA3 0.071 4.031 3.960 -0.000 0.000 0.245 181 G C 0.664 175.495 174.900 -0.115 0.000 1.051 181 G CA -0.127 44.972 45.100 -0.002 0.000 0.809 181 G HN 0.421 nan 8.290 nan 0.000 0.531 182 K N 0.789 121.202 120.400 0.022 0.000 2.211 182 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 182 K C 2.207 178.826 176.600 0.032 0.000 1.047 182 K CA 1.227 57.520 56.287 0.009 0.000 0.935 182 K CB -0.387 32.130 32.500 0.028 0.000 0.728 182 K HN 0.592 nan 8.250 nan 0.000 0.452 183 W N 2.126 123.426 121.300 -0.001 0.000 2.335 183 W HA -0.188 4.472 4.660 -0.000 0.000 0.311 183 W C 1.511 178.015 176.519 -0.024 0.000 1.213 183 W CA 0.610 57.943 57.345 -0.019 0.000 1.274 183 W CB -1.113 28.315 29.460 -0.054 0.000 1.148 183 W HN 0.013 nan 8.180 nan 0.000 0.498 184 L N 0.508 120.948 121.223 -1.305 0.000 2.046 184 L HA -0.260 4.080 4.340 -0.000 0.000 0.208 184 L C 3.012 179.629 176.870 -0.421 0.000 1.077 184 L CA 2.518 56.683 54.840 -1.124 0.000 0.747 184 L CB -0.905 40.395 42.059 -1.265 0.000 0.896 184 L HN 0.089 nan 8.230 nan 0.000 0.432 185 H N -0.499 118.354 119.070 -0.362 0.000 2.387 185 H HA -0.259 4.297 4.556 0.000 0.000 0.299 185 H C 2.114 177.389 175.328 -0.088 0.000 1.090 185 H CA 1.937 57.877 56.048 -0.180 0.000 1.332 185 H CB 0.276 29.958 29.762 -0.132 0.000 1.386 185 H HN 0.292 nan 8.280 nan 0.000 0.516 186 E N 0.199 120.465 120.200 0.110 0.000 2.204 186 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 186 E C 2.081 178.736 176.600 0.091 0.000 0.989 186 E CA 0.846 57.332 56.400 0.143 0.000 0.824 186 E CB -0.286 29.490 29.700 0.127 0.000 0.756 186 E HN 0.582 nan 8.360 nan 0.000 0.477 187 L N -0.290 120.941 121.223 0.013 0.000 2.023 187 L HA -0.088 4.251 4.340 -0.000 0.000 0.205 187 L C 2.473 179.320 176.870 -0.039 0.000 1.073 187 L CA 1.073 55.919 54.840 0.011 0.000 0.745 187 L CB -0.622 41.435 42.059 -0.004 0.000 0.900 187 L HN 0.280 nan 8.230 nan 0.000 0.435 188 A N -0.679 122.064 122.820 -0.129 0.000 1.892 188 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 188 A C 2.142 179.610 177.584 -0.193 0.000 1.188 188 A CA 1.937 53.866 52.037 -0.179 0.000 0.631 188 A CB -0.579 18.247 19.000 -0.291 0.000 0.822 188 A HN 0.517 nan 8.150 nan 0.000 0.447 189 Q N -2.408 117.261 119.800 -0.218 0.000 2.311 189 Q HA -0.075 4.265 4.340 -0.000 0.000 0.203 189 Q C 1.082 176.818 176.000 -0.438 0.000 0.954 189 Q CA 1.103 56.721 55.803 -0.310 0.000 0.885 189 Q CB 0.075 28.662 28.738 -0.253 0.000 0.963 189 Q HN 0.866 nan 8.270 nan 0.000 0.471 190 H N -2.560 116.480 119.070 -0.050 0.000 3.794 190 H HA 0.155 4.711 4.556 -0.000 0.000 0.258 190 H C -0.245 175.071 175.328 -0.020 0.000 1.120 190 H CA -0.160 55.872 56.048 -0.027 0.000 1.166 190 H CB 0.640 30.392 29.762 -0.016 0.000 1.517 190 H HN 0.094 nan 8.280 nan 0.000 0.615 191 N N 0.328 119.074 118.700 0.077 0.000 2.509 191 N HA 0.114 4.854 4.740 -0.000 0.000 0.287 191 N C 0.532 176.054 175.510 0.021 0.000 1.121 191 N CA 0.281 53.362 53.050 0.051 0.000 0.977 191 N CB 1.802 40.320 38.487 0.051 0.000 1.167 191 N HN -0.122 nan 8.380 nan 0.000 0.476 192 T N -0.566 114.000 114.554 0.021 0.000 3.048 192 T HA 0.031 4.381 4.350 -0.000 0.000 0.254 192 T C 1.358 176.064 174.700 0.009 0.000 0.942 192 T CA 0.250 62.355 62.100 0.008 0.000 0.931 192 T CB -0.097 68.775 68.868 0.007 0.000 1.220 192 T HN 0.618 nan 8.240 nan 0.000 0.503 193 S N 1.422 117.131 115.700 0.015 0.000 2.489 193 S HA 0.171 4.641 4.470 -0.000 0.000 0.228 193 S C 0.760 175.368 174.600 0.014 0.000 0.995 193 S CA -0.169 58.038 58.200 0.012 0.000 0.934 193 S CB -0.455 62.753 63.200 0.013 0.000 0.771 193 S HN 0.233 nan 8.310 nan 0.000 0.522 194 L N 2.709 123.945 121.223 0.023 0.000 2.706 194 L HA -0.018 4.322 4.340 -0.000 0.000 0.282 194 L C 1.097 177.981 176.870 0.023 0.000 1.219 194 L CA 0.921 55.779 54.840 0.030 0.000 0.935 194 L CB -0.130 41.957 42.059 0.046 0.000 1.204 194 L HN 0.260 nan 8.230 nan 0.000 0.491 195 E N 2.283 122.494 120.200 0.018 0.000 2.367 195 E HA 0.183 4.533 4.350 -0.000 0.000 0.204 195 E C -0.707 175.901 176.600 0.013 0.000 0.840 195 E CA 0.158 56.565 56.400 0.011 0.000 1.051 195 E CB 1.111 30.811 29.700 -0.000 0.000 1.051 195 E HN 0.399 nan 8.360 nan 0.000 0.509 196 V N 1.495 121.415 119.914 0.011 0.000 2.668 196 V HA 0.514 4.634 4.120 -0.000 0.000 0.304 196 V C -2.047 174.056 176.094 0.016 0.000 1.071 196 V CA -0.903 61.400 62.300 0.005 0.000 0.894 196 V CB 1.806 33.618 31.823 -0.019 0.000 1.008 196 V HN 0.037 nan 8.190 nan 0.000 0.425 197 L N 5.826 127.061 121.223 0.019 0.000 2.362 197 L HA 0.789 5.129 4.340 -0.000 0.000 0.275 197 L C -0.950 175.894 176.870 -0.044 0.000 0.998 197 L CA 0.013 54.880 54.840 0.045 0.000 0.820 197 L CB 1.841 43.955 42.059 0.091 0.000 1.270 197 L HN 0.882 nan 8.230 nan 0.000 0.415 198 N N 4.474 123.179 118.700 0.008 0.000 2.594 198 N HA 0.333 5.073 4.740 -0.000 0.000 0.280 198 N C -1.668 173.909 175.510 0.112 0.000 1.156 198 N CA -0.465 52.547 53.050 -0.064 0.000 0.831 198 N CB 0.602 39.067 38.487 -0.037 0.000 1.379 198 N HN 0.428 nan 8.380 nan 0.000 0.536 199 F N 2.739 122.777 119.950 0.145 0.000 2.530 199 F HA 0.399 4.926 4.527 0.000 0.000 0.318 199 F C 0.481 176.427 175.800 0.243 0.000 1.356 199 F CA -0.984 57.161 58.000 0.241 0.000 1.135 199 F CB -0.114 39.106 39.000 0.368 0.000 1.315 199 F HN 0.253 nan 8.300 nan 0.000 0.549 200 Y N 1.751 122.075 120.300 0.040 0.000 2.263 200 Y HA 0.166 4.716 4.550 -0.000 0.000 0.292 200 Y C 0.881 176.763 175.900 -0.030 0.000 1.130 200 Y CA 1.214 59.278 58.100 -0.060 0.000 1.179 200 Y CB 0.211 38.616 38.460 -0.092 0.000 0.998 200 Y HN 0.447 nan 8.280 nan 0.000 0.532 201 M N 1.495 121.041 119.600 -0.090 0.000 2.999 201 M HA 0.232 4.712 4.480 -0.000 0.000 0.206 201 M C -0.895 175.334 176.300 -0.119 0.000 1.111 201 M CA -0.039 55.096 55.300 -0.275 0.000 0.946 201 M CB 0.376 32.794 32.600 -0.303 0.000 1.330 201 M HN 0.158 nan 8.290 nan 0.000 0.533 202 T N -2.241 112.306 114.554 -0.011 0.000 2.952 202 T HA 0.519 4.868 4.350 -0.000 0.000 0.305 202 T C -0.702 173.968 174.700 -0.050 0.000 1.064 202 T CA -1.026 61.069 62.100 -0.008 0.000 1.008 202 T CB 1.573 70.620 68.868 0.299 0.000 1.078 202 T HN 0.281 nan 8.240 nan 0.000 0.459 203 E N 2.883 122.921 120.200 -0.270 0.000 1.893 203 E HA 0.270 4.620 4.350 -0.000 0.000 0.269 203 E C -1.208 175.236 176.600 -0.260 0.000 1.129 203 E CA -0.226 56.043 56.400 -0.218 0.000 0.904 203 E CB -0.060 29.479 29.700 -0.268 0.000 1.077 203 E HN 0.554 nan 8.360 nan 0.000 0.407 204 F N 0.824 120.785 119.950 0.019 0.000 2.426 204 F HA 0.401 4.928 4.527 -0.000 0.000 0.348 204 F C 0.879 176.652 175.800 -0.046 0.000 1.124 204 F CA -0.670 57.345 58.000 0.025 0.000 1.008 204 F CB 1.909 40.881 39.000 -0.046 0.000 1.139 204 F HN 0.462 nan 8.300 nan 0.000 0.452 205 A N 2.922 125.845 122.820 0.171 0.000 2.508 205 A HA 0.269 4.589 4.320 -0.000 0.000 0.250 205 A C 0.930 178.580 177.584 0.110 0.000 1.208 205 A CA -0.148 51.946 52.037 0.096 0.000 0.960 205 A CB 0.050 19.084 19.000 0.055 0.000 1.099 205 A HN 0.699 nan 8.150 nan 0.000 0.542 206 K N 0.729 121.221 120.400 0.154 0.000 2.506 206 K HA 0.320 4.640 4.320 -0.000 0.000 0.204 206 K C -0.181 176.472 176.600 0.089 0.000 1.045 206 K CA -0.029 56.331 56.287 0.122 0.000 1.074 206 K CB 0.451 33.032 32.500 0.135 0.000 0.842 206 K HN 0.685 nan 8.250 nan 0.000 0.514 207 I N -2.199 118.411 120.570 0.067 0.000 2.525 207 I HA 0.391 4.561 4.170 -0.000 0.000 0.301 207 I C -0.174 176.033 176.117 0.149 0.000 0.992 207 I CA -0.798 60.491 61.300 -0.018 0.000 1.162 207 I CB 1.939 39.796 38.000 -0.239 0.000 1.332 207 I HN -0.223 nan 8.210 nan 0.000 0.458 208 S N 5.876 121.630 115.700 0.090 0.000 2.452 208 S HA 0.411 4.881 4.470 -0.000 0.000 0.284 208 S C -1.190 173.431 174.600 0.035 0.000 1.171 208 S CA -1.628 56.631 58.200 0.098 0.000 1.064 208 S CB 0.838 64.060 63.200 0.037 0.000 0.967 208 S HN 0.634 nan 8.310 nan 0.000 0.484 209 P HA -0.163 nan 4.420 nan 0.000 0.219 209 P C 0.999 178.139 177.300 -0.267 0.000 1.146 209 P CA 1.039 63.805 63.100 -0.556 0.000 0.808 209 P CB 0.133 31.402 31.700 -0.719 0.000 0.779 210 K N 0.341 120.656 120.400 -0.142 0.000 2.020 210 K HA -0.171 4.148 4.320 -0.000 0.000 0.212 210 K C 1.754 178.298 176.600 -0.094 0.000 1.050 210 K CA 1.387 57.618 56.287 -0.093 0.000 0.929 210 K CB -1.138 31.331 32.500 -0.052 0.000 0.714 210 K HN 0.211 nan 8.250 nan 0.000 0.443 211 D N 1.094 121.435 120.400 -0.098 0.000 2.133 211 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 211 D C 1.964 178.199 176.300 -0.108 0.000 0.997 211 D CA 0.734 54.651 54.000 -0.139 0.000 0.840 211 D CB -0.168 40.535 40.800 -0.161 0.000 0.947 211 D HN 0.013 nan 8.370 nan 0.000 0.452 212 L N 1.420 122.587 121.223 -0.092 0.000 2.046 212 L HA -0.141 4.198 4.340 -0.000 0.000 0.208 212 L C 2.164 179.082 176.870 0.081 0.000 1.077 212 L CA 1.782 56.592 54.840 -0.051 0.000 0.747 212 L CB -0.672 41.279 42.059 -0.180 0.000 0.896 212 L HN 0.011 nan 8.230 nan 0.000 0.432 213 E N -1.448 118.781 120.200 0.048 0.000 2.072 213 E HA -0.258 4.092 4.350 -0.000 0.000 0.191 213 E C 2.033 178.647 176.600 0.023 0.000 0.985 213 E CA 1.569 58.033 56.400 0.108 0.000 0.801 213 E CB -0.210 29.500 29.700 0.018 0.000 0.750 213 E HN 0.561 nan 8.360 nan 0.000 0.452 214 T N -0.300 114.234 114.554 -0.034 0.000 2.962 214 T HA -0.073 4.277 4.350 -0.000 0.000 0.270 214 T C 1.862 176.531 174.700 -0.052 0.000 1.088 214 T CA 0.951 63.013 62.100 -0.063 0.000 1.127 214 T CB -0.263 68.539 68.868 -0.111 0.000 0.883 214 T HN 0.220 nan 8.240 nan 0.000 0.493 215 I N 0.995 121.553 120.570 -0.020 0.000 2.286 215 I HA 0.016 4.186 4.170 -0.000 0.000 0.245 215 I C 3.105 179.238 176.117 0.025 0.000 1.104 215 I CA 1.001 62.302 61.300 0.002 0.000 1.397 215 I CB -0.655 37.365 38.000 0.033 0.000 1.072 215 I HN 0.345 nan 8.210 nan 0.000 0.417 216 A N 0.808 123.666 122.820 0.064 0.000 1.940 216 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 216 A C 2.364 179.910 177.584 -0.063 0.000 1.176 216 A CA 1.801 53.832 52.037 -0.011 0.000 0.631 216 A CB -0.605 18.306 19.000 -0.148 0.000 0.814 216 A HN 0.294 nan 8.150 nan 0.000 0.446 217 R N -0.418 120.049 120.500 -0.054 0.000 2.081 217 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 217 R C 1.464 177.733 176.300 -0.051 0.000 1.131 217 R CA 1.819 57.882 56.100 -0.062 0.000 0.960 217 R CB -0.165 30.100 30.300 -0.059 0.000 0.856 217 R HN 0.520 nan 8.270 nan 0.000 0.436 218 N N -1.282 117.392 118.700 -0.042 0.000 2.424 218 N HA 0.025 4.765 4.740 -0.000 0.000 0.178 218 N C -0.617 174.878 175.510 -0.025 0.000 1.060 218 N CA 0.451 53.478 53.050 -0.038 0.000 0.901 218 N CB 0.426 38.887 38.487 -0.044 0.000 0.979 218 N HN 0.107 nan 8.380 nan 0.000 0.451 219 C N 1.473 120.763 119.300 -0.018 0.000 2.206 219 C HA 0.380 4.840 4.460 -0.000 0.000 0.324 219 C C 1.559 176.540 174.990 -0.014 0.000 1.120 219 C CA -0.849 58.164 59.018 -0.007 0.000 1.546 219 C CB 0.247 27.994 27.740 0.011 0.000 2.023 219 C HN 0.201 nan 8.230 nan 0.000 0.448 220 R N 1.095 121.585 120.500 -0.017 0.000 2.189 220 R HA -0.019 4.321 4.340 -0.000 0.000 0.223 220 R C 1.692 177.981 176.300 -0.019 0.000 1.092 220 R CA 0.936 57.022 56.100 -0.023 0.000 0.989 220 R CB -0.144 30.143 30.300 -0.022 0.000 0.876 220 R HN 0.595 nan 8.270 nan 0.000 0.457 221 S N 0.146 115.839 115.700 -0.011 0.000 2.622 221 S HA 0.180 4.650 4.470 -0.000 0.000 0.236 221 S C -0.293 174.306 174.600 -0.001 0.000 0.956 221 S CA -0.507 57.688 58.200 -0.008 0.000 0.971 221 S CB 0.017 63.214 63.200 -0.006 0.000 0.782 221 S HN 0.034 nan 8.310 nan 0.000 0.468 222 L N 2.375 123.599 121.223 0.001 0.000 2.433 222 L HA 0.232 4.572 4.340 -0.000 0.000 0.275 222 L C 0.714 177.596 176.870 0.020 0.000 1.128 222 L CA 0.603 55.454 54.840 0.019 0.000 0.875 222 L CB 0.508 42.585 42.059 0.030 0.000 1.171 222 L HN 0.036 nan 8.230 nan 0.000 0.463 223 V N 2.460 122.389 119.914 0.025 0.000 3.013 223 V HA 0.263 4.383 4.120 -0.000 0.000 0.238 223 V C 0.656 176.775 176.094 0.040 0.000 1.161 223 V CA 0.687 63.000 62.300 0.023 0.000 1.170 223 V CB 0.638 32.465 31.823 0.006 0.000 0.917 223 V HN 0.760 nan 8.190 nan 0.000 0.478 224 S N 0.253 115.974 115.700 0.035 0.000 2.521 224 S HA 0.694 5.164 4.470 -0.000 0.000 0.295 224 S C -1.311 173.305 174.600 0.026 0.000 1.098 224 S CA -0.352 57.864 58.200 0.025 0.000 0.999 224 S CB 1.745 64.931 63.200 -0.024 0.000 1.034 224 S HN 0.448 nan 8.310 nan 0.000 0.483 225 V N 4.811 124.743 119.914 0.030 0.000 2.668 225 V HA 0.732 4.852 4.120 -0.000 0.000 0.304 225 V C -1.664 174.237 176.094 -0.322 0.000 1.071 225 V CA -0.597 61.661 62.300 -0.070 0.000 0.894 225 V CB 1.653 33.517 31.823 0.068 0.000 1.008 225 V HN 0.950 nan 8.190 nan 0.000 0.425 226 K N 4.552 124.684 120.400 -0.447 0.000 2.318 226 K HA 0.923 5.243 4.320 -0.000 0.000 0.249 226 K C -1.458 174.764 176.600 -0.630 0.000 0.942 226 K CA -0.846 55.083 56.287 -0.596 0.000 0.808 226 K CB 2.743 34.928 32.500 -0.525 0.000 1.189 226 K HN 0.582 nan 8.250 nan 0.000 0.428 227 V N 0.266 119.907 119.914 -0.454 0.000 3.232 227 V HA 0.440 4.560 4.120 -0.000 0.000 0.303 227 V C 0.144 176.255 176.094 0.028 0.000 1.311 227 V CA -0.631 61.403 62.300 -0.443 0.000 1.061 227 V CB 2.348 33.993 31.823 -0.296 0.000 1.085 227 V HN 0.999 nan 8.190 nan 0.000 0.447 228 G N -0.326 108.604 108.800 0.216 0.000 2.546 228 G HA2 0.204 4.164 3.960 -0.000 0.000 0.239 228 G HA3 0.204 4.164 3.960 -0.000 0.000 0.239 228 G C -0.177 174.794 174.900 0.118 0.000 1.476 228 G CA -0.033 45.177 45.100 0.183 0.000 1.064 228 G HN 0.665 nan 8.290 nan 0.000 0.561 229 D N 0.294 120.746 120.400 0.088 0.000 2.870 229 D HA 0.177 4.817 4.640 -0.000 0.000 0.241 229 D C 0.091 176.510 176.300 0.198 0.000 1.234 229 D CA -0.061 54.038 54.000 0.165 0.000 0.844 229 D CB -0.518 40.371 40.800 0.148 0.000 1.051 229 D HN 0.128 nan 8.370 nan 0.000 0.469 230 F N 1.108 121.179 119.950 0.203 0.000 2.595 230 F HA -0.062 4.465 4.527 -0.000 0.000 0.359 230 F C 1.605 177.511 175.800 0.177 0.000 1.147 230 F CA -0.100 58.001 58.000 0.167 0.000 1.341 230 F CB 0.752 39.839 39.000 0.145 0.000 1.104 230 F HN -0.173 nan 8.300 nan 0.000 0.603 231 E N 3.454 123.893 120.200 0.399 0.000 2.217 231 E HA 0.036 4.386 4.350 -0.000 0.000 0.279 231 E C 0.911 177.670 176.600 0.265 0.000 1.068 231 E CA -0.068 56.506 56.400 0.289 0.000 0.882 231 E CB 0.829 30.660 29.700 0.219 0.000 1.039 231 E HN 0.511 nan 8.360 nan 0.000 0.418 232 I N 4.773 125.526 120.570 0.305 0.000 2.143 232 I HA -0.374 3.796 4.170 -0.000 0.000 0.245 232 I C 2.204 178.478 176.117 0.262 0.000 1.068 232 I CA 1.305 62.782 61.300 0.295 0.000 1.326 232 I CB -0.280 37.867 38.000 0.245 0.000 1.028 232 I HN 0.636 nan 8.210 nan 0.000 0.412 233 L N -0.291 121.113 121.223 0.302 0.000 2.129 233 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 233 L C 2.223 179.142 176.870 0.082 0.000 1.087 233 L CA 1.444 56.392 54.840 0.179 0.000 0.757 233 L CB -0.585 41.535 42.059 0.102 0.000 0.896 233 L HN 0.364 nan 8.230 nan 0.000 0.434 234 E N -0.364 119.867 120.200 0.052 0.000 2.478 234 E HA -0.111 4.239 4.350 -0.000 0.000 0.198 234 E C 1.629 178.156 176.600 -0.122 0.000 1.046 234 E CA 0.420 56.795 56.400 -0.043 0.000 0.870 234 E CB 0.143 29.799 29.700 -0.073 0.000 0.818 234 E HN 0.532 nan 8.360 nan 0.000 0.527 235 L N 0.174 121.349 121.223 -0.080 0.000 2.667 235 L HA 0.055 4.394 4.340 -0.000 0.000 0.232 235 L C 1.599 178.461 176.870 -0.013 0.000 1.138 235 L CA -0.201 54.536 54.840 -0.171 0.000 0.921 235 L CB 0.603 42.454 42.059 -0.347 0.000 1.180 235 L HN 0.005 nan 8.230 nan 0.000 0.487 236 V N 0.037 120.000 119.914 0.082 0.000 2.515 236 V HA -0.158 3.962 4.120 -0.000 0.000 0.250 236 V C 2.585 178.719 176.094 0.066 0.000 1.058 236 V CA 1.960 64.343 62.300 0.138 0.000 1.064 236 V CB -1.042 30.816 31.823 0.058 0.000 0.675 236 V HN 0.586 nan 8.190 nan 0.000 0.461 237 G N -0.114 108.694 108.800 0.014 0.000 2.480 237 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.216 237 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.216 237 G C 1.493 176.383 174.900 -0.017 0.000 1.200 237 G CA 1.197 46.290 45.100 -0.012 0.000 0.782 237 G HN 0.462 nan 8.290 nan 0.000 0.554 238 F N 1.147 120.987 119.950 -0.184 0.000 2.032 238 F HA -0.185 4.342 4.527 -0.000 0.000 0.297 238 F C 2.470 178.162 175.800 -0.180 0.000 1.125 238 F CA 2.086 59.938 58.000 -0.245 0.000 1.202 238 F CB -0.702 38.042 39.000 -0.426 0.000 0.958 238 F HN 0.148 nan 8.300 nan 0.000 0.491 239 F N 0.559 120.380 119.950 -0.215 0.000 2.120 239 F HA -0.243 4.284 4.527 -0.000 0.000 0.300 239 F C 2.470 178.085 175.800 -0.309 0.000 1.095 239 F CA 1.767 59.566 58.000 -0.335 0.000 1.249 239 F CB -0.568 38.323 39.000 -0.182 0.000 0.995 239 F HN -0.053 nan 8.300 nan 0.000 0.480 240 K N 0.046 120.428 120.400 -0.030 0.000 2.103 240 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 240 K C 2.249 178.773 176.600 -0.126 0.000 1.048 240 K CA 1.223 57.466 56.287 -0.074 0.000 0.930 240 K CB -0.406 32.060 32.500 -0.057 0.000 0.716 240 K HN 0.252 nan 8.250 nan 0.000 0.444 241 A N 1.197 123.909 122.820 -0.179 0.000 1.968 241 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 241 A C 1.571 179.017 177.584 -0.230 0.000 1.169 241 A CA 1.065 52.993 52.037 -0.181 0.000 0.638 241 A CB -0.147 18.756 19.000 -0.162 0.000 0.812 241 A HN 0.259 nan 8.150 nan 0.000 0.446 242 A N 0.109 122.701 122.820 -0.380 0.000 3.063 242 A HA 0.577 4.897 4.320 -0.000 0.000 0.263 242 A C 1.520 178.990 177.584 -0.190 0.000 1.736 242 A CA 0.568 52.383 52.037 -0.370 0.000 1.408 242 A CB -0.939 17.625 19.000 -0.726 0.000 1.108 242 A HN 0.829 nan 8.150 nan 0.000 0.621 243 A N 1.591 124.333 122.820 -0.131 0.000 1.865 243 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 243 A C 1.639 179.184 177.584 -0.066 0.000 1.191 243 A CA 1.774 53.758 52.037 -0.088 0.000 0.623 243 A CB -0.358 18.599 19.000 -0.072 0.000 0.826 243 A HN 0.607 nan 8.150 nan 0.000 0.444 244 N N -0.382 118.285 118.700 -0.055 0.000 2.370 244 N HA 0.119 4.859 4.740 -0.000 0.000 0.198 244 N C -0.199 175.301 175.510 -0.017 0.000 1.156 244 N CA -0.120 52.909 53.050 -0.034 0.000 0.839 244 N CB -0.298 38.173 38.487 -0.027 0.000 0.989 244 N HN 0.361 nan 8.380 nan 0.000 0.468 245 L N 1.390 122.604 121.223 -0.014 0.000 2.513 245 L HA -0.027 4.313 4.340 -0.000 0.000 0.272 245 L C 1.152 178.045 176.870 0.038 0.000 1.187 245 L CA 0.854 55.714 54.840 0.034 0.000 0.895 245 L CB 0.460 42.563 42.059 0.073 0.000 1.147 245 L HN 0.143 nan 8.230 nan 0.000 0.483 246 E N 2.326 122.554 120.200 0.046 0.000 2.434 246 E HA 0.117 4.467 4.350 -0.000 0.000 0.207 246 E C -0.212 176.420 176.600 0.053 0.000 0.929 246 E CA 0.062 56.482 56.400 0.034 0.000 1.001 246 E CB 0.736 30.445 29.700 0.015 0.000 1.016 246 E HN 0.646 nan 8.360 nan 0.000 0.502 247 E N 0.444 120.691 120.200 0.078 0.000 2.256 247 E HA 0.405 4.755 4.350 -0.000 0.000 0.268 247 E C -1.843 174.859 176.600 0.171 0.000 0.877 247 E CA -0.614 55.828 56.400 0.071 0.000 0.757 247 E CB 1.490 31.185 29.700 -0.007 0.000 1.183 247 E HN -0.070 nan 8.360 nan 0.000 0.418 248 F N 4.582 124.547 119.950 0.026 0.000 2.573 248 F HA 0.565 5.092 4.527 -0.000 0.000 0.316 248 F C -1.625 174.162 175.800 -0.021 0.000 1.148 248 F CA -0.457 57.584 58.000 0.069 0.000 0.940 248 F CB 1.017 40.187 39.000 0.283 0.000 1.214 248 F HN 0.584 nan 8.300 nan 0.000 0.448 249 C N 3.631 122.467 119.300 -0.773 0.000 2.889 249 C HA 1.030 5.490 4.460 -0.000 0.000 0.307 249 C C 0.454 174.987 174.990 -0.761 0.000 1.251 249 C CA -0.023 58.633 59.018 -0.603 0.000 1.593 249 C CB 0.880 28.088 27.740 -0.887 0.000 2.104 249 C HN 1.389 nan 8.230 nan 0.000 0.476 250 G N 0.597 109.352 108.800 -0.075 0.000 2.384 250 G HA2 0.527 4.487 3.960 -0.000 0.000 0.204 250 G HA3 0.527 4.487 3.960 -0.000 0.000 0.204 250 G C -0.006 175.072 174.900 0.298 0.000 1.237 250 G CA 0.148 45.324 45.100 0.127 0.000 1.060 250 G HN 2.751 nan 8.290 nan 0.000 0.514 251 G N -1.676 107.325 108.800 0.336 0.000 2.782 251 G HA2 0.408 4.368 3.960 -0.000 0.000 0.228 251 G HA3 0.408 4.368 3.960 -0.000 0.000 0.228 251 G C 0.135 175.255 174.900 0.367 0.000 1.372 251 G CA 1.032 46.404 45.100 0.454 0.000 0.862 251 G HN 2.370 nan 8.290 nan 0.000 0.547 252 S N -0.818 115.103 115.700 0.369 0.000 2.736 252 S HA 0.597 5.067 4.470 -0.000 0.000 0.285 252 S C -0.293 174.472 174.600 0.276 0.000 1.163 252 S CA -0.620 57.809 58.200 0.381 0.000 1.025 252 S CB 0.524 63.923 63.200 0.332 0.000 1.030 252 S HN 0.864 nan 8.310 nan 0.000 0.486 253 L N 5.395 126.750 121.223 0.219 0.000 2.268 253 L HA 0.487 4.827 4.340 -0.000 0.000 0.289 253 L C -0.187 176.802 176.870 0.198 0.000 1.064 253 L CA -0.490 54.381 54.840 0.051 0.000 0.824 253 L CB 0.474 42.449 42.059 -0.141 0.000 1.202 253 L HN 0.554 nan 8.230 nan 0.000 0.433 254 N N 3.994 122.886 118.700 0.320 0.000 2.476 254 N HA 0.187 4.927 4.740 -0.000 0.000 0.257 254 N C -0.660 175.011 175.510 0.267 0.000 0.970 254 N CA -0.525 52.660 53.050 0.224 0.000 0.938 254 N CB 1.802 40.382 38.487 0.155 0.000 1.144 254 N HN 0.588 nan 8.380 nan 0.000 0.500 255 E N 0.857 121.178 120.200 0.203 0.000 2.227 255 E HA 0.233 4.583 4.350 -0.000 0.000 0.282 255 E C -0.804 175.843 176.600 0.078 0.000 1.015 255 E CA -0.827 55.672 56.400 0.164 0.000 0.823 255 E CB 1.073 30.868 29.700 0.158 0.000 1.081 255 E HN 0.411 nan 8.360 nan 0.000 0.396 256 D N 3.828 124.252 120.400 0.039 0.000 2.326 256 D HA 0.110 4.750 4.640 -0.000 0.000 0.248 256 D C 0.858 177.167 176.300 0.015 0.000 1.001 256 D CA -0.751 53.261 54.000 0.019 0.000 0.961 256 D CB 1.130 41.931 40.800 0.003 0.000 1.183 256 D HN 0.358 nan 8.370 nan 0.000 0.502 257 I N 0.605 121.182 120.570 0.013 0.000 2.500 257 I HA -0.010 4.160 4.170 -0.000 0.000 0.252 257 I C 2.498 178.617 176.117 0.003 0.000 1.142 257 I CA 0.690 61.997 61.300 0.012 0.000 1.451 257 I CB -1.739 36.268 38.000 0.013 0.000 1.093 257 I HN 0.690 nan 8.210 nan 0.000 0.430 258 G N 1.436 110.233 108.800 -0.004 0.000 2.516 258 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.221 258 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.221 258 G C 0.915 175.804 174.900 -0.019 0.000 1.107 258 G CA 0.418 45.512 45.100 -0.010 0.000 0.747 258 G HN 0.321 nan 8.290 nan 0.000 0.567 259 M N 0.099 119.684 119.600 -0.027 0.000 2.035 259 M HA 0.243 4.723 4.480 -0.000 0.000 0.286 259 M C -2.295 173.990 176.300 -0.026 0.000 0.907 259 M CA -1.679 53.596 55.300 -0.041 0.000 0.935 259 M CB 2.840 35.389 32.600 -0.084 0.000 1.557 259 M HN -0.170 nan 8.290 nan 0.000 0.426 260 P HA -0.005 nan 4.420 nan 0.000 0.221 260 P C 0.011 177.322 177.300 0.017 0.000 1.155 260 P CA 0.999 64.106 63.100 0.012 0.000 0.812 260 P CB 0.379 32.087 31.700 0.014 0.000 0.801 261 E N -0.213 119.985 120.200 -0.002 0.000 3.012 261 E HA 0.087 4.437 4.350 -0.000 0.000 0.228 261 E C 1.108 177.678 176.600 -0.050 0.000 1.184 261 E CA -0.218 56.183 56.400 0.001 0.000 1.407 261 E CB 0.035 29.738 29.700 0.005 0.000 1.438 261 E HN 0.130 nan 8.360 nan 0.000 0.435 262 K N 0.231 120.565 120.400 -0.110 0.000 2.057 262 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 262 K C -0.010 176.353 176.600 -0.395 0.000 1.049 262 K CA 1.286 57.381 56.287 -0.320 0.000 0.931 262 K CB 0.227 32.417 32.500 -0.518 0.000 0.714 262 K HN 0.243 nan 8.250 nan 0.000 0.440 263 Y N -0.120 120.184 120.300 0.007 0.000 2.638 263 Y HA 0.275 4.825 4.550 -0.000 0.000 0.367 263 Y C 0.236 176.129 175.900 -0.012 0.000 1.001 263 Y CA -0.730 57.366 58.100 -0.007 0.000 1.133 263 Y CB 1.144 39.611 38.460 0.010 0.000 1.199 263 Y HN -0.038 nan 8.280 nan 0.000 0.642 264 M N -0.290 119.361 119.600 0.085 0.000 2.300 264 M HA 0.232 4.712 4.480 -0.000 0.000 0.313 264 M C -0.159 176.157 176.300 0.027 0.000 0.988 264 M CA 0.325 55.664 55.300 0.065 0.000 1.012 264 M CB 0.205 32.837 32.600 0.053 0.000 1.586 264 M HN 0.304 nan 8.290 nan 0.000 0.562 265 N N 1.151 119.853 118.700 0.003 0.000 2.806 265 N HA 0.270 5.009 4.740 -0.000 0.000 0.315 265 N C -1.136 174.326 175.510 -0.081 0.000 1.738 265 N CA -0.037 52.994 53.050 -0.031 0.000 0.993 265 N CB 0.876 39.345 38.487 -0.029 0.000 1.324 265 N HN 0.041 nan 8.380 nan 0.000 0.493 266 L N 1.677 122.816 121.223 -0.139 0.000 2.265 266 L HA 0.371 4.711 4.340 -0.000 0.000 0.289 266 L C 0.210 176.827 176.870 -0.422 0.000 1.033 266 L CA -0.882 53.744 54.840 -0.356 0.000 0.814 266 L CB 1.131 42.833 42.059 -0.594 0.000 1.203 266 L HN 0.038 nan 8.230 nan 0.000 0.423 267 V N 1.859 121.547 119.914 -0.376 0.000 2.381 267 V HA 0.277 4.397 4.120 -0.000 0.000 0.257 267 V C 0.110 175.879 176.094 -0.542 0.000 1.057 267 V CA -0.406 61.703 62.300 -0.318 0.000 1.013 267 V CB -0.929 30.789 31.823 -0.175 0.000 1.069 267 V HN 0.364 nan 8.190 nan 0.000 0.484 268 F N 5.290 125.011 119.950 -0.383 0.000 2.394 268 F HA 0.545 5.072 4.527 0.000 0.000 0.340 268 F C -1.457 174.100 175.800 -0.406 0.000 1.105 268 F CA -2.312 55.360 58.000 -0.546 0.000 1.124 268 F CB 1.229 39.861 39.000 -0.613 0.000 1.145 268 F HN 0.371 nan 8.300 nan 0.000 0.505 269 P HA 0.013 nan 4.420 nan 0.000 0.266 269 P C 0.375 177.572 177.300 -0.172 0.000 1.186 269 P CA 0.102 63.152 63.100 -0.083 0.000 0.767 269 P CB 0.594 32.288 31.700 -0.010 0.000 0.820 270 R N 2.378 122.792 120.500 -0.145 0.000 2.081 270 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 270 R C 1.425 177.636 176.300 -0.147 0.000 1.131 270 R CA 1.492 57.496 56.100 -0.160 0.000 0.960 270 R CB -0.333 29.907 30.300 -0.099 0.000 0.856 270 R HN 0.524 nan 8.270 nan 0.000 0.436 271 K N 0.798 121.141 120.400 -0.095 0.000 2.459 271 K HA 0.119 4.439 4.320 -0.000 0.000 0.193 271 K C 0.749 177.321 176.600 -0.047 0.000 1.030 271 K CA -0.118 56.136 56.287 -0.056 0.000 1.026 271 K CB 0.098 32.579 32.500 -0.031 0.000 0.809 271 K HN 0.089 nan 8.250 nan 0.000 0.504 272 L N 1.759 122.928 121.223 -0.090 0.000 2.660 272 L HA -0.140 4.200 4.340 -0.000 0.000 0.272 272 L C 0.698 177.592 176.870 0.039 0.000 1.194 272 L CA 0.540 55.353 54.840 -0.045 0.000 0.945 272 L CB 0.185 42.166 42.059 -0.131 0.000 1.212 272 L HN 0.479 nan 8.230 nan 0.000 0.490 273 C N 1.995 121.331 119.300 0.059 0.000 4.015 273 C HA 0.417 4.877 4.460 -0.000 0.000 0.323 273 C C 0.584 175.598 174.990 0.040 0.000 1.724 273 C CA -0.800 58.263 59.018 0.074 0.000 1.828 273 C CB -0.077 27.694 27.740 0.051 0.000 3.083 273 C HN 0.816 nan 8.230 nan 0.000 0.640 274 R N 1.764 122.281 120.500 0.029 0.000 2.483 274 R HA 0.830 5.170 4.340 -0.000 0.000 0.303 274 R C -0.942 175.360 176.300 0.003 0.000 0.987 274 R CA -0.043 56.057 56.100 0.000 0.000 0.881 274 R CB 1.610 31.901 30.300 -0.015 0.000 1.177 274 R HN 0.700 nan 8.270 nan 0.000 0.451 275 L N -1.120 120.093 121.223 -0.017 0.000 2.838 275 L HA 0.994 5.333 4.340 -0.000 0.000 0.266 275 L C -1.336 175.520 176.870 -0.024 0.000 1.040 275 L CA -0.843 53.997 54.840 -0.001 0.000 0.906 275 L CB 2.500 44.568 42.059 0.015 0.000 1.501 275 L HN 0.602 nan 8.230 nan 0.000 0.407 276 G N 1.966 110.777 108.800 0.018 0.000 2.334 276 G HA2 0.490 4.450 3.960 -0.000 0.000 0.290 276 G HA3 0.490 4.450 3.960 -0.000 0.000 0.290 276 G C -1.553 173.425 174.900 0.130 0.000 1.310 276 G CA -0.563 44.559 45.100 0.036 0.000 1.308 276 G HN 0.603 nan 8.290 nan 0.000 0.612 277 L N 1.898 123.189 121.223 0.114 0.000 2.276 277 L HA 0.450 4.790 4.340 -0.000 0.000 0.286 277 L C 0.639 177.575 176.870 0.110 0.000 1.061 277 L CA -0.691 54.257 54.840 0.180 0.000 0.807 277 L CB 1.621 43.758 42.059 0.130 0.000 1.177 277 L HN 0.408 nan 8.230 nan 0.000 0.429 278 S N 1.927 117.697 115.700 0.117 0.000 2.565 278 S HA 0.229 4.699 4.470 -0.000 0.000 0.276 278 S C -0.040 174.527 174.600 -0.054 0.000 1.326 278 S CA -0.227 57.913 58.200 -0.100 0.000 1.045 278 S CB 0.239 63.287 63.200 -0.253 0.000 0.918 278 S HN 0.635 nan 8.310 nan 0.000 0.505 279 Y N -1.885 118.481 120.300 0.109 0.000 4.881 279 Y HA -0.256 4.294 4.550 0.000 0.000 0.241 279 Y C 0.639 176.563 175.900 0.040 0.000 0.985 279 Y CA 0.453 58.596 58.100 0.073 0.000 1.976 279 Y CB -2.423 36.079 38.460 0.070 0.000 1.528 279 Y HN 0.725 nan 8.280 nan 0.000 0.581 280 M N 1.735 121.394 119.600 0.097 0.000 2.501 280 M HA 0.295 4.775 4.480 -0.000 0.000 0.363 280 M C 0.986 177.298 176.300 0.021 0.000 1.708 280 M CA 1.254 56.570 55.300 0.026 0.000 1.078 280 M CB 0.053 32.634 32.600 -0.032 0.000 2.107 280 M HN 0.370 nan 8.290 nan 0.000 0.466 281 G N 5.171 113.991 108.800 0.033 0.000 2.537 281 G HA2 0.507 4.466 3.960 -0.000 0.000 0.297 281 G HA3 0.507 4.466 3.960 -0.000 0.000 0.297 281 G C -2.452 172.452 174.900 0.007 0.000 1.310 281 G CA -1.201 43.919 45.100 0.033 0.000 1.027 281 G HN 0.566 nan 8.290 nan 0.000 0.505 282 P HA -0.039 nan 4.420 nan 0.000 0.221 282 P C 1.457 178.777 177.300 0.033 0.000 1.150 282 P CA 0.597 63.709 63.100 0.020 0.000 0.800 282 P CB 0.266 31.989 31.700 0.038 0.000 0.787 283 N N 0.005 118.733 118.700 0.047 0.000 2.188 283 N HA -0.124 4.616 4.740 -0.000 0.000 0.184 283 N C 1.438 176.986 175.510 0.064 0.000 1.018 283 N CA 1.148 54.237 53.050 0.065 0.000 0.858 283 N CB -0.389 38.146 38.487 0.081 0.000 0.989 283 N HN 0.379 nan 8.380 nan 0.000 0.426 284 E N 0.414 120.638 120.200 0.040 0.000 2.415 284 E HA -0.002 4.348 4.350 -0.000 0.000 0.197 284 E C 1.784 178.329 176.600 -0.091 0.000 1.007 284 E CA -0.096 56.311 56.400 0.011 0.000 0.890 284 E CB -0.446 29.235 29.700 -0.032 0.000 0.891 284 E HN 0.334 nan 8.360 nan 0.000 0.496 285 M N 1.833 121.356 119.600 -0.127 0.000 2.146 285 M HA -0.139 4.341 4.480 -0.000 0.000 0.256 285 M C -0.929 175.024 176.300 -0.579 0.000 1.075 285 M CA 2.022 57.159 55.300 -0.272 0.000 1.082 285 M CB -0.948 31.536 32.600 -0.193 0.000 1.355 285 M HN -0.057 nan 8.290 nan 0.000 0.402 286 P HA -0.106 nan 4.420 nan 0.000 0.225 286 P C 1.383 178.416 177.300 -0.444 0.000 1.148 286 P CA 1.288 64.004 63.100 -0.640 0.000 0.779 286 P CB -0.711 31.050 31.700 0.102 0.000 0.780 287 I N -4.813 115.617 120.570 -0.234 0.000 3.083 287 I HA -0.093 4.077 4.170 -0.000 0.000 0.273 287 I C 1.366 177.462 176.117 -0.035 0.000 1.297 287 I CA 1.206 62.494 61.300 -0.020 0.000 1.452 287 I CB -0.696 37.372 38.000 0.113 0.000 1.078 287 I HN -0.075 nan 8.210 nan 0.000 0.484 288 L N -0.508 120.473 121.223 -0.402 0.000 2.354 288 L HA 0.077 4.417 4.340 -0.000 0.000 0.212 288 L C 2.253 178.756 176.870 -0.611 0.000 1.091 288 L CA 0.358 54.815 54.840 -0.638 0.000 0.828 288 L CB -0.411 41.251 42.059 -0.662 0.000 0.973 288 L HN 0.106 nan 8.230 nan 0.000 0.461 289 F N 0.867 120.677 119.950 -0.234 0.000 2.115 289 F HA -0.153 4.374 4.527 0.000 0.000 0.300 289 F C -0.115 175.611 175.800 -0.124 0.000 1.092 289 F CA 1.000 58.895 58.000 -0.175 0.000 1.245 289 F CB -2.600 36.347 39.000 -0.088 0.000 0.995 289 F HN 0.108 nan 8.300 nan 0.000 0.481 290 P HA -0.214 nan 4.420 nan 0.000 0.220 290 P C 0.518 178.000 177.300 0.303 0.000 1.142 290 P CA 1.741 64.984 63.100 0.239 0.000 0.801 290 P CB -0.401 31.502 31.700 0.338 0.000 0.764 291 F N -7.028 112.949 119.950 0.045 0.000 2.895 291 F HA 0.650 5.177 4.527 -0.000 0.000 0.334 291 F C 1.292 177.094 175.800 0.003 0.000 1.252 291 F CA -0.395 57.614 58.000 0.015 0.000 1.056 291 F CB -0.810 38.188 39.000 -0.003 0.000 1.311 291 F HN -0.270 nan 8.300 nan 0.000 0.506 292 A N 1.227 123.874 122.820 -0.288 0.000 2.032 292 A HA 0.037 4.357 4.320 -0.000 0.000 0.221 292 A C 2.357 179.897 177.584 -0.073 0.000 1.165 292 A CA 1.927 53.825 52.037 -0.232 0.000 0.645 292 A CB -0.966 17.968 19.000 -0.109 0.000 0.807 292 A HN 0.749 nan 8.150 nan 0.000 0.453 293 A N -1.230 121.588 122.820 -0.004 0.000 2.076 293 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 293 A C 2.066 179.673 177.584 0.039 0.000 1.160 293 A CA 1.724 53.775 52.037 0.023 0.000 0.653 293 A CB -0.345 18.679 19.000 0.040 0.000 0.801 293 A HN 0.683 nan 8.150 nan 0.000 0.455 294 Q N -0.951 118.889 119.800 0.068 0.000 2.392 294 Q HA 0.234 4.574 4.340 -0.000 0.000 0.219 294 Q C -0.083 175.963 176.000 0.077 0.000 0.895 294 Q CA -0.260 55.600 55.803 0.094 0.000 0.929 294 Q CB 0.132 28.974 28.738 0.173 0.000 1.077 294 Q HN 0.640 nan 8.270 nan 0.000 0.532 295 I N 2.014 122.611 120.570 0.044 0.000 2.668 295 I HA -0.073 4.097 4.170 -0.000 0.000 0.285 295 I C 1.008 177.129 176.117 0.006 0.000 1.168 295 I CA 0.622 61.929 61.300 0.012 0.000 1.424 295 I CB 0.589 38.548 38.000 -0.069 0.000 1.377 295 I HN 0.196 nan 8.210 nan 0.000 0.560 296 R N 4.098 124.604 120.500 0.009 0.000 2.369 296 R HA 0.230 4.570 4.340 -0.000 0.000 0.210 296 R C 0.223 176.522 176.300 -0.002 0.000 0.881 296 R CA -0.178 55.926 56.100 0.007 0.000 1.031 296 R CB 0.562 30.869 30.300 0.012 0.000 1.184 296 R HN 0.424 nan 8.270 nan 0.000 0.581 297 K N 1.118 121.512 120.400 -0.011 0.000 2.427 297 K HA 0.393 4.713 4.320 -0.000 0.000 0.252 297 K C -1.868 174.713 176.600 -0.030 0.000 0.931 297 K CA -0.697 55.577 56.287 -0.021 0.000 0.793 297 K CB 1.629 34.110 32.500 -0.031 0.000 1.211 297 K HN -0.200 nan 8.250 nan 0.000 0.426 298 L N 2.976 124.182 121.223 -0.029 0.000 2.410 298 L HA 0.425 4.764 4.340 -0.000 0.000 0.270 298 L C -1.536 175.316 176.870 -0.031 0.000 0.983 298 L CA -0.243 54.575 54.840 -0.037 0.000 0.822 298 L CB 1.922 43.960 42.059 -0.036 0.000 1.285 298 L HN 0.664 nan 8.230 nan 0.000 0.409 299 D N 4.303 124.683 120.400 -0.033 0.000 2.456 299 D HA 0.278 4.918 4.640 -0.000 0.000 0.287 299 D C 0.027 176.313 176.300 -0.023 0.000 1.186 299 D CA -0.104 53.884 54.000 -0.020 0.000 0.916 299 D CB 0.312 41.114 40.800 0.002 0.000 1.029 299 D HN 0.503 nan 8.370 nan 0.000 0.498 300 L N 2.532 123.731 121.223 -0.039 0.000 2.715 300 L HA 0.110 4.449 4.340 -0.000 0.000 0.238 300 L C 1.850 178.667 176.870 -0.087 0.000 1.212 300 L CA -0.323 54.488 54.840 -0.049 0.000 1.017 300 L CB 0.096 42.136 42.059 -0.031 0.000 1.269 300 L HN 0.269 nan 8.230 nan 0.000 0.452 301 L N -0.054 121.044 121.223 -0.208 0.000 2.056 301 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 301 L C 1.235 177.749 176.870 -0.594 0.000 1.078 301 L CA 2.091 56.637 54.840 -0.489 0.000 0.749 301 L CB -0.487 41.086 42.059 -0.810 0.000 0.901 301 L HN 0.367 nan 8.230 nan 0.000 0.433 302 Y N -0.936 119.323 120.300 -0.069 0.000 2.751 302 Y HA 0.516 5.066 4.550 0.000 0.000 0.289 302 Y C 0.659 176.452 175.900 -0.179 0.000 1.110 302 Y CA -0.417 57.583 58.100 -0.167 0.000 1.251 302 Y CB -0.136 38.145 38.460 -0.299 0.000 1.178 302 Y HN 0.053 nan 8.280 nan 0.000 0.540 303 A N 0.387 123.198 122.820 -0.016 0.000 2.303 303 A HA 0.573 4.893 4.320 -0.000 0.000 0.317 303 A C -0.146 177.465 177.584 0.045 0.000 1.149 303 A CA -0.410 51.625 52.037 -0.002 0.000 0.822 303 A CB 0.722 19.693 19.000 -0.048 0.000 1.131 303 A HN 0.304 nan 8.150 nan 0.000 0.493 304 L N 2.502 123.767 121.223 0.069 0.000 3.036 304 L HA 0.262 4.602 4.340 -0.000 0.000 0.237 304 L C 0.038 176.944 176.870 0.059 0.000 1.319 304 L CA 0.568 55.464 54.840 0.093 0.000 1.112 304 L CB -1.083 41.056 42.059 0.134 0.000 1.480 304 L HN 0.659 nan 8.230 nan 0.000 0.506 305 L N -2.596 118.644 121.223 0.028 0.000 2.333 305 L HA 0.711 5.051 4.340 -0.000 0.000 0.269 305 L C -0.209 176.728 176.870 0.111 0.000 1.010 305 L CA -0.694 54.154 54.840 0.013 0.000 0.818 305 L CB 1.927 43.933 42.059 -0.087 0.000 1.306 305 L HN 0.086 nan 8.230 nan 0.000 0.430 306 E N 0.190 120.467 120.200 0.128 0.000 2.302 306 E HA 0.170 4.519 4.350 -0.000 0.000 0.255 306 E C 0.369 177.117 176.600 0.246 0.000 1.099 306 E CA -0.523 55.977 56.400 0.167 0.000 0.929 306 E CB 1.319 31.074 29.700 0.092 0.000 1.203 306 E HN 0.735 nan 8.360 nan 0.000 0.459 307 T N -0.266 114.372 114.554 0.140 0.000 2.699 307 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 307 T C 1.665 176.440 174.700 0.125 0.000 1.036 307 T CA 2.195 64.349 62.100 0.089 0.000 1.147 307 T CB -0.131 68.745 68.868 0.014 0.000 0.862 307 T HN 0.547 nan 8.240 nan 0.000 0.446 308 E N -0.135 120.122 120.200 0.096 0.000 2.051 308 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 308 E C 1.879 178.533 176.600 0.090 0.000 0.991 308 E CA 1.516 57.963 56.400 0.078 0.000 0.799 308 E CB -0.136 29.597 29.700 0.055 0.000 0.748 308 E HN 0.567 nan 8.360 nan 0.000 0.449 309 D N -0.182 120.274 120.400 0.092 0.000 2.221 309 D HA -0.176 4.464 4.640 -0.000 0.000 0.204 309 D C 1.813 178.136 176.300 0.040 0.000 0.982 309 D CA 0.866 54.900 54.000 0.058 0.000 0.857 309 D CB -0.292 40.523 40.800 0.025 0.000 0.934 309 D HN 0.412 nan 8.370 nan 0.000 0.475 310 H N 0.200 119.282 119.070 0.020 0.000 2.293 310 H HA -0.081 4.475 4.556 -0.000 0.000 0.300 310 H C 2.468 177.803 175.328 0.012 0.000 1.082 310 H CA 1.236 57.292 56.048 0.013 0.000 1.308 310 H CB -0.179 29.590 29.762 0.011 0.000 1.375 310 H HN 0.232 nan 8.280 nan 0.000 0.495 311 C N 0.280 119.672 119.300 0.153 0.000 2.413 311 C HA -0.162 4.298 4.460 -0.000 0.000 0.276 311 C C 3.132 178.133 174.990 0.018 0.000 1.248 311 C CA 1.653 60.718 59.018 0.078 0.000 1.742 311 C CB -1.262 26.517 27.740 0.066 0.000 2.017 311 C HN 0.734 nan 8.230 nan 0.000 0.481 312 T N -0.643 113.925 114.554 0.023 0.000 2.867 312 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 312 T C 1.683 176.394 174.700 0.018 0.000 1.057 312 T CA 1.347 63.442 62.100 -0.008 0.000 1.136 312 T CB -0.368 68.510 68.868 0.017 0.000 0.874 312 T HN 0.586 nan 8.240 nan 0.000 0.466 313 L N -0.039 121.221 121.223 0.061 0.000 2.084 313 L HA 0.117 4.457 4.340 -0.000 0.000 0.202 313 L C 2.612 179.484 176.870 0.003 0.000 1.074 313 L CA 0.842 55.731 54.840 0.081 0.000 0.757 313 L CB -0.268 41.789 42.059 -0.003 0.000 0.918 313 L HN 0.181 nan 8.230 nan 0.000 0.444 314 I N 0.075 120.644 120.570 -0.001 0.000 2.145 314 I HA -0.386 3.784 4.170 -0.000 0.000 0.244 314 I C 2.495 178.572 176.117 -0.066 0.000 1.075 314 I CA 1.541 62.842 61.300 0.002 0.000 1.332 314 I CB -1.452 36.581 38.000 0.055 0.000 1.033 314 I HN 0.543 nan 8.210 nan 0.000 0.410 315 Q N 1.454 121.148 119.800 -0.177 0.000 2.308 315 Q HA -0.198 4.142 4.340 -0.000 0.000 0.209 315 Q C 1.646 177.392 176.000 -0.423 0.000 0.985 315 Q CA 1.336 56.817 55.803 -0.536 0.000 0.881 315 Q CB 0.076 28.476 28.738 -0.564 0.000 0.917 315 Q HN 0.576 nan 8.270 nan 0.000 0.443 316 K N -1.269 119.018 120.400 -0.189 0.000 2.374 316 K HA 0.122 4.442 4.320 -0.000 0.000 0.196 316 K C 0.189 176.753 176.600 -0.059 0.000 1.023 316 K CA -0.059 56.158 56.287 -0.116 0.000 1.103 316 K CB 0.703 33.182 32.500 -0.035 0.000 0.848 316 K HN 0.062 nan 8.250 nan 0.000 0.528 317 C N 2.698 121.972 119.300 -0.043 0.000 3.003 317 C HA 0.233 4.693 4.460 -0.000 0.000 0.241 317 C C -1.382 173.623 174.990 0.026 0.000 1.224 317 C CA -1.330 57.680 59.018 -0.013 0.000 1.560 317 C CB 0.455 28.181 27.740 -0.024 0.000 1.768 317 C HN 0.232 nan 8.230 nan 0.000 0.440 318 P HA -0.072 nan 4.420 nan 0.000 0.226 318 P C 0.738 178.071 177.300 0.055 0.000 1.153 318 P CA 1.401 64.547 63.100 0.076 0.000 0.777 318 P CB 0.310 32.055 31.700 0.076 0.000 0.794 319 N N -0.589 118.134 118.700 0.037 0.000 2.236 319 N HA 0.062 4.802 4.740 -0.000 0.000 0.196 319 N C 0.519 176.045 175.510 0.027 0.000 1.114 319 N CA -0.341 52.728 53.050 0.032 0.000 0.859 319 N CB 0.072 38.576 38.487 0.029 0.000 0.982 319 N HN 0.122 nan 8.380 nan 0.000 0.493 320 L N 2.755 123.994 121.223 0.026 0.000 2.640 320 L HA -0.099 4.241 4.340 -0.000 0.000 0.280 320 L C 1.338 178.225 176.870 0.029 0.000 1.229 320 L CA 0.888 55.742 54.840 0.022 0.000 0.919 320 L CB 0.435 42.509 42.059 0.025 0.000 1.168 320 L HN 0.246 nan 8.230 nan 0.000 0.496 321 E N 3.211 123.425 120.200 0.023 0.000 2.485 321 E HA 0.189 4.539 4.350 -0.000 0.000 0.213 321 E C -0.387 176.230 176.600 0.028 0.000 0.923 321 E CA -0.152 56.265 56.400 0.028 0.000 1.054 321 E CB 0.419 30.133 29.700 0.025 0.000 1.077 321 E HN 0.353 nan 8.360 nan 0.000 0.509 322 V N 2.293 122.216 119.914 0.015 0.000 2.531 322 V HA 0.428 4.548 4.120 -0.000 0.000 0.301 322 V C -1.210 174.891 176.094 0.011 0.000 1.034 322 V CA -0.981 61.325 62.300 0.010 0.000 0.865 322 V CB 1.931 33.743 31.823 -0.018 0.000 0.995 322 V HN 0.213 nan 8.190 nan 0.000 0.424 323 L N 4.204 125.444 121.223 0.027 0.000 2.436 323 L HA 0.705 5.045 4.340 -0.000 0.000 0.268 323 L C -0.688 176.202 176.870 0.033 0.000 0.974 323 L CA 0.042 54.900 54.840 0.028 0.000 0.826 323 L CB 2.160 44.246 42.059 0.046 0.000 1.291 323 L HN 0.718 nan 8.230 nan 0.000 0.406 324 E N 3.105 123.314 120.200 0.015 0.000 2.199 324 E HA 0.625 4.975 4.350 -0.000 0.000 0.265 324 E C -1.157 175.443 176.600 -0.001 0.000 0.882 324 E CA -0.527 55.878 56.400 0.008 0.000 0.759 324 E CB 2.195 31.884 29.700 -0.019 0.000 1.148 324 E HN 0.698 nan 8.360 nan 0.000 0.412 325 T N 1.342 115.901 114.554 0.008 0.000 2.731 325 T HA 0.424 4.774 4.350 -0.000 0.000 0.300 325 T C -1.037 173.649 174.700 -0.023 0.000 1.283 325 T CA -0.677 61.432 62.100 0.014 0.000 1.005 325 T CB 1.187 70.118 68.868 0.105 0.000 1.420 325 T HN 0.325 nan 8.240 nan 0.000 0.503 326 R N 1.067 121.549 120.500 -0.029 0.000 2.553 326 R HA 0.363 4.703 4.340 -0.000 0.000 0.263 326 R C 1.653 177.909 176.300 -0.074 0.000 1.066 326 R CA -0.295 55.770 56.100 -0.058 0.000 1.135 326 R CB 0.340 30.606 30.300 -0.056 0.000 1.148 326 R HN 0.853 nan 8.270 nan 0.000 0.558 327 N N -0.282 118.379 118.700 -0.066 0.000 2.519 327 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 327 N C 1.108 176.559 175.510 -0.098 0.000 1.062 327 N CA 0.374 53.388 53.050 -0.059 0.000 0.910 327 N CB -0.093 38.377 38.487 -0.028 0.000 0.958 327 N HN 0.148 nan 8.380 nan 0.000 0.445 328 V N 1.454 121.298 119.914 -0.116 0.000 2.453 328 V HA -0.253 3.867 4.120 -0.000 0.000 0.252 328 V C 2.391 178.304 176.094 -0.302 0.000 1.068 328 V CA 1.306 63.522 62.300 -0.140 0.000 1.070 328 V CB -0.711 31.073 31.823 -0.065 0.000 0.664 328 V HN 0.355 nan 8.190 nan 0.000 0.461 329 I N 0.649 120.907 120.570 -0.521 0.000 2.227 329 I HA -0.127 4.043 4.170 -0.000 0.000 0.250 329 I C 1.297 177.269 176.117 -0.242 0.000 1.087 329 I CA 1.562 62.502 61.300 -0.600 0.000 1.352 329 I CB -0.796 37.001 38.000 -0.340 0.000 1.043 329 I HN 0.517 nan 8.210 nan 0.000 0.425 330 G N -0.386 108.328 108.800 -0.143 0.000 2.846 330 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.660 330 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.660 330 G C 0.386 175.267 174.900 -0.031 0.000 1.464 330 G CA -0.016 45.045 45.100 -0.065 0.000 0.891 330 G HN 0.316 nan 8.290 nan 0.000 0.552 331 D N 0.009 120.404 120.400 -0.009 0.000 2.104 331 D HA -0.124 4.516 4.640 -0.000 0.000 0.194 331 D C 2.394 178.701 176.300 0.012 0.000 0.994 331 D CA 1.544 55.548 54.000 0.007 0.000 0.830 331 D CB -0.042 40.765 40.800 0.012 0.000 0.959 331 D HN 0.542 nan 8.370 nan 0.000 0.452 332 R N 0.567 121.074 120.500 0.011 0.000 2.096 332 R HA -0.138 4.202 4.340 -0.000 0.000 0.240 332 R C 2.394 178.714 176.300 0.033 0.000 1.139 332 R CA 1.989 58.103 56.100 0.024 0.000 0.952 332 R CB -0.643 29.671 30.300 0.024 0.000 0.854 332 R HN 0.170 nan 8.270 nan 0.000 0.436 333 G N 0.785 109.596 108.800 0.017 0.000 2.446 333 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 333 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 333 G C 1.445 176.370 174.900 0.041 0.000 1.168 333 G CA 1.017 46.134 45.100 0.028 0.000 0.771 333 G HN 0.285 nan 8.290 nan 0.000 0.551 334 L N -0.051 121.186 121.223 0.024 0.000 2.079 334 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 334 L C 2.874 179.770 176.870 0.045 0.000 1.081 334 L CA 1.351 56.212 54.840 0.035 0.000 0.752 334 L CB -0.337 41.738 42.059 0.028 0.000 0.896 334 L HN 0.280 nan 8.230 nan 0.000 0.433 335 E N -0.621 119.604 120.200 0.042 0.000 2.077 335 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 335 E C 2.233 178.873 176.600 0.067 0.000 0.989 335 E CA 1.437 57.861 56.400 0.040 0.000 0.800 335 E CB -0.017 29.703 29.700 0.033 0.000 0.746 335 E HN 0.255 nan 8.360 nan 0.000 0.452 336 V N 1.142 121.122 119.914 0.109 0.000 2.255 336 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 336 V C 2.313 178.553 176.094 0.243 0.000 1.051 336 V CA 1.555 63.982 62.300 0.212 0.000 1.018 336 V CB -0.490 31.435 31.823 0.170 0.000 0.641 336 V HN 0.267 nan 8.190 nan 0.000 0.445 337 L N 0.855 122.167 121.223 0.149 0.000 2.081 337 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 337 L C 2.479 179.404 176.870 0.091 0.000 1.080 337 L CA 2.284 57.200 54.840 0.126 0.000 0.754 337 L CB -0.932 41.179 42.059 0.087 0.000 0.893 337 L HN 0.258 nan 8.230 nan 0.000 0.433 338 A N -0.895 121.956 122.820 0.052 0.000 1.940 338 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 338 A C 2.166 179.720 177.584 -0.049 0.000 1.176 338 A CA 2.046 54.083 52.037 -0.001 0.000 0.631 338 A CB -0.526 18.465 19.000 -0.016 0.000 0.814 338 A HN 0.720 nan 8.150 nan 0.000 0.446 339 Q N -2.714 117.022 119.800 -0.106 0.000 2.246 339 Q HA 0.092 4.432 4.340 -0.000 0.000 0.222 339 Q C 1.135 176.958 176.000 -0.296 0.000 0.851 339 Q CA 0.301 55.967 55.803 -0.228 0.000 0.945 339 Q CB -0.142 28.405 28.738 -0.318 0.000 1.122 339 Q HN 0.683 nan 8.270 nan 0.000 0.508 340 Y N 0.387 120.687 120.300 -0.001 0.000 2.397 340 Y HA 0.154 4.704 4.550 0.000 0.000 0.292 340 Y C 0.994 176.897 175.900 0.004 0.000 1.115 340 Y CA 0.191 58.292 58.100 0.001 0.000 1.208 340 Y CB 0.806 39.269 38.460 0.004 0.000 1.046 340 Y HN 0.127 nan 8.280 nan 0.000 0.552 341 C N 2.050 121.432 119.300 0.137 0.000 2.357 341 C HA 0.307 4.767 4.460 -0.000 0.000 0.300 341 C C 1.139 176.159 174.990 0.050 0.000 1.074 341 C CA -1.300 57.771 59.018 0.089 0.000 1.566 341 C CB -0.048 27.744 27.740 0.087 0.000 1.791 341 C HN 0.299 nan 8.230 nan 0.000 0.415 342 K N 0.962 121.382 120.400 0.033 0.000 2.314 342 K HA -0.007 4.312 4.320 -0.000 0.000 0.198 342 K C 1.500 178.115 176.600 0.025 0.000 1.045 342 K CA 0.882 57.179 56.287 0.015 0.000 0.988 342 K CB 0.211 32.712 32.500 0.000 0.000 0.783 342 K HN 0.661 nan 8.250 nan 0.000 0.484 343 Q N 0.637 120.457 119.800 0.032 0.000 2.403 343 Q HA 0.073 4.413 4.340 -0.000 0.000 0.203 343 Q C 0.550 176.574 176.000 0.040 0.000 0.932 343 Q CA -0.227 55.596 55.803 0.033 0.000 0.945 343 Q CB -0.541 28.215 28.738 0.031 0.000 1.045 343 Q HN 0.096 nan 8.270 nan 0.000 0.511 344 L N 2.272 123.523 121.223 0.046 0.000 2.578 344 L HA -0.119 4.221 4.340 -0.000 0.000 0.279 344 L C 1.026 177.935 176.870 0.064 0.000 1.227 344 L CA 0.905 55.778 54.840 0.055 0.000 0.900 344 L CB 0.528 42.623 42.059 0.061 0.000 1.144 344 L HN -0.057 nan 8.230 nan 0.000 0.496 345 K N 4.443 124.884 120.400 0.068 0.000 2.424 345 K HA 0.261 4.581 4.320 -0.000 0.000 0.198 345 K C -0.108 176.564 176.600 0.120 0.000 1.190 345 K CA 0.331 56.667 56.287 0.083 0.000 0.935 345 K CB 0.676 33.213 32.500 0.062 0.000 1.087 345 K HN 0.552 nan 8.250 nan 0.000 0.524 346 R N 0.903 121.470 120.500 0.112 0.000 2.574 346 R HA 0.452 4.792 4.340 -0.000 0.000 0.288 346 R C -1.420 174.977 176.300 0.162 0.000 1.004 346 R CA -0.744 55.458 56.100 0.170 0.000 0.895 346 R CB 1.900 32.227 30.300 0.045 0.000 1.191 346 R HN -0.114 nan 8.270 nan 0.000 0.444 347 L N 2.029 123.400 121.223 0.247 0.000 2.409 347 L HA 0.561 4.901 4.340 -0.000 0.000 0.272 347 L C -1.237 175.765 176.870 0.221 0.000 0.980 347 L CA -0.462 54.484 54.840 0.176 0.000 0.826 347 L CB 1.869 44.004 42.059 0.125 0.000 1.268 347 L HN 0.678 nan 8.230 nan 0.000 0.407 348 R N 5.906 126.507 120.500 0.167 0.000 2.513 348 R HA 0.666 5.006 4.340 -0.000 0.000 0.301 348 R C -1.543 174.816 176.300 0.097 0.000 0.968 348 R CA -0.611 55.591 56.100 0.170 0.000 0.872 348 R CB 1.272 31.690 30.300 0.197 0.000 1.177 348 R HN 0.738 nan 8.270 nan 0.000 0.444 349 I N 4.149 124.775 120.570 0.094 0.000 2.557 349 I HA 0.246 4.416 4.170 -0.000 0.000 0.277 349 I C 0.204 176.408 176.117 0.144 0.000 1.106 349 I CA -0.645 60.702 61.300 0.078 0.000 1.180 349 I CB 0.828 38.863 38.000 0.059 0.000 1.392 349 I HN 0.577 nan 8.210 nan 0.000 0.506 350 E N 4.096 124.350 120.200 0.091 0.000 2.425 350 E HA 0.074 4.424 4.350 -0.000 0.000 0.258 350 E C 0.326 176.848 176.600 -0.131 0.000 1.151 350 E CA -0.162 56.269 56.400 0.052 0.000 0.958 350 E CB 1.139 30.819 29.700 -0.033 0.000 0.968 350 E HN 0.515 nan 8.360 nan 0.000 0.451 351 R N -0.162 120.039 120.500 -0.499 0.000 2.297 351 R HA 0.527 4.867 4.340 -0.000 0.000 0.308 351 R C 0.409 176.553 176.300 -0.260 0.000 1.029 351 R CA -0.400 55.422 56.100 -0.463 0.000 0.929 351 R CB 0.966 30.767 30.300 -0.832 0.000 1.046 351 R HN 0.397 nan 8.270 nan 0.000 0.461 352 G N 1.569 110.279 108.800 -0.150 0.000 2.509 352 G HA2 0.417 4.377 3.960 -0.000 0.000 0.269 352 G HA3 0.417 4.377 3.960 -0.000 0.000 0.269 352 G C -0.622 174.237 174.900 -0.068 0.000 1.416 352 G CA -0.723 44.324 45.100 -0.087 0.000 1.052 352 G HN 0.853 nan 8.290 nan 0.000 0.542 353 A N 0.120 122.921 122.820 -0.032 0.000 2.541 353 A HA 0.287 4.607 4.320 -0.000 0.000 0.293 353 A C 0.364 177.935 177.584 -0.021 0.000 1.307 353 A CA -0.096 51.930 52.037 -0.020 0.000 0.978 353 A CB -0.281 18.720 19.000 0.001 0.000 1.111 353 A HN 0.475 nan 8.150 nan 0.000 0.535 354 D N 2.572 122.954 120.400 -0.030 0.000 2.870 354 D HA 0.070 4.710 4.640 -0.000 0.000 0.241 354 D C 0.779 177.073 176.300 -0.011 0.000 1.234 354 D CA 0.389 54.375 54.000 -0.023 0.000 0.844 354 D CB 0.485 41.266 40.800 -0.032 0.000 1.051 354 D HN 0.775 nan 8.370 nan 0.000 0.469 355 E N -0.247 119.950 120.200 -0.006 0.000 2.357 355 E HA 0.056 4.406 4.350 -0.000 0.000 0.190 355 E C 0.190 176.791 176.600 0.002 0.000 1.022 355 E CA -0.287 56.113 56.400 -0.001 0.000 1.068 355 E CB 0.214 29.915 29.700 0.002 0.000 1.465 355 E HN -0.020 nan 8.360 nan 0.000 0.503 356 Q N 1.801 121.603 119.800 0.004 0.000 2.534 356 Q HA 0.289 4.629 4.340 -0.000 0.000 0.223 356 Q C 0.422 176.425 176.000 0.005 0.000 1.239 356 Q CA 0.379 56.185 55.803 0.006 0.000 0.936 356 Q CB 0.278 29.021 28.738 0.008 0.000 1.457 356 Q HN 0.524 nan 8.270 nan 0.000 0.547 357 G N 2.264 111.066 108.800 0.004 0.000 2.682 357 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.256 357 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.256 357 G C 0.336 175.236 174.900 0.001 0.000 1.333 357 G CA -0.380 44.721 45.100 0.003 0.000 0.904 357 G HN 0.426 nan 8.290 nan 0.000 0.569 358 M N -0.423 119.177 119.600 -0.001 0.000 1.682 358 M HA 0.188 4.668 4.480 -0.000 0.000 0.110 358 M C 1.995 178.295 176.300 0.001 0.000 1.049 358 M CA 0.940 56.237 55.300 -0.005 0.000 0.634 358 M CB -0.960 31.636 32.600 -0.007 0.000 0.771 358 M HN 0.744 nan 8.290 nan 0.000 0.342 359 E N -0.243 119.957 120.200 0.001 0.000 2.447 359 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 359 E C -0.716 175.895 176.600 0.018 0.000 1.028 359 E CA 0.343 56.751 56.400 0.013 0.000 0.876 359 E CB 0.313 30.024 29.700 0.019 0.000 0.885 359 E HN 0.599 nan 8.360 nan 0.000 0.500 360 D N -1.341 119.066 120.400 0.012 0.000 2.921 360 D HA 0.020 4.660 4.640 -0.000 0.000 0.329 360 D C 0.191 176.496 176.300 0.009 0.000 1.293 360 D CA -0.647 53.361 54.000 0.015 0.000 0.964 360 D CB 0.010 40.823 40.800 0.022 0.000 1.435 360 D HN -0.233 nan 8.370 nan 0.000 0.548 361 E N -0.812 119.394 120.200 0.010 0.000 2.474 361 E HA 0.078 4.428 4.350 -0.000 0.000 0.194 361 E C 0.408 177.012 176.600 0.007 0.000 1.041 361 E CA 0.653 57.058 56.400 0.008 0.000 0.874 361 E CB 0.168 29.874 29.700 0.010 0.000 0.914 361 E HN 0.476 nan 8.360 nan 0.000 0.498 362 E N -1.243 118.960 120.200 0.006 0.000 2.498 362 E HA 0.141 4.491 4.350 -0.000 0.000 0.203 362 E C 1.005 177.599 176.600 -0.010 0.000 1.013 362 E CA 0.278 56.679 56.400 0.002 0.000 0.927 362 E CB 0.741 30.445 29.700 0.006 0.000 1.012 362 E HN 0.166 nan 8.360 nan 0.000 0.482 363 G N 1.592 110.385 108.800 -0.012 0.000 3.318 363 G HA2 0.159 4.119 3.960 -0.000 0.000 0.230 363 G HA3 0.159 4.119 3.960 -0.000 0.000 0.230 363 G C -0.069 174.818 174.900 -0.021 0.000 1.317 363 G CA 0.137 45.222 45.100 -0.025 0.000 1.197 363 G HN -0.070 nan 8.290 nan 0.000 0.514 364 L N 0.221 121.436 121.223 -0.013 0.000 2.346 364 L HA 0.567 4.907 4.340 -0.000 0.000 0.274 364 L C 0.129 176.997 176.870 -0.004 0.000 1.007 364 L CA -1.179 53.658 54.840 -0.005 0.000 0.818 364 L CB 2.217 44.277 42.059 0.002 0.000 1.284 364 L HN 0.008 nan 8.230 nan 0.000 0.424 365 V N -0.386 119.531 119.914 0.005 0.000 2.547 365 V HA 1.029 5.149 4.120 -0.000 0.000 0.299 365 V C -0.071 176.036 176.094 0.022 0.000 1.040 365 V CA -0.319 61.989 62.300 0.012 0.000 0.913 365 V CB 1.459 33.292 31.823 0.016 0.000 0.992 365 V HN 0.913 nan 8.190 nan 0.000 0.449 366 S N 2.044 117.760 115.700 0.027 0.000 2.705 366 S HA 0.449 4.919 4.470 -0.000 0.000 0.280 366 S C 0.529 175.154 174.600 0.042 0.000 1.174 366 S CA -0.338 57.880 58.200 0.031 0.000 0.823 366 S CB 1.637 64.852 63.200 0.025 0.000 1.162 366 S HN 0.691 nan 8.310 nan 0.000 0.487 367 Q N 0.865 120.692 119.800 0.044 0.000 2.142 367 Q HA -0.199 4.140 4.340 -0.000 0.000 0.213 367 Q C 2.107 178.135 176.000 0.048 0.000 1.004 367 Q CA 2.500 58.334 55.803 0.052 0.000 0.883 367 Q CB -0.520 28.245 28.738 0.046 0.000 0.939 367 Q HN 0.713 nan 8.270 nan 0.000 0.413 368 R N 0.033 120.555 120.500 0.037 0.000 2.097 368 R HA -0.171 4.169 4.340 -0.000 0.000 0.236 368 R C 2.356 178.676 176.300 0.034 0.000 1.135 368 R CA 1.899 58.018 56.100 0.032 0.000 0.934 368 R CB -0.907 29.409 30.300 0.025 0.000 0.846 368 R HN 0.416 nan 8.270 nan 0.000 0.431 369 G N 0.777 109.598 108.800 0.034 0.000 2.446 369 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 369 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 369 G C 1.512 176.440 174.900 0.047 0.000 1.168 369 G CA 0.953 46.074 45.100 0.035 0.000 0.771 369 G HN 0.265 nan 8.290 nan 0.000 0.551 370 L N -0.039 121.220 121.223 0.061 0.000 1.994 370 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 370 L C 2.723 179.642 176.870 0.081 0.000 1.071 370 L CA 1.073 55.964 54.840 0.085 0.000 0.745 370 L CB -0.331 41.792 42.059 0.108 0.000 0.892 370 L HN 0.256 nan 8.230 nan 0.000 0.431 371 I N -0.513 120.100 120.570 0.072 0.000 2.394 371 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 371 I C 2.554 178.698 176.117 0.045 0.000 1.136 371 I CA 1.139 62.483 61.300 0.074 0.000 1.425 371 I CB -0.004 38.039 38.000 0.072 0.000 1.079 371 I HN 0.197 nan 8.210 nan 0.000 0.425 372 A N 0.703 123.541 122.820 0.029 0.000 1.877 372 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 372 A C 2.203 179.781 177.584 -0.009 0.000 1.186 372 A CA 1.901 53.939 52.037 0.002 0.000 0.620 372 A CB -0.991 18.015 19.000 0.009 0.000 0.822 372 A HN 0.520 nan 8.150 nan 0.000 0.443 373 L N -0.168 121.067 121.223 0.020 0.000 2.046 373 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 373 L C 2.621 179.504 176.870 0.022 0.000 1.077 373 L CA 2.268 57.124 54.840 0.028 0.000 0.747 373 L CB -0.755 41.339 42.059 0.058 0.000 0.896 373 L HN 0.332 nan 8.230 nan 0.000 0.432 374 A N -1.048 121.800 122.820 0.047 0.000 1.986 374 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 374 A C 2.184 179.740 177.584 -0.047 0.000 1.171 374 A CA 2.093 54.175 52.037 0.074 0.000 0.640 374 A CB -0.541 18.550 19.000 0.151 0.000 0.811 374 A HN 0.731 nan 8.150 nan 0.000 0.451 375 Q N -1.313 118.376 119.800 -0.186 0.000 2.163 375 Q HA 0.021 4.361 4.340 -0.000 0.000 0.198 375 Q C 2.253 178.065 176.000 -0.314 0.000 0.954 375 Q CA 0.854 56.358 55.803 -0.498 0.000 0.851 375 Q CB -0.213 28.277 28.738 -0.412 0.000 0.928 375 Q HN 0.649 nan 8.270 nan 0.000 0.459 376 G N 0.593 109.299 108.800 -0.158 0.000 2.425 376 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.213 376 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.213 376 G C 0.570 175.433 174.900 -0.061 0.000 1.201 376 G CA 0.346 45.383 45.100 -0.105 0.000 0.799 376 G HN 0.347 nan 8.290 nan 0.000 0.534 377 C N 1.772 121.059 119.300 -0.022 0.000 2.225 377 C HA 0.426 4.886 4.460 -0.000 0.000 0.437 377 C C 1.407 176.416 174.990 0.031 0.000 1.039 377 C CA -0.714 58.313 59.018 0.014 0.000 1.406 377 C CB -0.764 27.000 27.740 0.040 0.000 1.548 377 C HN 0.511 nan 8.230 nan 0.000 0.515 378 Q N 0.167 119.979 119.800 0.021 0.000 2.451 378 Q HA -0.041 4.299 4.340 -0.000 0.000 0.206 378 Q C 1.430 177.467 176.000 0.063 0.000 0.947 378 Q CA 0.750 56.583 55.803 0.050 0.000 0.937 378 Q CB 0.324 29.091 28.738 0.049 0.000 1.025 378 Q HN 0.759 nan 8.270 nan 0.000 0.511 379 E N 0.376 120.609 120.200 0.055 0.000 2.489 379 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 379 E C -0.159 176.487 176.600 0.076 0.000 1.057 379 E CA -0.221 56.215 56.400 0.059 0.000 0.866 379 E CB 0.312 30.041 29.700 0.048 0.000 0.916 379 E HN 0.310 nan 8.360 nan 0.000 0.500 380 L N 1.654 122.930 121.223 0.088 0.000 2.615 380 L HA -0.118 4.222 4.340 -0.000 0.000 0.284 380 L C 1.138 178.085 176.870 0.129 0.000 1.237 380 L CA 0.901 55.810 54.840 0.115 0.000 0.905 380 L CB 0.318 42.453 42.059 0.127 0.000 1.149 380 L HN 0.176 nan 8.230 nan 0.000 0.499 381 E N 2.306 122.598 120.200 0.153 0.000 2.453 381 E HA 0.040 4.390 4.350 -0.000 0.000 0.211 381 E C -0.887 175.856 176.600 0.237 0.000 0.897 381 E CA -0.011 56.489 56.400 0.167 0.000 1.063 381 E CB 0.876 30.661 29.700 0.141 0.000 1.080 381 E HN 0.481 nan 8.360 nan 0.000 0.512 382 Y N 1.296 121.659 120.300 0.105 0.000 2.373 382 Y HA 0.512 5.062 4.550 -0.000 0.000 0.336 382 Y C -1.398 174.564 175.900 0.104 0.000 0.979 382 Y CA -0.922 57.243 58.100 0.108 0.000 1.080 382 Y CB 1.367 39.870 38.460 0.071 0.000 1.190 382 Y HN -0.194 nan 8.280 nan 0.000 0.446 383 M N 6.287 125.745 119.600 -0.237 0.000 2.149 383 M HA 0.777 5.257 4.480 -0.000 0.000 0.273 383 M C -1.989 174.048 176.300 -0.439 0.000 0.972 383 M CA -0.494 54.722 55.300 -0.140 0.000 0.984 383 M CB 1.160 33.816 32.600 0.092 0.000 1.699 383 M HN 0.847 nan 8.290 nan 0.000 0.462 384 A N 4.693 127.321 122.820 -0.320 0.000 2.343 384 A HA 0.847 5.167 4.320 -0.000 0.000 0.308 384 A C -1.555 175.929 177.584 -0.166 0.000 1.092 384 A CA -0.552 51.290 52.037 -0.325 0.000 0.751 384 A CB 1.547 20.427 19.000 -0.201 0.000 1.203 384 A HN 0.597 nan 8.150 nan 0.000 0.452 385 V N 2.575 122.332 119.914 -0.261 0.000 2.733 385 V HA 0.318 4.438 4.120 -0.000 0.000 0.306 385 V C -1.628 174.353 176.094 -0.187 0.000 1.084 385 V CA -0.429 61.790 62.300 -0.135 0.000 0.905 385 V CB 1.935 33.693 31.823 -0.109 0.000 1.010 385 V HN 0.812 nan 8.190 nan 0.000 0.424 386 Y N 3.290 123.541 120.300 -0.081 0.000 2.434 386 Y HA 0.578 5.128 4.550 -0.000 0.000 0.341 386 Y C 0.184 176.051 175.900 -0.056 0.000 0.965 386 Y CA -0.220 57.835 58.100 -0.076 0.000 1.205 386 Y CB 1.822 40.244 38.460 -0.064 0.000 1.121 386 Y HN 0.444 nan 8.280 nan 0.000 0.507 387 V N 2.833 122.779 119.914 0.053 0.000 2.713 387 V HA 0.303 4.423 4.120 -0.000 0.000 0.307 387 V C 0.388 176.504 176.094 0.037 0.000 1.052 387 V CA -0.115 62.207 62.300 0.036 0.000 0.967 387 V CB 2.043 33.873 31.823 0.012 0.000 1.019 387 V HN 0.860 nan 8.190 nan 0.000 0.459 388 S N 3.124 118.841 115.700 0.029 0.000 2.535 388 S HA 0.252 4.722 4.470 -0.000 0.000 0.214 388 S C -0.170 174.439 174.600 0.013 0.000 0.980 388 S CA -0.014 58.199 58.200 0.021 0.000 0.907 388 S CB -0.019 63.190 63.200 0.015 0.000 0.790 388 S HN 0.856 nan 8.310 nan 0.000 0.510 389 D N 0.291 120.701 120.400 0.016 0.000 2.711 389 D HA 0.408 5.048 4.640 -0.000 0.000 0.204 389 D C -1.587 174.728 176.300 0.026 0.000 1.257 389 D CA -0.549 53.461 54.000 0.016 0.000 0.808 389 D CB 0.850 41.660 40.800 0.016 0.000 1.780 389 D HN 0.018 nan 8.370 nan 0.000 0.537 390 I N 0.119 120.706 120.570 0.028 0.000 3.067 390 I HA 0.853 5.023 4.170 -0.000 0.000 0.312 390 I C -0.063 176.085 176.117 0.052 0.000 1.073 390 I CA -0.830 60.499 61.300 0.048 0.000 1.016 390 I CB 1.862 39.900 38.000 0.063 0.000 1.227 390 I HN 0.229 nan 8.210 nan 0.000 0.456 391 T N -0.065 114.528 114.554 0.066 0.000 2.909 391 T HA 0.356 4.706 4.350 -0.000 0.000 0.299 391 T C 0.492 175.237 174.700 0.075 0.000 1.073 391 T CA -0.576 61.561 62.100 0.061 0.000 0.999 391 T CB 1.110 70.007 68.868 0.049 0.000 1.098 391 T HN 0.661 nan 8.240 nan 0.000 0.477 392 N N 1.733 120.476 118.700 0.071 0.000 2.184 392 N HA -0.158 4.582 4.740 -0.000 0.000 0.190 392 N C 1.549 177.089 175.510 0.050 0.000 1.011 392 N CA 1.410 54.502 53.050 0.070 0.000 0.867 392 N CB 0.060 38.581 38.487 0.057 0.000 0.993 392 N HN 0.761 nan 8.380 nan 0.000 0.433 393 E N 0.904 121.130 120.200 0.043 0.000 2.058 393 E HA -0.173 4.176 4.350 -0.000 0.000 0.194 393 E C 1.997 178.622 176.600 0.041 0.000 0.997 393 E CA 1.661 58.081 56.400 0.033 0.000 0.801 393 E CB 0.087 29.808 29.700 0.034 0.000 0.746 393 E HN 0.399 nan 8.360 nan 0.000 0.450 394 S N 1.005 116.740 115.700 0.059 0.000 2.368 394 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 394 S C 2.182 176.824 174.600 0.071 0.000 1.030 394 S CA 1.184 59.429 58.200 0.075 0.000 0.999 394 S CB -0.759 62.494 63.200 0.089 0.000 0.844 394 S HN 0.305 nan 8.310 nan 0.000 0.459 395 L N 1.309 122.575 121.223 0.071 0.000 2.083 395 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 395 L C 2.859 179.712 176.870 -0.029 0.000 1.083 395 L CA 1.685 56.545 54.840 0.034 0.000 0.752 395 L CB -0.850 41.251 42.059 0.071 0.000 0.899 395 L HN 0.409 nan 8.230 nan 0.000 0.433 396 E N 0.357 120.544 120.200 -0.022 0.000 2.077 396 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 396 E C 2.318 178.882 176.600 -0.061 0.000 0.989 396 E CA 1.604 57.967 56.400 -0.061 0.000 0.800 396 E CB -0.050 29.618 29.700 -0.053 0.000 0.746 396 E HN 0.542 nan 8.360 nan 0.000 0.452 397 S N 1.031 116.730 115.700 -0.001 0.000 2.402 397 S HA -0.103 4.367 4.470 -0.000 0.000 0.229 397 S C 2.037 176.688 174.600 0.086 0.000 1.021 397 S CA 0.486 58.721 58.200 0.058 0.000 0.974 397 S CB -0.194 63.099 63.200 0.155 0.000 0.800 397 S HN 0.120 nan 8.310 nan 0.000 0.484 398 I N 2.742 123.337 120.570 0.042 0.000 2.076 398 I HA -0.142 4.028 4.170 -0.000 0.000 0.237 398 I C 2.844 178.939 176.117 -0.037 0.000 1.059 398 I CA 1.903 63.211 61.300 0.014 0.000 1.317 398 I CB -1.927 36.022 38.000 -0.085 0.000 1.037 398 I HN 0.470 nan 8.210 nan 0.000 0.398 399 G N -0.861 107.876 108.800 -0.105 0.000 2.535 399 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 399 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 399 G C 1.698 176.524 174.900 -0.124 0.000 1.122 399 G CA 1.250 46.272 45.100 -0.130 0.000 0.769 399 G HN 0.340 nan 8.290 nan 0.000 0.549 400 T N -1.426 113.044 114.554 -0.140 0.000 2.939 400 T HA 0.125 4.475 4.350 -0.000 0.000 0.254 400 T C 1.819 176.351 174.700 -0.280 0.000 1.041 400 T CA 0.580 62.523 62.100 -0.261 0.000 1.142 400 T CB -0.008 68.627 68.868 -0.390 0.000 0.874 400 T HN 0.412 nan 8.240 nan 0.000 0.452 401 Y N 0.373 120.660 120.300 -0.022 0.000 2.500 401 Y HA 0.347 4.897 4.550 -0.000 0.000 0.284 401 Y C 0.176 176.076 175.900 0.000 0.000 1.118 401 Y CA -0.403 57.692 58.100 -0.008 0.000 1.241 401 Y CB 0.534 38.994 38.460 -0.000 0.000 1.171 401 Y HN 0.088 nan 8.280 nan 0.000 0.540 402 L N -0.460 120.858 121.223 0.157 0.000 2.297 402 L HA 0.518 4.857 4.340 -0.000 0.000 0.277 402 L C 0.154 177.064 176.870 0.066 0.000 1.040 402 L CA -0.522 54.383 54.840 0.108 0.000 0.867 402 L CB 1.073 43.200 42.059 0.112 0.000 1.244 402 L HN -0.251 nan 8.230 nan 0.000 0.433 403 K N 1.790 122.224 120.400 0.056 0.000 2.137 403 K HA 0.057 4.377 4.320 -0.000 0.000 0.202 403 K C 0.857 177.481 176.600 0.040 0.000 1.052 403 K CA 0.998 57.304 56.287 0.032 0.000 0.961 403 K CB 0.046 32.560 32.500 0.023 0.000 0.741 403 K HN 0.803 nan 8.250 nan 0.000 0.452 404 N N 0.688 119.422 118.700 0.056 0.000 2.389 404 N HA 0.036 4.776 4.740 -0.000 0.000 0.237 404 N C -0.469 175.093 175.510 0.086 0.000 1.148 404 N CA -0.054 53.034 53.050 0.063 0.000 0.854 404 N CB -0.208 38.314 38.487 0.058 0.000 1.115 404 N HN 0.032 nan 8.380 nan 0.000 0.492 405 L N 0.269 121.548 121.223 0.093 0.000 2.534 405 L HA -0.027 4.313 4.340 -0.000 0.000 0.271 405 L C 0.316 177.266 176.870 0.133 0.000 1.178 405 L CA -0.069 54.848 54.840 0.127 0.000 0.907 405 L CB 0.386 42.520 42.059 0.125 0.000 1.164 405 L HN 0.403 nan 8.230 nan 0.000 0.482 406 C N 2.280 121.676 119.300 0.160 0.000 2.820 406 C HA 0.207 4.667 4.460 -0.000 0.000 0.323 406 C C 0.570 175.687 174.990 0.212 0.000 1.279 406 C CA -0.171 58.947 59.018 0.166 0.000 1.790 406 C CB -0.039 27.794 27.740 0.155 0.000 2.328 406 C HN 0.737 nan 8.230 nan 0.000 0.579 407 D N 0.047 120.576 120.400 0.214 0.000 2.542 407 D HA 0.377 5.017 4.640 -0.000 0.000 0.252 407 D C -1.644 174.714 176.300 0.096 0.000 1.222 407 D CA -0.104 54.007 54.000 0.185 0.000 0.895 407 D CB 0.958 41.875 40.800 0.195 0.000 1.207 407 D HN 0.198 nan 8.370 nan 0.000 0.558 408 F N 4.110 124.105 119.950 0.074 0.000 2.518 408 F HA 0.539 5.066 4.527 0.000 0.000 0.323 408 F C -0.931 174.870 175.800 0.001 0.000 1.129 408 F CA -0.596 57.429 58.000 0.042 0.000 0.920 408 F CB 1.060 40.179 39.000 0.198 0.000 1.160 408 F HN 0.162 nan 8.300 nan 0.000 0.440 409 R N 7.096 127.074 120.500 -0.871 0.000 2.532 409 R HA 0.635 4.975 4.340 -0.000 0.000 0.297 409 R C -2.044 173.746 176.300 -0.850 0.000 0.984 409 R CA -1.080 54.628 56.100 -0.654 0.000 0.884 409 R CB 2.439 32.538 30.300 -0.335 0.000 1.182 409 R HN 0.550 nan 8.270 nan 0.000 0.442 410 L N 3.625 124.486 121.223 -0.604 0.000 2.410 410 L HA 0.602 4.942 4.340 -0.000 0.000 0.270 410 L C -1.458 175.166 176.870 -0.410 0.000 0.983 410 L CA -0.792 53.773 54.840 -0.458 0.000 0.822 410 L CB 2.270 44.216 42.059 -0.188 0.000 1.285 410 L HN 0.442 nan 8.230 nan 0.000 0.409 411 V N 5.725 125.384 119.914 -0.424 0.000 2.623 411 V HA 0.382 4.502 4.120 -0.000 0.000 0.304 411 V C -0.482 175.502 176.094 -0.183 0.000 1.054 411 V CA -0.753 61.337 62.300 -0.351 0.000 0.882 411 V CB 2.166 33.565 31.823 -0.706 0.000 1.002 411 V HN 0.650 nan 8.190 nan 0.000 0.424 412 L N 4.943 126.124 121.223 -0.070 0.000 2.287 412 L HA 0.688 5.028 4.340 -0.000 0.000 0.287 412 L C -0.531 176.365 176.870 0.042 0.000 1.022 412 L CA -0.127 54.702 54.840 -0.018 0.000 0.814 412 L CB 0.925 42.954 42.059 -0.051 0.000 1.217 412 L HN 0.296 nan 8.230 nan 0.000 0.420 413 L N 3.264 124.525 121.223 0.062 0.000 2.483 413 L HA 0.133 4.473 4.340 -0.000 0.000 0.276 413 L C 0.984 177.867 176.870 0.023 0.000 1.213 413 L CA 0.528 55.405 54.840 0.061 0.000 0.843 413 L CB 0.048 42.139 42.059 0.053 0.000 1.107 413 L HN 0.724 nan 8.230 nan 0.000 0.487 414 D N 1.034 121.444 120.400 0.016 0.000 2.340 414 D HA -0.037 4.603 4.640 -0.000 0.000 0.220 414 D C 1.836 178.130 176.300 -0.011 0.000 1.039 414 D CA 0.157 54.150 54.000 -0.013 0.000 0.866 414 D CB 0.225 41.011 40.800 -0.022 0.000 0.913 414 D HN 0.359 nan 8.370 nan 0.000 0.523 415 R N 1.268 121.767 120.500 -0.001 0.000 2.094 415 R HA -0.108 4.232 4.340 -0.000 0.000 0.239 415 R C 0.455 176.752 176.300 -0.005 0.000 1.137 415 R CA 1.156 57.254 56.100 -0.002 0.000 0.943 415 R CB -0.140 30.161 30.300 0.000 0.000 0.850 415 R HN 0.003 nan 8.270 nan 0.000 0.433 416 E N 0.967 121.164 120.200 -0.005 0.000 2.373 416 E HA -0.027 4.322 4.350 -0.000 0.000 0.267 416 E C 0.697 177.290 176.600 -0.012 0.000 1.032 416 E CA 0.019 56.415 56.400 -0.006 0.000 0.889 416 E CB 0.938 30.636 29.700 -0.003 0.000 0.984 416 E HN 0.286 nan 8.360 nan 0.000 0.425 417 E N 2.178 122.372 120.200 -0.011 0.000 2.045 417 E HA -0.006 4.344 4.350 -0.000 0.000 0.190 417 E C 0.220 176.811 176.600 -0.015 0.000 0.968 417 E CA 0.877 57.268 56.400 -0.014 0.000 0.813 417 E CB 0.134 29.828 29.700 -0.011 0.000 0.780 417 E HN 0.350 nan 8.360 nan 0.000 0.455 418 R N 0.668 121.163 120.500 -0.009 0.000 2.407 418 R HA 0.506 4.846 4.340 -0.000 0.000 0.303 418 R C -0.514 175.785 176.300 -0.003 0.000 0.981 418 R CA -0.598 55.498 56.100 -0.006 0.000 0.905 418 R CB 1.143 31.442 30.300 -0.002 0.000 1.099 418 R HN -0.084 nan 8.270 nan 0.000 0.459 419 I N 1.918 122.487 120.570 -0.003 0.000 2.378 419 I HA 0.145 4.315 4.170 -0.000 0.000 0.291 419 I C 1.124 177.247 176.117 0.009 0.000 0.992 419 I CA 0.026 61.328 61.300 0.003 0.000 1.154 419 I CB 1.814 39.814 38.000 0.000 0.000 1.315 419 I HN 0.703 nan 8.210 nan 0.000 0.448 420 T N 3.347 117.909 114.554 0.014 0.000 2.152 420 T HA -0.272 4.078 4.350 -0.000 0.000 0.194 420 T C 0.290 175.002 174.700 0.019 0.000 1.715 420 T CA 2.046 64.156 62.100 0.017 0.000 1.135 420 T CB -0.460 68.421 68.868 0.021 0.000 0.856 420 T HN 0.817 nan 8.240 nan 0.000 0.393 421 D N 0.864 121.280 120.400 0.026 0.000 2.256 421 D HA 0.446 5.085 4.640 -0.000 0.000 0.240 421 D C 0.468 176.789 176.300 0.036 0.000 1.062 421 D CA -0.708 53.309 54.000 0.030 0.000 0.832 421 D CB 0.928 41.748 40.800 0.033 0.000 1.135 421 D HN 0.075 nan 8.370 nan 0.000 0.484 422 L N 3.301 124.544 121.223 0.033 0.000 2.228 422 L HA 0.368 4.708 4.340 -0.000 0.000 0.196 422 L C -1.765 175.140 176.870 0.057 0.000 1.162 422 L CA 0.196 55.058 54.840 0.037 0.000 0.801 422 L CB -1.314 40.757 42.059 0.020 0.000 0.983 422 L HN 0.444 nan 8.230 nan 0.000 0.471 423 P HA -0.036 nan 4.420 nan 0.000 0.256 423 P C 0.125 177.485 177.300 0.101 0.000 1.173 423 P CA 1.028 64.171 63.100 0.073 0.000 0.768 423 P CB 0.042 31.776 31.700 0.055 0.000 0.758 424 L N 2.298 123.608 121.223 0.146 0.000 2.653 424 L HA 0.037 4.377 4.340 -0.000 0.000 0.231 424 L C 1.276 178.255 176.870 0.182 0.000 1.153 424 L CA 0.083 55.033 54.840 0.183 0.000 0.933 424 L CB -0.332 41.901 42.059 0.290 0.000 1.175 424 L HN 0.254 nan 8.230 nan 0.000 0.473 425 D N 0.796 121.297 120.400 0.168 0.000 2.191 425 D HA -0.233 4.407 4.640 -0.000 0.000 0.195 425 D C 1.582 178.064 176.300 0.304 0.000 1.003 425 D CA 1.435 55.572 54.000 0.228 0.000 0.867 425 D CB -0.058 40.836 40.800 0.158 0.000 0.926 425 D HN 0.379 nan 8.370 nan 0.000 0.450 426 N N -0.104 118.700 118.700 0.174 0.000 2.395 426 N HA -0.002 4.737 4.740 -0.000 0.000 0.175 426 N C 1.953 177.454 175.510 -0.015 0.000 1.029 426 N CA 0.827 53.915 53.050 0.064 0.000 0.897 426 N CB -0.072 38.443 38.487 0.047 0.000 0.991 426 N HN 0.221 nan 8.380 nan 0.000 0.441 427 G N 1.614 110.434 108.800 0.034 0.000 2.414 427 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.215 427 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.215 427 G C 1.695 176.579 174.900 -0.026 0.000 1.188 427 G CA 0.827 45.937 45.100 0.017 0.000 0.783 427 G HN 0.125 nan 8.290 nan 0.000 0.537 428 V N 1.178 121.094 119.914 0.002 0.000 2.282 428 V HA -0.261 3.859 4.120 -0.000 0.000 0.249 428 V C 2.744 178.725 176.094 -0.189 0.000 1.057 428 V CA 2.323 64.549 62.300 -0.123 0.000 1.032 428 V CB -0.703 31.025 31.823 -0.160 0.000 0.645 428 V HN 0.387 nan 8.190 nan 0.000 0.447 429 R N 0.906 121.304 120.500 -0.171 0.000 2.094 429 R HA -0.214 4.126 4.340 -0.000 0.000 0.239 429 R C 2.551 178.590 176.300 -0.434 0.000 1.137 429 R CA 2.428 58.295 56.100 -0.388 0.000 0.943 429 R CB -0.503 29.429 30.300 -0.614 0.000 0.850 429 R HN 0.699 nan 8.270 nan 0.000 0.433 430 S N 1.297 116.806 115.700 -0.318 0.000 2.399 430 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 430 S C 1.940 176.387 174.600 -0.254 0.000 1.022 430 S CA 1.031 59.060 58.200 -0.285 0.000 0.983 430 S CB -0.461 62.618 63.200 -0.202 0.000 0.803 430 S HN 0.348 nan 8.310 nan 0.000 0.480 431 L N 2.259 123.339 121.223 -0.237 0.000 1.988 431 L HA 0.136 4.476 4.340 -0.000 0.000 0.207 431 L C 2.079 178.788 176.870 -0.269 0.000 1.071 431 L CA 1.552 56.245 54.840 -0.246 0.000 0.744 431 L CB -1.308 40.591 42.059 -0.267 0.000 0.893 431 L HN 0.322 nan 8.230 nan 0.000 0.433 432 L N -0.681 120.355 121.223 -0.311 0.000 2.187 432 L HA -0.227 4.113 4.340 -0.000 0.000 0.213 432 L C 2.503 179.250 176.870 -0.205 0.000 1.100 432 L CA 1.291 55.957 54.840 -0.290 0.000 0.765 432 L CB -0.432 41.458 42.059 -0.282 0.000 0.904 432 L HN 0.358 nan 8.230 nan 0.000 0.437 433 I N -1.013 119.398 120.570 -0.265 0.000 2.584 433 I HA -0.056 4.114 4.170 -0.000 0.000 0.255 433 I C 2.559 178.582 176.117 -0.158 0.000 1.145 433 I CA 0.954 62.117 61.300 -0.229 0.000 1.462 433 I CB -0.649 37.123 38.000 -0.379 0.000 1.102 433 I HN 0.186 nan 8.210 nan 0.000 0.433 434 G N 0.828 109.528 108.800 -0.167 0.000 2.394 434 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.215 434 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.215 434 G C 0.683 175.529 174.900 -0.090 0.000 1.165 434 G CA 0.206 45.230 45.100 -0.127 0.000 0.784 434 G HN 0.427 nan 8.290 nan 0.000 0.535 435 C N 2.196 121.437 119.300 -0.098 0.000 2.135 435 C HA 0.418 4.878 4.460 -0.000 0.000 0.345 435 C C 1.327 176.290 174.990 -0.045 0.000 1.067 435 C CA -1.140 57.844 59.018 -0.058 0.000 1.517 435 C CB -0.474 27.230 27.740 -0.060 0.000 1.923 435 C HN 0.586 nan 8.230 nan 0.000 0.466 436 K N 0.846 121.230 120.400 -0.026 0.000 2.404 436 K HA 0.105 4.425 4.320 -0.000 0.000 0.194 436 K C 0.962 177.567 176.600 0.008 0.000 1.023 436 K CA 0.227 56.505 56.287 -0.015 0.000 1.094 436 K CB 0.191 32.683 32.500 -0.013 0.000 0.841 436 K HN 0.527 nan 8.250 nan 0.000 0.523 437 K N 0.800 121.213 120.400 0.022 0.000 2.404 437 K HA 0.119 4.439 4.320 -0.000 0.000 0.194 437 K C 0.001 176.641 176.600 0.066 0.000 1.023 437 K CA -0.337 55.976 56.287 0.044 0.000 1.094 437 K CB 0.154 32.684 32.500 0.050 0.000 0.841 437 K HN 0.026 nan 8.250 nan 0.000 0.523 438 L N 1.841 123.102 121.223 0.062 0.000 2.584 438 L HA -0.078 4.262 4.340 -0.000 0.000 0.272 438 L C 1.062 178.005 176.870 0.121 0.000 1.195 438 L CA 0.905 55.806 54.840 0.102 0.000 0.920 438 L CB 0.252 42.349 42.059 0.063 0.000 1.173 438 L HN 0.040 nan 8.230 nan 0.000 0.489 439 R N 3.256 123.859 120.500 0.172 0.000 2.287 439 R HA 0.284 4.624 4.340 -0.000 0.000 0.197 439 R C -0.220 176.250 176.300 0.283 0.000 0.900 439 R CA -0.049 56.164 56.100 0.189 0.000 1.052 439 R CB 0.519 30.916 30.300 0.162 0.000 1.117 439 R HN 0.522 nan 8.270 nan 0.000 0.568 440 R N 0.432 121.148 120.500 0.359 0.000 2.621 440 R HA 0.377 4.717 4.340 -0.000 0.000 0.292 440 R C -1.578 175.050 176.300 0.546 0.000 0.969 440 R CA -0.647 55.789 56.100 0.560 0.000 0.887 440 R CB 2.200 32.869 30.300 0.614 0.000 1.180 440 R HN -0.129 nan 8.270 nan 0.000 0.450 441 F N 1.403 121.488 119.950 0.226 0.000 2.588 441 F HA 0.653 5.180 4.527 -0.000 0.000 0.318 441 F C -1.707 174.030 175.800 -0.105 0.000 1.155 441 F CA -0.470 57.606 58.000 0.127 0.000 0.967 441 F CB 1.974 41.044 39.000 0.117 0.000 1.236 441 F HN 0.700 nan 8.300 nan 0.000 0.455 442 A N 5.392 127.826 122.820 -0.644 0.000 2.374 442 A HA 0.806 5.126 4.320 -0.000 0.000 0.305 442 A C -2.313 174.963 177.584 -0.515 0.000 1.053 442 A CA -0.464 51.224 52.037 -0.580 0.000 0.726 442 A CB 0.975 19.815 19.000 -0.267 0.000 1.229 442 A HN 0.719 nan 8.150 nan 0.000 0.431 443 F N 2.298 121.927 119.950 -0.534 0.000 2.902 443 F HA 0.446 4.973 4.527 -0.000 0.000 0.368 443 F C -1.520 174.227 175.800 -0.089 0.000 1.202 443 F CA -0.466 57.348 58.000 -0.310 0.000 1.109 443 F CB 1.247 40.081 39.000 -0.275 0.000 1.418 443 F HN 0.583 nan 8.300 nan 0.000 0.527 444 Y N 6.757 126.846 120.300 -0.352 0.000 2.345 444 Y HA 0.701 5.251 4.550 -0.000 0.000 0.331 444 Y C -1.175 174.602 175.900 -0.205 0.000 0.959 444 Y CA -0.553 57.429 58.100 -0.197 0.000 1.204 444 Y CB 0.756 39.110 38.460 -0.176 0.000 1.135 444 Y HN 0.462 nan 8.280 nan 0.000 0.477 445 L N 3.918 125.084 121.223 -0.096 0.000 2.343 445 L HA 0.645 4.985 4.340 -0.000 0.000 0.264 445 L C -0.154 176.681 176.870 -0.058 0.000 1.050 445 L CA -1.421 53.374 54.840 -0.074 0.000 0.956 445 L CB 1.249 43.246 42.059 -0.102 0.000 1.576 445 L HN 0.418 nan 8.230 nan 0.000 0.521 446 R N -0.558 119.865 120.500 -0.129 0.000 2.705 446 R HA 0.194 4.534 4.340 -0.000 0.000 0.246 446 R C 0.755 176.940 176.300 -0.191 0.000 1.142 446 R CA -0.588 55.338 56.100 -0.289 0.000 1.114 446 R CB 1.035 31.216 30.300 -0.198 0.000 1.256 446 R HN 0.474 nan 8.270 nan 0.000 0.536 447 Q N 0.675 120.339 119.800 -0.225 0.000 2.002 447 Q HA -0.089 4.251 4.340 -0.000 0.000 0.204 447 Q C 1.659 177.643 176.000 -0.028 0.000 0.988 447 Q CA 2.390 58.147 55.803 -0.076 0.000 0.843 447 Q CB -0.889 27.808 28.738 -0.069 0.000 0.908 447 Q HN 0.925 nan 8.270 nan 0.000 0.420 448 G N -0.385 108.394 108.800 -0.036 0.000 2.615 448 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.213 448 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.213 448 G C 1.309 176.218 174.900 0.014 0.000 1.135 448 G CA 0.777 45.872 45.100 -0.009 0.000 0.772 448 G HN 0.501 nan 8.290 nan 0.000 0.542 449 G N -0.320 108.490 108.800 0.016 0.000 2.442 449 G HA2 0.084 4.044 3.960 -0.000 0.000 0.219 449 G HA3 0.084 4.044 3.960 -0.000 0.000 0.219 449 G C 0.316 175.279 174.900 0.105 0.000 1.141 449 G CA 0.650 45.779 45.100 0.049 0.000 0.763 449 G HN 0.437 nan 8.290 nan 0.000 0.554 450 L N 0.294 121.577 121.223 0.101 0.000 2.493 450 L HA 0.474 4.814 4.340 -0.000 0.000 0.265 450 L C 0.077 176.989 176.870 0.071 0.000 0.954 450 L CA -0.478 54.433 54.840 0.119 0.000 0.844 450 L CB 2.195 44.367 42.059 0.188 0.000 1.302 450 L HN 0.146 nan 8.230 nan 0.000 0.405 451 T N -1.116 113.464 114.554 0.042 0.000 2.918 451 T HA 0.297 4.647 4.350 -0.000 0.000 0.283 451 T C 0.636 175.332 174.700 -0.006 0.000 1.001 451 T CA -0.464 61.645 62.100 0.015 0.000 1.041 451 T CB 0.938 69.802 68.868 -0.006 0.000 1.028 451 T HN 0.582 nan 8.240 nan 0.000 0.511 452 D N 0.453 120.855 120.400 0.004 0.000 2.239 452 D HA -0.125 4.515 4.640 -0.000 0.000 0.202 452 D C 1.859 178.108 176.300 -0.085 0.000 0.993 452 D CA 0.656 54.655 54.000 -0.003 0.000 0.874 452 D CB -0.205 40.603 40.800 0.013 0.000 0.922 452 D HN 0.445 nan 8.370 nan 0.000 0.464 453 L N 0.550 121.682 121.223 -0.152 0.000 2.027 453 L HA -0.079 4.261 4.340 -0.000 0.000 0.206 453 L C 2.168 178.658 176.870 -0.632 0.000 1.074 453 L CA 2.068 56.705 54.840 -0.338 0.000 0.745 453 L CB -0.997 40.886 42.059 -0.295 0.000 0.898 453 L HN 0.104 nan 8.230 nan 0.000 0.433 454 G N 0.158 108.713 108.800 -0.409 0.000 2.421 454 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.216 454 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.216 454 G C 1.685 176.555 174.900 -0.050 0.000 1.171 454 G CA 0.795 45.746 45.100 -0.247 0.000 0.775 454 G HN 0.400 nan 8.290 nan 0.000 0.543 455 L N 1.385 122.604 121.223 -0.007 0.000 2.013 455 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 455 L C 3.278 180.240 176.870 0.154 0.000 1.073 455 L CA 2.178 57.062 54.840 0.072 0.000 0.753 455 L CB -0.306 41.786 42.059 0.054 0.000 0.890 455 L HN 0.475 nan 8.230 nan 0.000 0.432 456 S N -1.738 114.001 115.700 0.064 0.000 2.447 456 S HA -0.216 4.254 4.470 -0.000 0.000 0.233 456 S C 1.881 176.590 174.600 0.182 0.000 1.006 456 S CA 0.664 58.923 58.200 0.099 0.000 0.957 456 S CB -0.797 62.409 63.200 0.009 0.000 0.773 456 S HN 0.551 nan 8.310 nan 0.000 0.507 457 Y N 1.294 121.663 120.300 0.115 0.000 2.165 457 Y HA -0.090 4.460 4.550 -0.000 0.000 0.286 457 Y C 2.408 178.415 175.900 0.179 0.000 1.155 457 Y CA 1.042 59.254 58.100 0.187 0.000 1.164 457 Y CB -0.308 38.242 38.460 0.149 0.000 0.978 457 Y HN 0.290 nan 8.280 nan 0.000 0.513 458 I N -0.462 120.282 120.570 0.290 0.000 2.179 458 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 458 I C 2.722 178.928 176.117 0.149 0.000 1.088 458 I CA 1.429 62.837 61.300 0.180 0.000 1.357 458 I CB -0.873 37.271 38.000 0.240 0.000 1.051 458 I HN 0.224 nan 8.210 nan 0.000 0.409 459 G N -0.345 108.560 108.800 0.174 0.000 2.440 459 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 459 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 459 G C 1.596 176.396 174.900 -0.167 0.000 1.154 459 G CA 0.627 45.627 45.100 -0.167 0.000 0.767 459 G HN 0.390 nan 8.290 nan 0.000 0.552 460 Q N -1.083 118.641 119.800 -0.128 0.000 2.172 460 Q HA 0.001 4.341 4.340 -0.000 0.000 0.200 460 Q C 0.920 176.614 176.000 -0.509 0.000 0.964 460 Q CA 0.788 56.381 55.803 -0.350 0.000 0.855 460 Q CB 0.015 28.484 28.738 -0.448 0.000 0.918 460 Q HN 0.689 nan 8.270 nan 0.000 0.444 461 Y N -0.666 119.588 120.300 -0.076 0.000 2.720 461 Y HA 0.218 4.768 4.550 -0.000 0.000 0.277 461 Y C -0.148 175.665 175.900 -0.145 0.000 1.144 461 Y CA -0.522 57.508 58.100 -0.116 0.000 1.221 461 Y CB 1.049 39.421 38.460 -0.146 0.000 1.163 461 Y HN -0.020 nan 8.280 nan 0.000 0.537 462 S N -0.748 114.927 115.700 -0.042 0.000 2.060 462 S HA 0.265 4.735 4.470 -0.000 0.000 0.156 462 S C -2.240 172.331 174.600 -0.049 0.000 1.690 462 S CA -1.228 56.930 58.200 -0.070 0.000 1.238 462 S CB 0.852 63.984 63.200 -0.113 0.000 1.150 462 S HN 0.045 nan 8.310 nan 0.000 0.437 463 P HA 0.013 nan 4.420 nan 0.000 0.221 463 P C 0.394 177.693 177.300 -0.002 0.000 1.150 463 P CA 0.893 63.975 63.100 -0.030 0.000 0.800 463 P CB 0.128 31.814 31.700 -0.024 0.000 0.787 464 N N -0.767 117.941 118.700 0.013 0.000 2.282 464 N HA 0.050 4.790 4.740 -0.000 0.000 0.185 464 N C 0.202 175.756 175.510 0.073 0.000 1.099 464 N CA 0.096 53.170 53.050 0.041 0.000 0.878 464 N CB 0.290 38.802 38.487 0.042 0.000 0.993 464 N HN -0.019 nan 8.380 nan 0.000 0.481 465 V N 2.084 122.042 119.914 0.074 0.000 2.485 465 V HA 0.021 4.141 4.120 -0.000 0.000 0.287 465 V C 1.346 177.531 176.094 0.152 0.000 1.022 465 V CA 0.399 62.778 62.300 0.131 0.000 1.067 465 V CB 0.886 32.783 31.823 0.124 0.000 0.967 465 V HN 0.067 nan 8.190 nan 0.000 0.479 466 R N 2.944 123.568 120.500 0.208 0.000 2.206 466 R HA 0.151 4.491 4.340 -0.000 0.000 0.198 466 R C -0.011 176.487 176.300 0.329 0.000 0.986 466 R CA 0.205 56.441 56.100 0.226 0.000 1.029 466 R CB 0.463 30.884 30.300 0.202 0.000 0.966 466 R HN 0.759 nan 8.270 nan 0.000 0.487 467 W N 0.644 122.037 121.300 0.154 0.000 2.839 467 W HA 0.564 5.224 4.660 -0.000 0.000 0.334 467 W C -1.653 174.994 176.519 0.213 0.000 1.064 467 W CA -0.784 56.661 57.345 0.166 0.000 1.236 467 W CB 1.148 30.679 29.460 0.119 0.000 1.405 467 W HN -0.258 nan 8.180 nan 0.000 0.478 468 M N 6.929 126.159 119.600 -0.617 0.000 2.393 468 M HA 0.391 4.871 4.480 -0.000 0.000 0.299 468 M C -1.550 174.193 176.300 -0.929 0.000 1.103 468 M CA -1.230 53.649 55.300 -0.701 0.000 0.910 468 M CB 2.042 34.607 32.600 -0.057 0.000 1.659 468 M HN 0.409 nan 8.290 nan 0.000 0.445 469 L N 5.315 125.972 121.223 -0.943 0.000 2.316 469 L HA 0.638 4.978 4.340 -0.000 0.000 0.280 469 L C -1.895 174.849 176.870 -0.210 0.000 1.006 469 L CA -0.192 54.400 54.840 -0.413 0.000 0.836 469 L CB 0.914 42.830 42.059 -0.238 0.000 1.221 469 L HN 0.649 nan 8.230 nan 0.000 0.418 470 L N 5.466 126.624 121.223 -0.108 0.000 2.307 470 L HA 0.621 4.961 4.340 -0.000 0.000 0.284 470 L C 1.081 177.854 176.870 -0.163 0.000 1.023 470 L CA -0.461 54.325 54.840 -0.090 0.000 0.810 470 L CB 1.610 43.603 42.059 -0.110 0.000 1.231 470 L HN 0.787 nan 8.230 nan 0.000 0.423 471 G N 1.351 110.009 108.800 -0.236 0.000 2.948 471 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.174 471 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.174 471 G C -0.052 174.479 174.900 -0.615 0.000 1.839 471 G CA 0.314 44.974 45.100 -0.734 0.000 0.908 471 G HN 0.536 nan 8.290 nan 0.000 0.419 472 Y N 0.914 120.936 120.300 -0.463 0.000 2.833 472 Y HA 0.360 4.910 4.550 -0.000 0.000 0.339 472 Y C 1.063 176.848 175.900 -0.192 0.000 1.032 472 Y CA -0.976 56.932 58.100 -0.320 0.000 1.450 472 Y CB 0.047 38.342 38.460 -0.275 0.000 1.296 472 Y HN 0.247 nan 8.280 nan 0.000 0.535 473 V N -1.131 118.757 119.914 -0.043 0.000 3.237 473 V HA 0.819 4.939 4.120 -0.000 0.000 0.305 473 V C 0.800 176.910 176.094 0.027 0.000 1.096 473 V CA -0.075 62.252 62.300 0.044 0.000 1.130 473 V CB 0.474 32.349 31.823 0.086 0.000 1.048 473 V HN 0.629 nan 8.190 nan 0.000 0.484 474 G N 2.780 111.632 108.800 0.088 0.000 2.829 474 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.628 474 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.628 474 G C -0.186 174.739 174.900 0.043 0.000 1.412 474 G CA 0.388 45.562 45.100 0.124 0.000 0.864 474 G HN 1.102 nan 8.290 nan 0.000 0.544 475 E N -0.708 119.535 120.200 0.072 0.000 2.444 475 E HA 0.334 4.684 4.350 -0.000 0.000 0.209 475 E C 0.958 177.588 176.600 0.051 0.000 0.806 475 E CA 0.559 56.977 56.400 0.030 0.000 1.240 475 E CB 0.988 30.704 29.700 0.027 0.000 1.238 475 E HN 1.117 nan 8.360 nan 0.000 0.591 476 S N -0.029 115.751 115.700 0.133 0.000 2.625 476 S HA 0.184 4.654 4.470 -0.000 0.000 0.271 476 S C -0.468 174.307 174.600 0.291 0.000 1.161 476 S CA -0.711 57.588 58.200 0.165 0.000 0.820 476 S CB 1.490 64.744 63.200 0.090 0.000 1.137 476 S HN -0.141 nan 8.310 nan 0.000 0.470 477 D N 1.076 121.633 120.400 0.261 0.000 2.228 477 D HA -0.103 4.537 4.640 -0.000 0.000 0.203 477 D C 1.551 177.856 176.300 0.008 0.000 0.988 477 D CA 1.344 55.435 54.000 0.151 0.000 0.864 477 D CB -0.127 40.732 40.800 0.098 0.000 0.928 477 D HN 0.593 nan 8.370 nan 0.000 0.469 478 E N 0.355 120.580 120.200 0.042 0.000 2.114 478 E HA -0.183 4.167 4.350 -0.000 0.000 0.199 478 E C 2.328 178.924 176.600 -0.006 0.000 1.008 478 E CA 1.396 57.803 56.400 0.011 0.000 0.810 478 E CB -0.485 29.227 29.700 0.021 0.000 0.739 478 E HN 0.475 nan 8.360 nan 0.000 0.456 479 G N 1.423 110.238 108.800 0.025 0.000 2.421 479 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.216 479 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.216 479 G C 1.619 176.477 174.900 -0.070 0.000 1.171 479 G CA 0.748 45.859 45.100 0.019 0.000 0.775 479 G HN 0.218 nan 8.290 nan 0.000 0.543 480 L N 0.301 121.330 121.223 -0.322 0.000 2.046 480 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 480 L C 2.646 179.425 176.870 -0.152 0.000 1.077 480 L CA 1.983 56.507 54.840 -0.526 0.000 0.747 480 L CB -0.315 40.977 42.059 -1.279 0.000 0.896 480 L HN 0.273 nan 8.230 nan 0.000 0.432 481 M N -1.331 118.191 119.600 -0.130 0.000 2.132 481 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 481 M C 2.053 178.338 176.300 -0.024 0.000 1.065 481 M CA 1.568 56.831 55.300 -0.062 0.000 1.122 481 M CB -0.252 32.314 32.600 -0.057 0.000 1.365 481 M HN 0.271 nan 8.290 nan 0.000 0.411 482 E N 0.193 120.389 120.200 -0.008 0.000 2.085 482 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 482 E C 1.727 178.344 176.600 0.028 0.000 0.994 482 E CA 1.403 57.804 56.400 0.002 0.000 0.801 482 E CB -0.799 28.902 29.700 0.002 0.000 0.743 482 E HN 0.598 nan 8.360 nan 0.000 0.453 483 F N 2.186 122.082 119.950 -0.089 0.000 2.091 483 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 483 F C 2.540 178.294 175.800 -0.075 0.000 1.103 483 F CA 2.203 60.158 58.000 -0.074 0.000 1.228 483 F CB -0.572 38.376 39.000 -0.086 0.000 0.984 483 F HN 0.033 nan 8.300 nan 0.000 0.477 484 S N 1.186 116.849 115.700 -0.061 0.000 2.469 484 S HA -0.239 4.231 4.470 -0.000 0.000 0.238 484 S C 1.849 176.330 174.600 -0.198 0.000 0.998 484 S CA 0.948 59.045 58.200 -0.171 0.000 0.957 484 S CB -0.977 62.195 63.200 -0.046 0.000 0.764 484 S HN 0.730 nan 8.310 nan 0.000 0.514 485 R N 0.498 120.899 120.500 -0.165 0.000 2.310 485 R HA 0.378 4.718 4.340 -0.000 0.000 0.202 485 R C 1.252 177.448 176.300 -0.174 0.000 0.933 485 R CA 0.432 56.449 56.100 -0.139 0.000 1.054 485 R CB -0.378 29.865 30.300 -0.095 0.000 0.985 485 R HN 0.377 nan 8.270 nan 0.000 0.489 486 G N 0.392 109.037 108.800 -0.259 0.000 3.019 486 G HA2 0.267 4.227 3.960 -0.000 0.000 0.152 486 G HA3 0.267 4.227 3.960 -0.000 0.000 0.152 486 G C -0.515 174.206 174.900 -0.298 0.000 1.320 486 G CA -0.181 44.758 45.100 -0.268 0.000 1.013 486 G HN 0.331 nan 8.290 nan 0.000 0.593 487 C N 0.563 119.685 119.300 -0.297 0.000 3.442 487 C HA -0.090 4.370 4.460 -0.000 0.000 0.288 487 C C -0.820 174.087 174.990 -0.139 0.000 1.238 487 C CA -0.313 58.561 59.018 -0.240 0.000 2.320 487 C CB -2.083 25.426 27.740 -0.385 0.000 1.459 487 C HN 0.546 nan 8.230 nan 0.000 0.544 488 P HA -0.122 nan 4.420 nan 0.000 0.215 488 P C 0.833 178.121 177.300 -0.021 0.000 1.153 488 P CA 1.748 64.813 63.100 -0.059 0.000 0.853 488 P CB 0.041 31.712 31.700 -0.049 0.000 0.788 489 N N -1.547 117.153 118.700 -0.001 0.000 2.234 489 N HA 0.136 4.876 4.740 -0.000 0.000 0.227 489 N C -0.174 175.381 175.510 0.075 0.000 1.151 489 N CA -0.337 52.738 53.050 0.041 0.000 0.865 489 N CB 0.248 38.763 38.487 0.047 0.000 1.066 489 N HN 0.046 nan 8.380 nan 0.000 0.515 490 L N 1.764 123.024 121.223 0.062 0.000 2.477 490 L HA -0.003 4.337 4.340 -0.000 0.000 0.272 490 L C 0.823 177.788 176.870 0.159 0.000 1.157 490 L CA 0.843 55.750 54.840 0.112 0.000 0.889 490 L CB 0.887 42.992 42.059 0.077 0.000 1.158 490 L HN 0.332 nan 8.230 nan 0.000 0.473 491 Q N 3.164 123.092 119.800 0.214 0.000 2.462 491 Q HA 0.105 4.445 4.340 -0.000 0.000 0.224 491 Q C 0.036 176.234 176.000 0.331 0.000 0.911 491 Q CA 0.380 56.336 55.803 0.255 0.000 0.925 491 Q CB 0.881 29.758 28.738 0.231 0.000 1.063 491 Q HN 0.480 nan 8.270 nan 0.000 0.572 492 K N 0.944 121.559 120.400 0.358 0.000 2.345 492 K HA 0.429 4.749 4.320 -0.000 0.000 0.255 492 K C -1.897 174.944 176.600 0.402 0.000 0.934 492 K CA -0.563 55.996 56.287 0.454 0.000 0.801 492 K CB 1.409 34.178 32.500 0.449 0.000 1.137 492 K HN -0.079 nan 8.250 nan 0.000 0.424 493 L N 3.537 125.006 121.223 0.411 0.000 2.406 493 L HA 0.431 4.771 4.340 -0.000 0.000 0.272 493 L C -1.614 175.448 176.870 0.320 0.000 0.980 493 L CA 0.008 55.013 54.840 0.274 0.000 0.831 493 L CB 1.800 44.012 42.059 0.254 0.000 1.253 493 L HN 0.691 nan 8.230 nan 0.000 0.406 494 E N 6.453 126.801 120.200 0.246 0.000 2.191 494 E HA 0.619 4.969 4.350 -0.000 0.000 0.263 494 E C -1.289 175.422 176.600 0.185 0.000 0.881 494 E CA -0.403 56.233 56.400 0.393 0.000 0.757 494 E CB 1.872 31.894 29.700 0.536 0.000 1.147 494 E HN 0.579 nan 8.360 nan 0.000 0.414 495 M N 3.116 122.769 119.600 0.089 0.000 2.327 495 M HA 0.507 4.987 4.480 -0.000 0.000 0.298 495 M C -0.523 175.705 176.300 -0.121 0.000 1.065 495 M CA -0.829 54.449 55.300 -0.038 0.000 0.916 495 M CB 2.500 35.065 32.600 -0.058 0.000 1.630 495 M HN 0.383 nan 8.290 nan 0.000 0.442 496 R N 0.979 121.390 120.500 -0.149 0.000 2.795 496 R HA 0.792 5.132 4.340 -0.000 0.000 0.275 496 R C 0.093 176.102 176.300 -0.484 0.000 0.981 496 R CA -0.028 55.946 56.100 -0.210 0.000 0.917 496 R CB 1.973 32.276 30.300 0.006 0.000 1.202 496 R HN 0.919 nan 8.270 nan 0.000 0.469 497 G N 1.168 109.674 108.800 -0.490 0.000 2.314 497 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.292 497 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.292 497 G C -0.369 173.977 174.900 -0.924 0.000 1.059 497 G CA 0.269 44.846 45.100 -0.872 0.000 0.982 497 G HN 0.621 nan 8.290 nan 0.000 0.505 498 C N -1.085 117.895 119.300 -0.533 0.000 2.486 498 C HA 0.654 5.114 4.460 -0.000 0.000 0.348 498 C C 1.945 176.635 174.990 -0.501 0.000 1.203 498 C CA -0.098 58.566 59.018 -0.590 0.000 1.911 498 C CB 1.369 28.735 27.740 -0.623 0.000 2.340 498 C HN 1.101 nan 8.230 nan 0.000 0.511 499 C N -1.051 117.824 119.300 -0.708 0.000 2.780 499 C HA 0.456 4.916 4.460 -0.000 0.000 0.287 499 C C 0.344 175.168 174.990 -0.277 0.000 1.288 499 C CA -0.661 58.121 59.018 -0.394 0.000 1.713 499 C CB -2.510 25.061 27.740 -0.281 0.000 1.955 499 C HN 0.645 nan 8.230 nan 0.000 0.613 500 F N 2.690 122.634 119.950 -0.010 0.000 2.378 500 F HA 0.471 4.998 4.527 -0.000 0.000 0.319 500 F C 1.208 177.039 175.800 0.050 0.000 1.155 500 F CA -0.275 57.729 58.000 0.006 0.000 1.157 500 F CB 0.700 39.691 39.000 -0.016 0.000 1.252 500 F HN 0.219 nan 8.300 nan 0.000 0.550 501 S N -0.385 115.466 115.700 0.253 0.000 2.722 501 S HA 0.300 4.770 4.470 -0.000 0.000 0.292 501 S C 0.569 175.276 174.600 0.178 0.000 1.135 501 S CA -0.846 57.461 58.200 0.179 0.000 1.003 501 S CB 1.606 64.875 63.200 0.115 0.000 1.067 501 S HN 0.718 nan 8.310 nan 0.000 0.546 502 E N 1.075 121.388 120.200 0.187 0.000 2.049 502 E HA -0.222 4.128 4.350 -0.000 0.000 0.198 502 E C 2.263 178.905 176.600 0.070 0.000 1.007 502 E CA 1.413 57.900 56.400 0.146 0.000 0.809 502 E CB -0.241 29.554 29.700 0.157 0.000 0.749 502 E HN 0.687 nan 8.360 nan 0.000 0.450 503 R N 1.399 121.936 120.500 0.061 0.000 2.148 503 R HA -0.026 4.314 4.340 -0.000 0.000 0.227 503 R C 1.910 178.220 176.300 0.016 0.000 1.103 503 R CA 1.391 57.510 56.100 0.031 0.000 0.983 503 R CB -0.352 29.964 30.300 0.027 0.000 0.874 503 R HN 0.134 nan 8.270 nan 0.000 0.451 504 A N 2.287 125.124 122.820 0.029 0.000 1.872 504 A HA 0.005 4.325 4.320 -0.000 0.000 0.214 504 A C 2.412 179.973 177.584 -0.039 0.000 1.187 504 A CA 1.135 53.171 52.037 -0.002 0.000 0.614 504 A CB -0.286 18.733 19.000 0.032 0.000 0.826 504 A HN 0.230 nan 8.150 nan 0.000 0.442 505 I N 0.138 120.701 120.570 -0.011 0.000 2.099 505 I HA -0.304 3.866 4.170 -0.000 0.000 0.239 505 I C 3.009 179.107 176.117 -0.031 0.000 1.066 505 I CA 1.715 62.996 61.300 -0.032 0.000 1.324 505 I CB -1.499 36.479 38.000 -0.037 0.000 1.037 505 I HN 0.370 nan 8.210 nan 0.000 0.401 506 A N 0.923 123.732 122.820 -0.018 0.000 1.948 506 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 506 A C 2.571 180.126 177.584 -0.048 0.000 1.177 506 A CA 2.219 54.243 52.037 -0.022 0.000 0.636 506 A CB -0.766 18.230 19.000 -0.006 0.000 0.815 506 A HN 0.499 nan 8.150 nan 0.000 0.449 507 A N -0.151 122.644 122.820 -0.041 0.000 1.858 507 A HA 0.164 4.484 4.320 -0.000 0.000 0.216 507 A C 2.550 180.097 177.584 -0.062 0.000 1.190 507 A CA 2.159 54.166 52.037 -0.050 0.000 0.617 507 A CB -1.159 17.816 19.000 -0.041 0.000 0.827 507 A HN 1.137 nan 8.150 nan 0.000 0.443 508 A N -0.622 122.163 122.820 -0.059 0.000 1.940 508 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 508 A C 2.225 179.781 177.584 -0.047 0.000 1.176 508 A CA 1.876 53.885 52.037 -0.047 0.000 0.631 508 A CB -0.988 17.991 19.000 -0.035 0.000 0.814 508 A HN 0.417 nan 8.150 nan 0.000 0.446 509 V N -0.196 119.682 119.914 -0.059 0.000 2.407 509 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 509 V C 2.735 178.724 176.094 -0.175 0.000 1.055 509 V CA 2.458 64.695 62.300 -0.105 0.000 1.049 509 V CB -1.120 30.622 31.823 -0.136 0.000 0.662 509 V HN 0.645 nan 8.190 nan 0.000 0.455 510 T N -0.837 113.623 114.554 -0.157 0.000 2.821 510 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 510 T C 1.955 176.590 174.700 -0.107 0.000 1.046 510 T CA 1.384 63.393 62.100 -0.151 0.000 1.139 510 T CB -0.170 68.629 68.868 -0.114 0.000 0.871 510 T HN 0.381 nan 8.240 nan 0.000 0.454 511 K N 0.288 120.635 120.400 -0.088 0.000 2.211 511 K HA 0.111 4.431 4.320 -0.000 0.000 0.203 511 K C 0.216 176.768 176.600 -0.080 0.000 1.050 511 K CA 0.394 56.634 56.287 -0.078 0.000 0.945 511 K CB -0.206 32.249 32.500 -0.075 0.000 0.732 511 K HN 0.302 nan 8.250 nan 0.000 0.451 512 L N 2.729 123.905 121.223 -0.078 0.000 2.385 512 L HA 0.066 4.406 4.340 -0.000 0.000 0.281 512 L C -1.367 175.482 176.870 -0.035 0.000 1.106 512 L CA -1.308 53.494 54.840 -0.063 0.000 0.856 512 L CB 0.568 42.605 42.059 -0.036 0.000 1.186 512 L HN 0.066 nan 8.230 nan 0.000 0.453 513 P HA -0.137 nan 4.420 nan 0.000 0.215 513 P C 1.131 178.455 177.300 0.040 0.000 1.157 513 P CA 1.133 64.231 63.100 -0.004 0.000 0.868 513 P CB 0.421 32.112 31.700 -0.015 0.000 0.788 514 S N -1.122 114.612 115.700 0.056 0.000 2.517 514 S HA 0.119 4.589 4.470 -0.000 0.000 0.214 514 S C 0.812 175.516 174.600 0.174 0.000 0.991 514 S CA -0.502 57.760 58.200 0.102 0.000 0.906 514 S CB -0.541 62.710 63.200 0.085 0.000 0.789 514 S HN -0.001 nan 8.310 nan 0.000 0.513 515 L N 3.550 124.873 121.223 0.167 0.000 2.513 515 L HA 0.104 4.444 4.340 -0.000 0.000 0.272 515 L C 0.989 178.095 176.870 0.394 0.000 1.187 515 L CA 0.634 55.621 54.840 0.245 0.000 0.895 515 L CB 0.467 42.631 42.059 0.176 0.000 1.147 515 L HN 0.201 nan 8.230 nan 0.000 0.483 516 R N 3.108 123.905 120.500 0.495 0.000 2.531 516 R HA 0.227 4.567 4.340 -0.000 0.000 0.316 516 R C -0.801 175.884 176.300 0.643 0.000 0.955 516 R CA -0.475 56.027 56.100 0.671 0.000 1.120 516 R CB 0.151 30.812 30.300 0.602 0.000 1.361 516 R HN 0.492 nan 8.270 nan 0.000 0.534 517 Y N 0.717 121.267 120.300 0.416 0.000 2.399 517 Y HA 0.510 5.060 4.550 -0.000 0.000 0.327 517 Y C -2.145 173.953 175.900 0.331 0.000 1.111 517 Y CA -1.437 56.862 58.100 0.331 0.000 1.047 517 Y CB 2.131 40.765 38.460 0.291 0.000 1.259 517 Y HN 0.057 nan 8.280 nan 0.000 0.434 518 L N 7.559 128.844 121.223 0.102 0.000 2.409 518 L HA 0.584 4.924 4.340 -0.000 0.000 0.272 518 L C -2.069 174.844 176.870 0.071 0.000 0.980 518 L CA -0.505 54.444 54.840 0.183 0.000 0.826 518 L CB 1.336 43.520 42.059 0.209 0.000 1.268 518 L HN 0.707 nan 8.230 nan 0.000 0.407 519 W N 7.472 128.787 121.300 0.025 0.000 2.785 519 W HA 0.807 5.467 4.660 -0.000 0.000 0.333 519 W C -2.310 174.199 176.519 -0.016 0.000 1.062 519 W CA -0.853 56.480 57.345 -0.021 0.000 1.233 519 W CB 1.776 31.266 29.460 0.050 0.000 1.413 519 W HN 0.373 nan 8.180 nan 0.000 0.489 520 V N 5.125 124.405 119.914 -1.056 0.000 2.733 520 V HA 0.302 4.422 4.120 -0.000 0.000 0.306 520 V C -0.794 174.642 176.094 -1.097 0.000 1.084 520 V CA -0.669 61.070 62.300 -0.935 0.000 0.905 520 V CB 1.889 33.404 31.823 -0.512 0.000 1.010 520 V HN 0.620 nan 8.190 nan 0.000 0.424 521 Q N 2.237 121.571 119.800 -0.777 0.000 2.337 521 Q HA 0.636 4.976 4.340 -0.000 0.000 0.270 521 Q C -0.080 175.868 176.000 -0.086 0.000 1.043 521 Q CA 0.112 55.697 55.803 -0.362 0.000 0.794 521 Q CB 2.072 30.617 28.738 -0.320 0.000 1.281 521 Q HN 1.438 nan 8.270 nan 0.000 0.446 522 G N 3.269 112.138 108.800 0.116 0.000 3.421 522 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.656 522 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.656 522 G C -1.434 173.550 174.900 0.141 0.000 1.007 522 G CA 0.001 45.131 45.100 0.048 0.000 0.811 522 G HN 0.886 nan 8.290 nan 0.000 0.433 523 Y N -1.284 118.957 120.300 -0.097 0.000 2.620 523 Y HA 0.705 5.255 4.550 -0.000 0.000 0.331 523 Y C -0.231 175.644 175.900 -0.042 0.000 1.173 523 Y CA -2.029 56.026 58.100 -0.075 0.000 1.076 523 Y CB 0.720 39.150 38.460 -0.051 0.000 1.336 523 Y HN 0.587 nan 8.280 nan 0.000 0.459 524 R N 2.322 122.812 120.500 -0.017 0.000 2.402 524 R HA 0.539 4.879 4.340 -0.000 0.000 0.331 524 R C 0.415 176.673 176.300 -0.069 0.000 1.040 524 R CA 0.512 56.568 56.100 -0.072 0.000 0.980 524 R CB 0.391 30.692 30.300 0.003 0.000 0.967 524 R HN 0.853 nan 8.270 nan 0.000 0.440 525 A N 2.748 125.430 122.820 -0.229 0.000 2.768 525 A HA 0.528 4.848 4.320 -0.000 0.000 0.239 525 A C -0.041 177.530 177.584 -0.021 0.000 1.794 525 A CA 0.002 51.952 52.037 -0.145 0.000 0.853 525 A CB 0.495 19.335 19.000 -0.267 0.000 1.725 525 A HN 0.713 nan 8.150 nan 0.000 0.648 526 S N -3.565 112.133 115.700 -0.004 0.000 2.596 526 S HA 0.270 4.740 4.470 -0.000 0.000 0.305 526 S C 0.027 174.633 174.600 0.009 0.000 1.086 526 S CA 0.151 58.354 58.200 0.005 0.000 0.909 526 S CB 0.288 63.502 63.200 0.023 0.000 1.106 526 S HN 0.793 nan 8.310 nan 0.000 0.450 527 M N 3.135 122.735 119.600 -0.000 0.000 2.144 527 M HA -0.071 4.409 4.480 -0.000 0.000 0.260 527 M C 2.021 178.328 176.300 0.012 0.000 1.067 527 M CA 2.812 58.113 55.300 0.003 0.000 1.095 527 M CB -1.518 31.081 32.600 -0.002 0.000 1.365 527 M HN 0.970 nan 8.290 nan 0.000 0.406 528 T N -0.615 113.947 114.554 0.014 0.000 2.564 528 T HA -0.174 4.176 4.350 -0.000 0.000 0.264 528 T C 1.759 176.474 174.700 0.025 0.000 1.100 528 T CA 2.291 64.402 62.100 0.018 0.000 1.171 528 T CB -1.378 67.501 68.868 0.019 0.000 0.863 528 T HN 0.726 nan 8.240 nan 0.000 0.430 529 G N -0.051 108.770 108.800 0.036 0.000 2.241 529 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 529 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 529 G C 0.853 175.782 174.900 0.049 0.000 0.998 529 G CA 0.457 45.588 45.100 0.050 0.000 0.621 529 G HN 0.468 nan 8.290 nan 0.000 0.519 530 Q N 0.519 120.341 119.800 0.036 0.000 2.482 530 Q HA 0.089 4.429 4.340 -0.000 0.000 0.209 530 Q C 1.642 177.661 176.000 0.032 0.000 0.961 530 Q CA 1.469 57.290 55.803 0.030 0.000 0.945 530 Q CB -0.057 28.694 28.738 0.022 0.000 1.012 530 Q HN 0.734 nan 8.270 nan 0.000 0.515 531 D N -0.018 120.407 120.400 0.041 0.000 2.162 531 D HA -0.044 4.596 4.640 -0.000 0.000 0.203 531 D C 1.811 178.133 176.300 0.038 0.000 0.967 531 D CA 0.321 54.344 54.000 0.039 0.000 0.840 531 D CB 0.020 40.850 40.800 0.049 0.000 0.972 531 D HN 0.103 nan 8.370 nan 0.000 0.482 532 L N 0.281 121.532 121.223 0.047 0.000 2.051 532 L HA -0.226 4.114 4.340 -0.000 0.000 0.214 532 L C 2.110 179.004 176.870 0.040 0.000 1.076 532 L CA 0.765 55.627 54.840 0.038 0.000 0.758 532 L CB -0.322 41.758 42.059 0.035 0.000 0.890 532 L HN 0.172 nan 8.230 nan 0.000 0.433 533 M N -0.280 119.342 119.600 0.037 0.000 2.255 533 M HA -0.272 4.208 4.480 -0.000 0.000 0.259 533 M C 2.097 178.413 176.300 0.028 0.000 1.071 533 M CA 1.600 56.921 55.300 0.035 0.000 1.074 533 M CB -1.077 31.538 32.600 0.026 0.000 1.384 533 M HN 0.486 nan 8.290 nan 0.000 0.415 534 Q N 0.146 119.956 119.800 0.016 0.000 2.491 534 Q HA -0.074 4.266 4.340 -0.000 0.000 0.214 534 Q C 1.178 177.167 176.000 -0.019 0.000 0.970 534 Q CA 0.598 56.401 55.803 0.000 0.000 0.960 534 Q CB -0.491 28.245 28.738 -0.003 0.000 0.996 534 Q HN 0.746 nan 8.270 nan 0.000 0.524 535 M N -2.595 116.999 119.600 -0.009 0.000 2.346 535 M HA 0.512 4.992 4.480 -0.000 0.000 0.280 535 M C 0.282 176.555 176.300 -0.045 0.000 1.075 535 M CA -0.380 54.879 55.300 -0.068 0.000 0.989 535 M CB 0.696 33.249 32.600 -0.079 0.000 1.447 535 M HN 0.043 nan 8.290 nan 0.000 0.511 536 A N 2.540 125.384 122.820 0.040 0.000 2.524 536 A HA 0.290 4.610 4.320 -0.000 0.000 0.271 536 A C -0.153 177.458 177.584 0.046 0.000 1.097 536 A CA 0.236 52.322 52.037 0.082 0.000 0.791 536 A CB -0.345 18.689 19.000 0.055 0.000 1.028 536 A HN 0.710 nan 8.150 nan 0.000 0.518 537 R N 2.509 123.061 120.500 0.086 0.000 2.902 537 R HA 0.621 4.961 4.340 -0.000 0.000 0.258 537 R C -2.825 173.586 176.300 0.184 0.000 1.071 537 R CA -1.910 54.254 56.100 0.107 0.000 1.024 537 R CB 0.436 30.798 30.300 0.103 0.000 1.184 537 R HN 0.383 nan 8.270 nan 0.000 0.492 538 P HA 0.145 nan 4.420 nan 0.000 0.275 538 P C -0.985 176.484 177.300 0.282 0.000 1.227 538 P CA -0.108 63.031 63.100 0.064 0.000 0.781 538 P CB 0.215 31.910 31.700 -0.010 0.000 0.906 539 Y N -2.234 118.218 120.300 0.253 0.000 4.929 539 Y HA -0.208 4.341 4.550 -0.000 0.000 0.253 539 Y C 0.136 176.296 175.900 0.433 0.000 0.946 539 Y CA 0.500 58.799 58.100 0.331 0.000 1.905 539 Y CB -1.820 36.854 38.460 0.356 0.000 1.400 539 Y HN 0.505 nan 8.280 nan 0.000 0.531 540 W N 3.797 125.205 121.300 0.180 0.000 2.357 540 W HA 0.408 5.068 4.660 0.000 0.000 0.317 540 W C -0.495 175.921 176.519 -0.171 0.000 1.101 540 W CA -0.573 56.713 57.345 -0.097 0.000 1.380 540 W CB 0.518 29.875 29.460 -0.171 0.000 1.266 540 W HN -0.076 nan 8.180 nan 0.000 0.419 541 N N 5.542 123.837 118.700 -0.675 0.000 2.434 541 N HA 0.248 4.988 4.740 -0.000 0.000 0.272 541 N C -0.481 174.477 175.510 -0.920 0.000 1.040 541 N CA -0.226 52.391 53.050 -0.721 0.000 0.956 541 N CB 1.383 39.301 38.487 -0.948 0.000 1.108 541 N HN 0.420 nan 8.380 nan 0.000 0.481 542 I N -1.331 118.937 120.570 -0.504 0.000 2.530 542 I HA 0.599 4.768 4.170 -0.000 0.000 0.297 542 I C -0.468 175.542 176.117 -0.178 0.000 1.011 542 I CA -0.352 60.731 61.300 -0.362 0.000 1.107 542 I CB 1.718 39.608 38.000 -0.184 0.000 1.285 542 I HN 0.345 nan 8.210 nan 0.000 0.436 543 E N 5.731 125.880 120.200 -0.086 0.000 2.317 543 E HA 0.663 5.013 4.350 -0.000 0.000 0.270 543 E C -1.562 175.080 176.600 0.070 0.000 0.885 543 E CA -0.843 55.575 56.400 0.029 0.000 0.760 543 E CB 2.567 32.355 29.700 0.146 0.000 1.227 543 E HN 0.605 nan 8.360 nan 0.000 0.434 544 L N 3.448 124.722 121.223 0.086 0.000 2.346 544 L HA 0.645 4.985 4.340 -0.000 0.000 0.276 544 L C -0.502 176.443 176.870 0.126 0.000 1.006 544 L CA -0.673 54.228 54.840 0.100 0.000 0.817 544 L CB 1.228 43.333 42.059 0.077 0.000 1.272 544 L HN 0.389 nan 8.230 nan 0.000 0.421 545 I N 1.791 122.435 120.570 0.122 0.000 3.042 545 I HA 0.469 4.639 4.170 -0.000 0.000 0.310 545 I C -2.199 173.860 176.117 -0.097 0.000 1.117 545 I CA -1.689 59.658 61.300 0.078 0.000 1.003 545 I CB 2.620 40.737 38.000 0.195 0.000 1.228 545 I HN 0.380 nan 8.210 nan 0.000 0.443 546 P HA 0.255 nan 4.420 nan 0.000 0.250 546 P C -0.804 176.359 177.300 -0.228 0.000 1.202 546 P CA -0.192 62.832 63.100 -0.126 0.000 0.722 546 P CB 0.490 32.189 31.700 -0.002 0.000 1.432 547 S N -2.210 113.470 115.700 -0.034 0.000 2.714 547 S HA 0.478 4.948 4.470 -0.000 0.000 0.297 547 S C -1.495 173.154 174.600 0.082 0.000 0.993 547 S CA -0.721 57.488 58.200 0.016 0.000 0.844 547 S CB 0.180 63.376 63.200 -0.006 0.000 1.043 547 S HN 0.093 nan 8.310 nan 0.000 0.457 548 R N 1.237 121.765 120.500 0.047 0.000 3.142 548 R HA 0.627 4.967 4.340 -0.000 0.000 0.260 548 R C -0.625 175.692 176.300 0.028 0.000 1.129 548 R CA -0.736 55.400 56.100 0.061 0.000 0.976 548 R CB 0.544 30.883 30.300 0.065 0.000 1.396 548 R HN 0.920 nan 8.270 nan 0.000 0.434 564 H N 3.125 122.227 119.070 0.053 0.000 2.887 564 H HA 0.324 4.880 4.556 -0.000 0.000 0.300 564 H C -2.180 173.185 175.328 0.062 0.000 1.038 564 H CA -1.918 54.183 56.048 0.088 0.000 1.352 564 H CB 1.346 31.174 29.762 0.109 0.000 1.473 564 H HN 0.394 nan 8.280 nan 0.000 0.503 565 P HA -0.016 nan 4.420 nan 0.000 0.270 565 P C 0.011 177.387 177.300 0.127 0.000 1.221 565 P CA -0.371 62.791 63.100 0.104 0.000 0.788 565 P CB 0.685 32.433 31.700 0.079 0.000 0.904 566 A N 1.362 124.233 122.820 0.086 0.000 2.498 566 A HA 0.091 4.411 4.320 -0.000 0.000 0.239 566 A C 0.183 177.941 177.584 0.291 0.000 1.068 566 A CA 0.147 52.264 52.037 0.133 0.000 0.766 566 A CB -0.708 18.388 19.000 0.160 0.000 1.003 566 A HN 0.641 nan 8.150 nan 0.000 0.497 567 H N 0.168 119.270 119.070 0.053 0.000 2.502 567 H HA 0.576 5.131 4.556 -0.000 0.000 0.338 567 H C -0.764 174.484 175.328 -0.133 0.000 1.155 567 H CA -0.760 55.188 56.048 -0.166 0.000 1.237 567 H CB 1.541 31.259 29.762 -0.074 0.000 1.534 567 H HN 0.541 nan 8.280 nan 0.000 0.523 568 I N 2.930 123.373 120.570 -0.211 0.000 2.433 568 I HA 0.168 4.338 4.170 -0.000 0.000 0.292 568 I C -1.143 174.914 176.117 -0.099 0.000 1.001 568 I CA -0.717 60.480 61.300 -0.172 0.000 1.119 568 I CB 1.873 39.666 38.000 -0.345 0.000 1.289 568 I HN 0.206 nan 8.210 nan 0.000 0.438 569 L N 6.908 128.143 121.223 0.019 0.000 2.406 569 L HA 0.890 5.230 4.340 -0.000 0.000 0.272 569 L C -0.947 175.866 176.870 -0.094 0.000 0.980 569 L CA -0.078 54.791 54.840 0.049 0.000 0.831 569 L CB 1.532 43.733 42.059 0.236 0.000 1.253 569 L HN 0.688 nan 8.230 nan 0.000 0.406 570 A N 4.352 127.016 122.820 -0.260 0.000 2.449 570 A HA 0.878 5.198 4.320 -0.000 0.000 0.302 570 A C -1.858 175.235 177.584 -0.818 0.000 1.048 570 A CA -0.395 51.236 52.037 -0.676 0.000 0.708 570 A CB 1.238 19.779 19.000 -0.765 0.000 1.274 570 A HN 0.890 nan 8.150 nan 0.000 0.410 571 Y N -1.476 118.188 120.300 -1.060 0.000 2.609 571 Y HA 0.698 5.248 4.550 -0.000 0.000 0.336 571 Y C -1.210 174.416 175.900 -0.456 0.000 1.129 571 Y CA -1.540 56.204 58.100 -0.593 0.000 1.040 571 Y CB 0.703 39.100 38.460 -0.106 0.000 1.310 571 Y HN 0.584 nan 8.280 nan 0.000 0.460 572 Y N 1.401 121.847 120.300 0.243 0.000 2.309 572 Y HA 0.484 5.034 4.550 -0.000 0.000 0.327 572 Y C 0.584 176.716 175.900 0.387 0.000 1.172 572 Y CA 0.409 58.724 58.100 0.358 0.000 1.280 572 Y CB 1.572 40.293 38.460 0.435 0.000 1.234 572 Y HN 0.726 nan 8.280 nan 0.000 0.512 573 S N 3.448 119.477 115.700 0.548 0.000 2.566 573 S HA 0.310 4.780 4.470 -0.000 0.000 0.273 573 S C -0.351 174.514 174.600 0.443 0.000 1.157 573 S CA -0.772 57.710 58.200 0.471 0.000 0.938 573 S CB 0.578 64.078 63.200 0.499 0.000 1.087 573 S HN 0.747 nan 8.310 nan 0.000 0.474 574 L N 3.476 124.902 121.223 0.338 0.000 2.627 574 L HA 0.266 4.606 4.340 -0.000 0.000 0.233 574 L C 1.973 179.029 176.870 0.311 0.000 1.144 574 L CA 0.707 55.736 54.840 0.315 0.000 0.892 574 L CB -0.406 41.746 42.059 0.154 0.000 1.039 574 L HN 0.776 nan 8.230 nan 0.000 0.442 575 A N -0.579 122.416 122.820 0.292 0.000 2.108 575 A HA 0.559 4.879 4.320 -0.000 0.000 0.206 575 A C 1.208 178.899 177.584 0.178 0.000 1.212 575 A CA 0.574 52.743 52.037 0.221 0.000 0.843 575 A CB 0.221 19.365 19.000 0.240 0.000 0.902 575 A HN 0.399 nan 8.150 nan 0.000 0.477 576 G N -0.805 108.105 108.800 0.184 0.000 2.631 576 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.504 576 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.504 576 G C -0.646 174.309 174.900 0.092 0.000 1.306 576 G CA -0.396 44.766 45.100 0.104 0.000 0.897 576 G HN 0.534 nan 8.290 nan 0.000 0.520 577 Q N 0.306 120.126 119.800 0.034 0.000 2.352 577 Q HA 0.439 4.778 4.340 -0.000 0.000 0.260 577 Q C 0.862 176.872 176.000 0.017 0.000 0.976 577 Q CA -0.061 55.746 55.803 0.007 0.000 0.881 577 Q CB 0.502 29.222 28.738 -0.031 0.000 1.235 577 Q HN 0.559 nan 8.270 nan 0.000 0.419 578 R N 1.284 121.774 120.500 -0.016 0.000 2.537 578 R HA 0.038 4.378 4.340 -0.000 0.000 0.280 578 R C 0.804 177.072 176.300 -0.055 0.000 1.058 578 R CA 0.061 56.132 56.100 -0.048 0.000 1.057 578 R CB 0.014 30.125 30.300 -0.316 0.000 0.973 578 R HN 0.583 nan 8.270 nan 0.000 0.438 579 T N 0.855 115.401 114.554 -0.012 0.000 2.867 579 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 579 T C 0.714 175.386 174.700 -0.047 0.000 1.057 579 T CA 1.616 63.701 62.100 -0.025 0.000 1.136 579 T CB -0.207 68.655 68.868 -0.011 0.000 0.874 579 T HN 0.770 nan 8.240 nan 0.000 0.466 580 D N 0.337 120.711 120.400 -0.044 0.000 2.434 580 D HA 0.109 4.749 4.640 -0.000 0.000 0.232 580 D C -0.173 176.093 176.300 -0.058 0.000 1.166 580 D CA -0.497 53.482 54.000 -0.037 0.000 0.830 580 D CB -1.443 39.385 40.800 0.048 0.000 0.960 580 D HN 0.205 nan 8.370 nan 0.000 0.497 581 C N 1.669 120.900 119.300 -0.115 0.000 2.657 581 C HA 0.237 4.697 4.460 -0.000 0.000 0.420 581 C C -1.413 173.548 174.990 -0.048 0.000 1.323 581 C CA -0.837 58.103 59.018 -0.131 0.000 1.894 581 C CB -0.054 27.615 27.740 -0.117 0.000 2.681 581 C HN 0.384 nan 8.230 nan 0.000 0.613 582 P HA 0.185 nan 4.420 nan 0.000 0.275 582 P C 0.817 178.129 177.300 0.020 0.000 1.270 582 P CA -0.039 63.078 63.100 0.027 0.000 0.791 582 P CB 0.297 32.034 31.700 0.062 0.000 1.089 583 T N -1.093 113.479 114.554 0.030 0.000 2.942 583 T HA -0.072 4.278 4.350 -0.000 0.000 0.265 583 T C 1.431 176.152 174.700 0.034 0.000 1.062 583 T CA 1.796 63.911 62.100 0.025 0.000 1.139 583 T CB -0.947 67.936 68.868 0.024 0.000 0.883 583 T HN 0.612 nan 8.240 nan 0.000 0.468 584 T N 0.047 114.632 114.554 0.050 0.000 3.098 584 T HA 0.089 4.439 4.350 -0.000 0.000 0.266 584 T C 0.586 175.329 174.700 0.072 0.000 1.145 584 T CA 0.153 62.289 62.100 0.060 0.000 1.092 584 T CB -0.270 68.643 68.868 0.076 0.000 0.908 584 T HN 0.088 nan 8.240 nan 0.000 0.526 585 V N 1.347 121.302 119.914 0.069 0.000 2.409 585 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 585 V C -0.040 176.080 176.094 0.044 0.000 1.020 585 V CA -1.147 61.204 62.300 0.084 0.000 0.848 585 V CB 1.760 33.648 31.823 0.108 0.000 0.990 585 V HN 0.233 nan 8.190 nan 0.000 0.430 586 R N 2.854 123.383 120.500 0.049 0.000 2.460 586 R HA 0.707 5.047 4.340 -0.000 0.000 0.303 586 R C -1.252 175.058 176.300 0.016 0.000 0.968 586 R CA -0.523 55.592 56.100 0.026 0.000 0.889 586 R CB 1.967 32.285 30.300 0.029 0.000 1.123 586 R HN 0.561 nan 8.270 nan 0.000 0.455 587 V N 5.978 125.889 119.914 -0.005 0.000 2.333 587 V HA 0.247 4.367 4.120 -0.000 0.000 0.274 587 V C 0.394 176.475 176.094 -0.021 0.000 1.028 587 V CA -0.689 61.596 62.300 -0.023 0.000 0.851 587 V CB 1.163 32.962 31.823 -0.040 0.000 1.000 587 V HN 0.660 nan 8.190 nan 0.000 0.456 588 L N 5.502 126.711 121.223 -0.023 0.000 2.410 588 L HA 0.330 4.670 4.340 -0.000 0.000 0.273 588 L C 0.614 177.474 176.870 -0.017 0.000 1.152 588 L CA 0.291 55.124 54.840 -0.012 0.000 0.855 588 L CB 0.513 42.569 42.059 -0.004 0.000 1.129 588 L HN 0.623 nan 8.230 nan 0.000 0.463 589 K N 4.475 124.871 120.400 -0.007 0.000 2.895 589 K HA 0.181 4.501 4.320 -0.000 0.000 0.191 589 K C -0.703 175.897 176.600 -0.000 0.000 1.117 589 K CA -0.452 55.831 56.287 -0.007 0.000 0.988 589 K CB 0.865 33.358 32.500 -0.012 0.000 1.181 589 K HN 0.570 nan 8.250 nan 0.000 0.598 590 E N -0.395 119.809 120.200 0.006 0.000 3.931 590 E HA -0.207 4.143 4.350 -0.000 0.000 0.221 590 E C -2.549 174.056 176.600 0.007 0.000 1.488 590 E CA 0.544 56.949 56.400 0.008 0.000 2.372 590 E CB -1.545 28.157 29.700 0.005 0.000 2.116 590 E HN 0.319 nan 8.360 nan 0.000 0.464 591 P HA 0.075 nan 4.420 nan 0.000 0.263 591 P C 0.096 177.399 177.300 0.004 0.000 1.195 591 P CA 0.239 63.342 63.100 0.006 0.000 0.762 591 P CB 0.143 31.846 31.700 0.004 0.000 0.799 592 I N 0.000 120.573 120.570 0.005 0.000 2.984 592 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 592 I CA 0.000 61.302 61.300 0.004 0.000 1.566 592 I CB 0.000 38.003 38.000 0.005 0.000 1.214 592 I HN 0.000 nan 8.210 nan 0.000 0.494