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 3ouy_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKVEEILEKA LELVIPDEEE VRKGREAEEE LRRRLDELGV EYVFVGSYAR DATA SEQUENCE NTWLKGSLEI DVFLLFPEEF SKEELRERGL EIGKAVLDSY EIRYAEHPYV DATA SEQUENCE HGVVKGVEVD VVPCYKLKEP KNIKSAVDRT PFHHKWLEGR IKGKENEVRL DATA SEQUENCE LKGFLKANGI YGAEYKVRGF SGYLCELLIV FYGSFLETVK NARRWTRRTV DATA SEQUENCE IDVAKGEVRK GEEFFVVDPV DEKRNVAANL SLDNLARFVH LCREFMEAPS DATA SEQUENCE LGFFKPKHPL EIEPERLRKI VEERGTAVFA VKFRKPDIVD DNLYPQLERA DATA SEQUENCE SRKIFEFLER ENFMPLRSAF KASEEFCYLL FECQIKEISR VFRRMGPQFE DATA SEQUENCE DERNVKKFLS RNRAFRPFIE NGRWWAFEMR KFTTPEEGVR SYASTHWHTL DATA SEQUENCE GKNVGESIRE YFEIISGEKL FKEPVTAELC EMMGVKDCCC M 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.279 176.300 -0.035 0.000 1.140 1 M CA 0.000 55.287 55.300 -0.021 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.010 0.000 1.302 2 K N 0.826 121.207 120.400 -0.031 0.000 2.319 2 K HA 0.165 4.485 4.320 0.001 0.000 0.265 2 K C 0.935 177.515 176.600 -0.034 0.000 1.000 2 K CA 0.015 56.280 56.287 -0.037 0.000 0.943 2 K CB 1.072 33.555 32.500 -0.028 0.000 0.950 2 K HN 0.485 nan 8.250 nan 0.000 0.485 3 V N 2.326 122.213 119.914 -0.044 0.000 2.469 3 V HA -0.257 3.863 4.120 0.001 0.000 0.251 3 V C 0.948 177.062 176.094 0.033 0.000 1.064 3 V CA 2.014 64.303 62.300 -0.019 0.000 1.066 3 V CB -0.306 31.496 31.823 -0.034 0.000 0.667 3 V HN 0.762 nan 8.190 nan 0.000 0.461 4 E N -0.416 119.789 120.200 0.009 0.000 2.427 4 E HA -0.105 4.246 4.350 0.001 0.000 0.196 4 E C 2.047 178.641 176.600 -0.010 0.000 1.028 4 E CA 0.854 57.258 56.400 0.006 0.000 0.864 4 E CB -0.028 29.669 29.700 -0.004 0.000 0.813 4 E HN 0.753 nan 8.360 nan 0.000 0.514 5 E N 0.472 120.665 120.200 -0.011 0.000 2.127 5 E HA -0.046 4.304 4.350 0.001 0.000 0.191 5 E C 1.827 178.413 176.600 -0.023 0.000 0.964 5 E CA 0.288 56.676 56.400 -0.020 0.000 0.832 5 E CB 0.115 29.804 29.700 -0.017 0.000 0.790 5 E HN 0.207 nan 8.360 nan 0.000 0.465 6 I N 1.525 122.094 120.570 -0.001 0.000 2.208 6 I HA -0.317 3.853 4.170 0.001 0.000 0.245 6 I C 2.410 178.484 176.117 -0.071 0.000 1.097 6 I CA 1.050 62.359 61.300 0.016 0.000 1.363 6 I CB -0.182 37.882 38.000 0.106 0.000 1.051 6 I HN 0.180 nan 8.210 nan 0.000 0.413 7 L N -0.219 120.961 121.223 -0.072 0.000 2.056 7 L HA -0.176 4.165 4.340 0.001 0.000 0.207 7 L C 2.658 179.403 176.870 -0.207 0.000 1.078 7 L CA 1.157 55.879 54.840 -0.197 0.000 0.749 7 L CB -0.716 41.287 42.059 -0.092 0.000 0.901 7 L HN 0.248 nan 8.230 nan 0.000 0.433 8 E N 0.732 120.859 120.200 -0.122 0.000 2.085 8 E HA -0.220 4.130 4.350 0.001 0.000 0.194 8 E C 2.148 178.674 176.600 -0.123 0.000 0.994 8 E CA 1.261 57.595 56.400 -0.110 0.000 0.801 8 E CB -0.033 29.625 29.700 -0.070 0.000 0.743 8 E HN 0.474 nan 8.360 nan 0.000 0.453 9 K N 0.084 120.415 120.400 -0.115 0.000 2.097 9 K HA -0.029 4.291 4.320 0.001 0.000 0.205 9 K C 2.078 178.573 176.600 -0.174 0.000 1.050 9 K CA 0.936 57.158 56.287 -0.108 0.000 0.938 9 K CB -0.062 32.399 32.500 -0.064 0.000 0.718 9 K HN 0.012 nan 8.250 nan 0.000 0.442 10 A N 1.408 124.046 122.820 -0.304 0.000 2.067 10 A HA -0.065 4.256 4.320 0.001 0.000 0.219 10 A C 2.055 179.394 177.584 -0.409 0.000 1.158 10 A CA 0.912 52.635 52.037 -0.523 0.000 0.661 10 A CB -0.488 17.777 19.000 -1.225 0.000 0.801 10 A HN 0.141 nan 8.150 nan 0.000 0.452 11 L N -1.068 119.975 121.223 -0.300 0.000 2.141 11 L HA -0.162 4.178 4.340 0.001 0.000 0.209 11 L C 2.394 179.168 176.870 -0.161 0.000 1.094 11 L CA 1.326 56.033 54.840 -0.223 0.000 0.763 11 L CB -0.433 41.521 42.059 -0.175 0.000 0.908 11 L HN 0.299 nan 8.230 nan 0.000 0.437 12 E N -0.148 119.973 120.200 -0.132 0.000 2.204 12 E HA -0.172 4.179 4.350 0.001 0.000 0.195 12 E C 1.900 178.458 176.600 -0.071 0.000 0.990 12 E CA 0.771 57.119 56.400 -0.087 0.000 0.821 12 E CB 0.009 29.671 29.700 -0.064 0.000 0.750 12 E HN 0.187 nan 8.360 nan 0.000 0.477 13 L N -0.478 120.693 121.223 -0.086 0.000 2.478 13 L HA -0.024 4.316 4.340 0.001 0.000 0.223 13 L C 1.935 178.776 176.870 -0.050 0.000 1.140 13 L CA 1.019 55.831 54.840 -0.046 0.000 0.842 13 L CB -0.567 41.480 42.059 -0.020 0.000 0.953 13 L HN 0.199 nan 8.230 nan 0.000 0.452 14 V N -5.400 114.456 119.914 -0.096 0.000 3.250 14 V HA 0.295 4.415 4.120 0.001 0.000 0.240 14 V C 1.024 177.031 176.094 -0.145 0.000 1.275 14 V CA -0.415 61.821 62.300 -0.106 0.000 1.206 14 V CB 0.227 31.977 31.823 -0.122 0.000 0.976 14 V HN -0.077 nan 8.190 nan 0.000 0.467 15 I N 3.910 124.389 120.570 -0.153 0.000 2.587 15 I HA 0.328 4.499 4.170 0.001 0.000 0.284 15 I C -2.288 173.735 176.117 -0.156 0.000 1.134 15 I CA -1.979 59.212 61.300 -0.182 0.000 1.410 15 I CB 0.129 38.039 38.000 -0.149 0.000 1.392 15 I HN 0.230 nan 8.210 nan 0.000 0.545 16 P HA 0.094 nan 4.420 nan 0.000 0.271 16 P C -0.862 176.411 177.300 -0.044 0.000 1.216 16 P CA -0.349 62.691 63.100 -0.101 0.000 0.771 16 P CB 0.367 31.984 31.700 -0.138 0.000 0.864 17 D N 2.277 122.687 120.400 0.016 0.000 2.411 17 D HA 0.041 4.682 4.640 0.001 0.000 0.251 17 D C 0.953 177.290 176.300 0.062 0.000 1.201 17 D CA -0.322 53.691 54.000 0.023 0.000 0.996 17 D CB 0.585 41.399 40.800 0.025 0.000 1.101 17 D HN 0.195 nan 8.370 nan 0.000 0.504 18 E N 0.098 120.330 120.200 0.052 0.000 2.038 18 E HA -0.252 4.099 4.350 0.001 0.000 0.195 18 E C 1.658 178.313 176.600 0.091 0.000 1.000 18 E CA 1.624 58.065 56.400 0.068 0.000 0.803 18 E CB -0.423 29.305 29.700 0.046 0.000 0.750 18 E HN 0.751 nan 8.360 nan 0.000 0.448 19 E N 1.234 121.482 120.200 0.079 0.000 2.147 19 E HA -0.244 4.107 4.350 0.001 0.000 0.199 19 E C 1.935 178.600 176.600 0.108 0.000 1.005 19 E CA 1.932 58.380 56.400 0.080 0.000 0.810 19 E CB -0.121 29.618 29.700 0.064 0.000 0.736 19 E HN 0.360 nan 8.360 nan 0.000 0.460 20 E N -0.925 119.362 120.200 0.145 0.000 2.230 20 E HA -0.054 4.296 4.350 0.001 0.000 0.192 20 E C 1.810 178.584 176.600 0.290 0.000 0.987 20 E CA 0.761 57.283 56.400 0.204 0.000 0.841 20 E CB 0.249 30.098 29.700 0.248 0.000 0.783 20 E HN 0.234 nan 8.360 nan 0.000 0.481 21 V N 0.930 121.025 119.914 0.302 0.000 2.379 21 V HA -0.142 3.979 4.120 0.001 0.000 0.245 21 V C 2.438 178.677 176.094 0.242 0.000 1.044 21 V CA 1.497 64.018 62.300 0.369 0.000 1.036 21 V CB -0.426 31.569 31.823 0.288 0.000 0.664 21 V HN 0.220 nan 8.190 nan 0.000 0.453 22 R N 0.015 120.612 120.500 0.161 0.000 2.066 22 R HA -0.137 4.203 4.340 0.001 0.000 0.232 22 R C 2.484 178.842 176.300 0.097 0.000 1.131 22 R CA 1.464 57.632 56.100 0.113 0.000 0.955 22 R CB -0.253 30.096 30.300 0.081 0.000 0.851 22 R HN 0.450 nan 8.270 nan 0.000 0.432 23 K N -0.582 119.872 120.400 0.090 0.000 2.044 23 K HA -0.149 4.172 4.320 0.001 0.000 0.210 23 K C 2.093 178.709 176.600 0.028 0.000 1.049 23 K CA 1.580 57.898 56.287 0.053 0.000 0.927 23 K CB -0.406 32.124 32.500 0.050 0.000 0.713 23 K HN 0.296 nan 8.250 nan 0.000 0.443 24 G N 1.427 110.256 108.800 0.049 0.000 2.446 24 G HA2 -0.272 3.688 3.960 0.001 0.000 0.217 24 G HA3 -0.272 3.688 3.960 0.001 0.000 0.217 24 G C 1.479 176.427 174.900 0.079 0.000 1.168 24 G CA 0.539 45.630 45.100 -0.015 0.000 0.771 24 G HN 0.164 nan 8.290 nan 0.000 0.551 25 R N 1.094 121.696 120.500 0.171 0.000 2.096 25 R HA -0.074 4.266 4.340 0.001 0.000 0.235 25 R C 2.474 178.821 176.300 0.077 0.000 1.127 25 R CA 1.574 57.769 56.100 0.157 0.000 0.968 25 R CB -0.508 29.867 30.300 0.125 0.000 0.861 25 R HN 0.765 nan 8.270 nan 0.000 0.440 26 E N -0.154 120.075 120.200 0.048 0.000 2.442 26 E HA 0.108 4.459 4.350 0.001 0.000 0.195 26 E C 1.644 178.247 176.600 0.004 0.000 1.030 26 E CA 0.570 56.984 56.400 0.024 0.000 0.869 26 E CB 0.069 29.782 29.700 0.023 0.000 0.857 26 E HN 0.162 nan 8.360 nan 0.000 0.505 27 A N 2.286 125.095 122.820 -0.018 0.000 1.897 27 A HA -0.196 4.124 4.320 0.001 0.000 0.215 27 A C 2.174 179.743 177.584 -0.024 0.000 1.181 27 A CA 1.369 53.377 52.037 -0.048 0.000 0.620 27 A CB -0.424 18.510 19.000 -0.110 0.000 0.821 27 A HN 0.323 nan 8.150 nan 0.000 0.443 28 E N -0.243 119.949 120.200 -0.014 0.000 2.058 28 E HA -0.238 4.113 4.350 0.001 0.000 0.194 28 E C 1.852 178.476 176.600 0.040 0.000 0.997 28 E CA 1.351 57.785 56.400 0.056 0.000 0.801 28 E CB -0.133 29.608 29.700 0.069 0.000 0.746 28 E HN 0.516 nan 8.360 nan 0.000 0.450 29 E N 0.558 120.767 120.200 0.014 0.000 2.058 29 E HA -0.231 4.120 4.350 0.001 0.000 0.194 29 E C 2.009 178.619 176.600 0.017 0.000 0.997 29 E CA 1.281 57.687 56.400 0.010 0.000 0.801 29 E CB -0.290 29.416 29.700 0.010 0.000 0.746 29 E HN 0.253 nan 8.360 nan 0.000 0.450 30 E N 0.818 121.025 120.200 0.011 0.000 2.058 30 E HA -0.168 4.182 4.350 0.001 0.000 0.194 30 E C 2.048 178.646 176.600 -0.004 0.000 0.997 30 E CA 0.602 57.003 56.400 0.001 0.000 0.801 30 E CB -0.409 29.287 29.700 -0.007 0.000 0.746 30 E HN 0.065 nan 8.360 nan 0.000 0.450 31 L N 0.788 122.019 121.223 0.013 0.000 1.990 31 L HA -0.190 4.151 4.340 0.001 0.000 0.213 31 L C 2.418 179.269 176.870 -0.032 0.000 1.072 31 L CA 1.979 56.821 54.840 0.003 0.000 0.755 31 L CB -0.705 41.414 42.059 0.101 0.000 0.889 31 L HN 0.112 nan 8.230 nan 0.000 0.432 32 R N -1.111 119.423 120.500 0.056 0.000 2.115 32 R HA -0.228 4.112 4.340 0.001 0.000 0.239 32 R C 2.297 178.599 176.300 0.002 0.000 1.133 32 R CA 2.047 58.172 56.100 0.041 0.000 0.935 32 R CB -0.472 29.884 30.300 0.094 0.000 0.853 32 R HN 0.312 nan 8.270 nan 0.000 0.433 33 R N 0.176 120.681 120.500 0.009 0.000 2.096 33 R HA -0.166 4.175 4.340 0.001 0.000 0.240 33 R C 2.441 178.733 176.300 -0.013 0.000 1.139 33 R CA 1.905 58.010 56.100 0.007 0.000 0.952 33 R CB -0.261 30.042 30.300 0.006 0.000 0.854 33 R HN 0.250 nan 8.270 nan 0.000 0.436 34 R N 0.250 120.726 120.500 -0.040 0.000 2.066 34 R HA -0.081 4.259 4.340 0.001 0.000 0.232 34 R C 2.304 178.555 176.300 -0.082 0.000 1.131 34 R CA 1.283 57.350 56.100 -0.054 0.000 0.955 34 R CB -0.390 29.873 30.300 -0.062 0.000 0.851 34 R HN 0.192 nan 8.270 nan 0.000 0.432 35 L N 0.708 121.827 121.223 -0.172 0.000 2.291 35 L HA -0.129 4.212 4.340 0.001 0.000 0.214 35 L C 1.542 178.397 176.870 -0.026 0.000 1.120 35 L CA 0.812 55.513 54.840 -0.232 0.000 0.799 35 L CB -0.284 41.327 42.059 -0.748 0.000 0.925 35 L HN 0.111 nan 8.230 nan 0.000 0.446 36 D N 0.026 120.449 120.400 0.038 0.000 2.103 36 D HA -0.204 4.436 4.640 0.001 0.000 0.199 36 D C 1.977 178.313 176.300 0.060 0.000 0.978 36 D CA 0.975 55.045 54.000 0.115 0.000 0.829 36 D CB -0.052 40.814 40.800 0.110 0.000 0.981 36 D HN 0.317 nan 8.370 nan 0.000 0.464 37 E N 0.136 120.353 120.200 0.028 0.000 2.171 37 E HA -0.160 4.190 4.350 0.001 0.000 0.197 37 E C 1.885 178.496 176.600 0.019 0.000 0.997 37 E CA 0.642 57.053 56.400 0.019 0.000 0.810 37 E CB -0.013 29.690 29.700 0.006 0.000 0.738 37 E HN 0.241 nan 8.360 nan 0.000 0.467 38 L N -0.961 120.272 121.223 0.016 0.000 2.529 38 L HA 0.157 4.497 4.340 0.001 0.000 0.223 38 L C 1.178 178.067 176.870 0.031 0.000 1.113 38 L CA 0.305 55.155 54.840 0.018 0.000 0.861 38 L CB 0.283 42.344 42.059 0.004 0.000 1.012 38 L HN 0.296 nan 8.230 nan 0.000 0.461 39 G N 1.481 110.310 108.800 0.048 0.000 2.314 39 G HA2 -0.218 3.742 3.960 0.001 0.000 0.292 39 G HA3 -0.218 3.742 3.960 0.001 0.000 0.292 39 G C 0.002 174.925 174.900 0.039 0.000 1.059 39 G CA 0.348 45.477 45.100 0.048 0.000 0.982 39 G HN 0.239 nan 8.290 nan 0.000 0.505 40 V N -3.545 116.407 119.914 0.064 0.000 2.815 40 V HA 0.760 4.881 4.120 0.001 0.000 0.314 40 V C 0.403 176.524 176.094 0.046 0.000 1.064 40 V CA -1.673 60.636 62.300 0.015 0.000 0.952 40 V CB 2.036 33.847 31.823 -0.020 0.000 1.020 40 V HN 0.294 nan 8.190 nan 0.000 0.439 41 E N 2.415 122.557 120.200 -0.096 0.000 2.299 41 E HA 0.420 4.770 4.350 0.001 0.000 0.272 41 E C -1.256 175.298 176.600 -0.077 0.000 1.043 41 E CA 0.071 56.386 56.400 -0.141 0.000 0.895 41 E CB 0.634 30.213 29.700 -0.202 0.000 1.011 41 E HN 0.782 nan 8.360 nan 0.000 0.432 42 Y N 0.227 120.470 120.300 -0.096 0.000 2.644 42 Y HA 0.778 5.329 4.550 0.001 0.000 0.338 42 Y C -1.307 174.594 175.900 0.002 0.000 1.119 42 Y CA -1.240 56.817 58.100 -0.072 0.000 1.060 42 Y CB 1.261 39.678 38.460 -0.071 0.000 1.294 42 Y HN 0.216 nan 8.280 nan 0.000 0.472 43 V N 1.597 121.606 119.914 0.159 0.000 3.077 43 V HA 0.541 4.662 4.120 0.001 0.000 0.299 43 V C -2.017 174.195 176.094 0.197 0.000 1.276 43 V CA -1.059 61.323 62.300 0.137 0.000 0.993 43 V CB 2.107 33.908 31.823 -0.037 0.000 1.076 43 V HN 0.673 nan 8.190 nan 0.000 0.434 44 F N 5.447 125.403 119.950 0.010 0.000 2.410 44 F HA 0.750 5.278 4.527 0.001 0.000 0.349 44 F C 0.521 176.166 175.800 -0.258 0.000 1.117 44 F CA -0.127 57.868 58.000 -0.009 0.000 1.104 44 F CB 1.651 40.698 39.000 0.078 0.000 1.122 44 F HN 0.514 nan 8.300 nan 0.000 0.483 45 V N 0.005 119.855 119.914 -0.106 0.000 3.204 45 V HA 1.049 5.169 4.120 0.001 0.000 0.308 45 V C 0.430 176.538 176.094 0.024 0.000 1.324 45 V CA -0.620 61.519 62.300 -0.268 0.000 1.042 45 V CB 0.744 32.311 31.823 -0.428 0.000 1.167 45 V HN 1.236 nan 8.190 nan 0.000 0.478 46 G N 0.654 109.512 108.800 0.098 0.000 2.697 46 G HA2 -0.157 3.803 3.960 0.001 0.000 0.240 46 G HA3 -0.157 3.803 3.960 0.001 0.000 0.240 46 G C 0.850 175.921 174.900 0.285 0.000 1.346 46 G CA 1.013 46.219 45.100 0.178 0.000 0.887 46 G HN 2.383 nan 8.290 nan 0.000 0.569 47 S N -1.599 114.283 115.700 0.303 0.000 2.428 47 S HA -0.084 4.387 4.470 0.001 0.000 0.230 47 S C 1.991 176.870 174.600 0.466 0.000 1.014 47 S CA 2.002 60.426 58.200 0.375 0.000 0.957 47 S CB -0.295 63.149 63.200 0.407 0.000 0.784 47 S HN 1.311 nan 8.310 nan 0.000 0.499 48 Y N 2.720 123.172 120.300 0.254 0.000 2.163 48 Y HA 0.173 4.724 4.550 0.001 0.000 0.288 48 Y C 2.418 178.465 175.900 0.245 0.000 1.136 48 Y CA 0.956 59.129 58.100 0.121 0.000 1.147 48 Y CB -0.793 37.581 38.460 -0.143 0.000 0.987 48 Y HN 0.334 nan 8.280 nan 0.000 0.509 49 A N -0.065 122.895 122.820 0.235 0.000 2.235 49 A HA 0.109 4.430 4.320 0.001 0.000 0.208 49 A C 1.869 179.603 177.584 0.251 0.000 1.172 49 A CA 0.478 52.617 52.037 0.171 0.000 0.786 49 A CB -0.355 18.791 19.000 0.243 0.000 0.804 49 A HN 0.537 nan 8.150 nan 0.000 0.479 50 R N -1.454 119.195 120.500 0.248 0.000 2.509 50 R HA 0.142 4.482 4.340 0.001 0.000 0.297 50 R C -0.189 176.200 176.300 0.147 0.000 0.951 50 R CA -0.105 56.109 56.100 0.191 0.000 1.103 50 R CB 0.333 30.748 30.300 0.191 0.000 1.283 50 R HN 0.366 nan 8.270 nan 0.000 0.534 51 N N 1.511 120.337 118.700 0.210 0.000 2.783 51 N HA -0.115 4.625 4.740 0.001 0.000 0.247 51 N C -0.228 175.314 175.510 0.054 0.000 1.089 51 N CA 1.507 54.661 53.050 0.173 0.000 0.690 51 N CB -0.876 37.631 38.487 0.033 0.000 0.991 51 N HN 0.447 nan 8.380 nan 0.000 0.552 52 T N -3.975 110.697 114.554 0.196 0.000 3.231 52 T HA 0.241 4.592 4.350 0.001 0.000 0.292 52 T C 0.443 175.246 174.700 0.173 0.000 1.001 52 T CA -0.551 61.616 62.100 0.112 0.000 0.920 52 T CB -0.457 68.504 68.868 0.155 0.000 1.140 52 T HN 0.387 nan 8.240 nan 0.000 0.525 53 W N 1.353 122.721 121.300 0.114 0.000 2.215 53 W HA 0.739 5.400 4.660 0.001 0.000 0.342 53 W C -0.843 175.730 176.519 0.091 0.000 1.237 53 W CA -1.666 55.760 57.345 0.134 0.000 1.283 53 W CB 0.350 29.922 29.460 0.186 0.000 1.131 53 W HN -0.076 nan 8.180 nan 0.000 0.606 54 L N 3.815 125.137 121.223 0.165 0.000 2.350 54 L HA 0.238 4.579 4.340 0.001 0.000 0.275 54 L C 0.781 177.687 176.870 0.059 0.000 1.099 54 L CA -0.829 54.018 54.840 0.012 0.000 0.808 54 L CB 0.834 42.928 42.059 0.058 0.000 1.149 54 L HN 0.603 nan 8.230 nan 0.000 0.442 55 K N 2.865 123.241 120.400 -0.041 0.000 2.473 55 K HA 0.154 4.474 4.320 0.001 0.000 0.277 55 K C 0.878 177.552 176.600 0.125 0.000 1.052 55 K CA 1.164 57.474 56.287 0.038 0.000 1.114 55 K CB -0.234 32.261 32.500 -0.007 0.000 0.869 55 K HN 0.876 nan 8.250 nan 0.000 0.481 56 G N 2.263 111.179 108.800 0.193 0.000 2.232 56 G HA2 -0.267 3.693 3.960 0.001 0.000 0.226 56 G HA3 -0.267 3.693 3.960 0.001 0.000 0.226 56 G C 0.018 175.035 174.900 0.195 0.000 0.996 56 G CA 0.262 45.463 45.100 0.168 0.000 0.626 56 G HN 0.925 nan 8.290 nan 0.000 0.509 57 S N -0.083 115.778 115.700 0.269 0.000 2.128 57 S HA 0.637 5.107 4.470 0.001 0.000 0.157 57 S C -0.260 174.517 174.600 0.295 0.000 1.650 57 S CA -0.108 58.243 58.200 0.251 0.000 1.269 57 S CB 0.889 64.226 63.200 0.228 0.000 1.227 57 S HN 1.510 nan 8.310 nan 0.000 0.405 58 L N 1.746 123.083 121.223 0.191 0.000 2.313 58 L HA 0.636 4.976 4.340 0.001 0.000 0.282 58 L C -0.155 176.648 176.870 -0.111 0.000 1.092 58 L CA 0.618 55.384 54.840 -0.123 0.000 0.831 58 L CB 0.684 42.639 42.059 -0.174 0.000 1.159 58 L HN 0.670 nan 8.230 nan 0.000 0.442 59 E N 5.359 125.476 120.200 -0.140 0.000 2.278 59 E HA 0.395 4.746 4.350 0.001 0.000 0.272 59 E C -1.459 175.072 176.600 -0.115 0.000 0.890 59 E CA -0.660 55.702 56.400 -0.063 0.000 0.770 59 E CB 1.529 31.274 29.700 0.076 0.000 1.212 59 E HN 0.706 nan 8.360 nan 0.000 0.415 60 I N 3.443 123.906 120.570 -0.178 0.000 2.353 60 I HA 0.239 4.410 4.170 0.001 0.000 0.293 60 I C -0.336 175.752 176.117 -0.048 0.000 0.992 60 I CA -0.597 60.593 61.300 -0.185 0.000 1.268 60 I CB 1.176 38.967 38.000 -0.350 0.000 1.387 60 I HN 0.305 nan 8.210 nan 0.000 0.478 61 D N 6.695 127.113 120.400 0.029 0.000 2.280 61 D HA 0.337 4.977 4.640 0.001 0.000 0.236 61 D C -0.616 175.641 176.300 -0.073 0.000 1.082 61 D CA -0.177 53.854 54.000 0.051 0.000 0.834 61 D CB 2.616 43.499 40.800 0.139 0.000 1.100 61 D HN 0.072 nan 8.370 nan 0.000 0.486 62 V N 3.157 122.982 119.914 -0.147 0.000 2.459 62 V HA 0.373 4.493 4.120 0.001 0.000 0.295 62 V C -0.454 175.660 176.094 0.034 0.000 1.029 62 V CA -0.743 61.359 62.300 -0.330 0.000 0.874 62 V CB 1.234 32.735 31.823 -0.538 0.000 0.985 62 V HN 0.332 nan 8.190 nan 0.000 0.438 63 F N 4.441 124.278 119.950 -0.189 0.000 2.469 63 F HA 0.659 5.187 4.527 0.001 0.000 0.332 63 F C -0.045 175.707 175.800 -0.079 0.000 1.103 63 F CA -0.939 56.997 58.000 -0.106 0.000 0.979 63 F CB 1.798 40.737 39.000 -0.103 0.000 1.137 63 F HN 0.243 nan 8.300 nan 0.000 0.463 64 L N 5.154 126.337 121.223 -0.066 0.000 2.282 64 L HA 0.461 4.801 4.340 0.001 0.000 0.288 64 L C -0.785 175.968 176.870 -0.196 0.000 1.033 64 L CA -0.541 54.206 54.840 -0.154 0.000 0.807 64 L CB 1.057 43.014 42.059 -0.170 0.000 1.209 64 L HN 0.382 nan 8.230 nan 0.000 0.423 65 L N 4.046 125.090 121.223 -0.299 0.000 2.264 65 L HA 0.457 4.798 4.340 0.001 0.000 0.287 65 L C -0.635 175.992 176.870 -0.405 0.000 1.039 65 L CA -0.085 54.622 54.840 -0.222 0.000 0.829 65 L CB 0.264 42.235 42.059 -0.147 0.000 1.211 65 L HN 0.397 nan 8.230 nan 0.000 0.427 66 F N 3.212 123.072 119.950 -0.150 0.000 2.483 66 F HA 0.527 5.054 4.527 0.001 0.000 0.329 66 F C -1.891 173.765 175.800 -0.240 0.000 1.064 66 F CA -2.592 55.227 58.000 -0.301 0.000 0.986 66 F CB 0.958 39.726 39.000 -0.387 0.000 1.218 66 F HN 0.260 nan 8.300 nan 0.000 0.484 67 P HA -0.005 nan 4.420 nan 0.000 0.264 67 P C 0.643 178.000 177.300 0.094 0.000 1.193 67 P CA 0.268 63.294 63.100 -0.123 0.000 0.763 67 P CB 0.565 32.127 31.700 -0.230 0.000 0.810 68 E N 2.183 122.446 120.200 0.106 0.000 2.171 68 E HA -0.262 4.088 4.350 0.001 0.000 0.197 68 E C 0.778 177.340 176.600 -0.063 0.000 0.997 68 E CA 1.599 58.006 56.400 0.011 0.000 0.810 68 E CB 0.174 29.859 29.700 -0.025 0.000 0.738 68 E HN 0.509 nan 8.360 nan 0.000 0.467 69 E N -0.488 119.765 120.200 0.088 0.000 2.358 69 E HA -0.042 4.309 4.350 0.001 0.000 0.195 69 E C 0.159 176.922 176.600 0.273 0.000 1.010 69 E CA -0.008 56.469 56.400 0.127 0.000 0.856 69 E CB -0.108 29.676 29.700 0.139 0.000 0.795 69 E HN 0.065 nan 8.360 nan 0.000 0.504 70 F N 2.031 122.059 119.950 0.130 0.000 2.629 70 F HA -0.054 4.473 4.527 0.001 0.000 0.369 70 F C 1.298 177.189 175.800 0.153 0.000 1.125 70 F CA -0.764 57.331 58.000 0.160 0.000 1.330 70 F CB 0.109 39.242 39.000 0.221 0.000 1.071 70 F HN -0.154 nan 8.300 nan 0.000 0.595 71 S N 3.641 119.430 115.700 0.147 0.000 2.585 71 S HA 0.126 4.596 4.470 0.001 0.000 0.273 71 S C 1.248 175.934 174.600 0.145 0.000 1.339 71 S CA -0.826 57.431 58.200 0.094 0.000 1.028 71 S CB 1.069 64.262 63.200 -0.011 0.000 0.906 71 S HN 0.645 nan 8.310 nan 0.000 0.528 72 K N 0.450 120.933 120.400 0.138 0.000 2.160 72 K HA -0.145 4.175 4.320 0.001 0.000 0.206 72 K C 1.803 178.396 176.600 -0.013 0.000 1.047 72 K CA 1.371 57.721 56.287 0.105 0.000 0.930 72 K CB -0.245 32.306 32.500 0.086 0.000 0.720 72 K HN 0.711 nan 8.250 nan 0.000 0.450 73 E N 0.730 120.911 120.200 -0.030 0.000 2.158 73 E HA -0.123 4.227 4.350 0.001 0.000 0.191 73 E C 1.663 178.187 176.600 -0.127 0.000 0.982 73 E CA 0.920 57.276 56.400 -0.072 0.000 0.823 73 E CB 0.225 29.889 29.700 -0.060 0.000 0.766 73 E HN 0.341 nan 8.360 nan 0.000 0.468 74 E N 0.220 120.328 120.200 -0.154 0.000 2.072 74 E HA -0.074 4.277 4.350 0.001 0.000 0.190 74 E C 2.076 178.516 176.600 -0.267 0.000 0.982 74 E CA 0.134 56.371 56.400 -0.271 0.000 0.803 74 E CB 0.013 29.410 29.700 -0.503 0.000 0.755 74 E HN 0.122 nan 8.360 nan 0.000 0.453 75 L N 1.237 122.338 121.223 -0.202 0.000 2.079 75 L HA -0.222 4.118 4.340 0.001 0.000 0.210 75 L C 2.411 179.016 176.870 -0.441 0.000 1.081 75 L CA 1.691 56.281 54.840 -0.417 0.000 0.752 75 L CB -0.433 41.402 42.059 -0.373 0.000 0.896 75 L HN 0.143 nan 8.230 nan 0.000 0.433 76 R N -0.150 120.171 120.500 -0.299 0.000 2.055 76 R HA -0.152 4.188 4.340 0.001 0.000 0.228 76 R C 2.099 178.276 176.300 -0.206 0.000 1.143 76 R CA 1.403 57.347 56.100 -0.260 0.000 0.945 76 R CB -0.109 30.083 30.300 -0.181 0.000 0.841 76 R HN 0.396 nan 8.270 nan 0.000 0.429 77 E N -0.160 119.936 120.200 -0.172 0.000 2.058 77 E HA -0.210 4.140 4.350 0.001 0.000 0.194 77 E C 2.249 178.775 176.600 -0.122 0.000 0.997 77 E CA 1.177 57.499 56.400 -0.130 0.000 0.801 77 E CB 0.026 29.655 29.700 -0.118 0.000 0.746 77 E HN 0.264 nan 8.360 nan 0.000 0.450 78 R N -0.141 120.262 120.500 -0.162 0.000 2.062 78 R HA -0.047 4.293 4.340 0.001 0.000 0.229 78 R C 2.505 178.810 176.300 0.009 0.000 1.128 78 R CA 1.077 57.139 56.100 -0.063 0.000 0.960 78 R CB -0.916 29.348 30.300 -0.060 0.000 0.855 78 R HN 0.232 nan 8.270 nan 0.000 0.432 79 G N 1.782 110.510 108.800 -0.120 0.000 2.513 79 G HA2 -0.255 3.705 3.960 0.001 0.000 0.219 79 G HA3 -0.255 3.705 3.960 0.001 0.000 0.219 79 G C 1.344 176.213 174.900 -0.051 0.000 1.160 79 G CA 0.711 45.804 45.100 -0.013 0.000 0.767 79 G HN 0.100 nan 8.290 nan 0.000 0.571 80 L N 0.367 121.526 121.223 -0.108 0.000 2.072 80 L HA 0.110 4.450 4.340 0.001 0.000 0.205 80 L C 2.607 179.394 176.870 -0.138 0.000 1.079 80 L CA 1.344 56.105 54.840 -0.132 0.000 0.752 80 L CB -0.957 41.027 42.059 -0.125 0.000 0.906 80 L HN 0.319 nan 8.230 nan 0.000 0.436 81 E N -0.164 119.982 120.200 -0.090 0.000 2.049 81 E HA -0.254 4.096 4.350 0.001 0.000 0.198 81 E C 2.271 178.829 176.600 -0.070 0.000 1.007 81 E CA 1.658 58.015 56.400 -0.073 0.000 0.809 81 E CB -0.132 29.552 29.700 -0.026 0.000 0.749 81 E HN 0.433 nan 8.360 nan 0.000 0.450 82 I N 0.018 120.573 120.570 -0.026 0.000 2.286 82 I HA -0.143 4.027 4.170 0.001 0.000 0.245 82 I C 2.487 178.559 176.117 -0.075 0.000 1.104 82 I CA 0.995 62.281 61.300 -0.023 0.000 1.397 82 I CB -0.413 37.605 38.000 0.031 0.000 1.072 82 I HN 0.167 nan 8.210 nan 0.000 0.417 83 G N 0.905 109.648 108.800 -0.096 0.000 2.433 83 G HA2 -0.231 3.730 3.960 0.001 0.000 0.216 83 G HA3 -0.231 3.730 3.960 0.001 0.000 0.216 83 G C 1.693 176.482 174.900 -0.185 0.000 1.186 83 G CA 0.563 45.590 45.100 -0.121 0.000 0.779 83 G HN 0.269 nan 8.290 nan 0.000 0.543 84 K N 0.590 120.793 120.400 -0.327 0.000 2.160 84 K HA -0.080 4.240 4.320 0.001 0.000 0.206 84 K C 2.723 179.203 176.600 -0.200 0.000 1.047 84 K CA 1.083 57.060 56.287 -0.516 0.000 0.930 84 K CB -0.193 31.907 32.500 -0.668 0.000 0.720 84 K HN 0.308 nan 8.250 nan 0.000 0.450 85 A N 0.282 123.028 122.820 -0.124 0.000 2.119 85 A HA -0.005 4.316 4.320 0.001 0.000 0.216 85 A C 2.015 179.576 177.584 -0.040 0.000 1.152 85 A CA 0.788 52.791 52.037 -0.057 0.000 0.708 85 A CB 0.228 19.202 19.000 -0.044 0.000 0.805 85 A HN 0.091 nan 8.150 nan 0.000 0.460 86 V N -0.430 119.450 119.914 -0.056 0.000 3.212 86 V HA 0.220 4.340 4.120 0.001 0.000 0.244 86 V C 0.704 176.776 176.094 -0.037 0.000 1.151 86 V CA 0.191 62.457 62.300 -0.057 0.000 1.119 86 V CB 0.011 31.779 31.823 -0.093 0.000 0.838 86 V HN 0.416 nan 8.190 nan 0.000 0.470 87 L N 0.500 121.713 121.223 -0.016 0.000 2.395 87 L HA 0.284 4.624 4.340 0.001 0.000 0.269 87 L C 1.213 178.117 176.870 0.056 0.000 1.133 87 L CA -0.294 54.556 54.840 0.016 0.000 0.812 87 L CB 0.447 42.532 42.059 0.044 0.000 1.125 87 L HN 0.122 nan 8.230 nan 0.000 0.452 88 D N 0.205 120.619 120.400 0.023 0.000 2.183 88 D HA -0.041 4.599 4.640 0.001 0.000 0.203 88 D C 0.440 176.752 176.300 0.020 0.000 0.969 88 D CA 0.922 54.931 54.000 0.016 0.000 0.842 88 D CB 0.337 41.130 40.800 -0.012 0.000 0.957 88 D HN 0.611 nan 8.370 nan 0.000 0.484 89 S N -1.215 114.499 115.700 0.024 0.000 2.552 89 S HA 0.556 5.026 4.470 0.001 0.000 0.272 89 S C -1.029 173.576 174.600 0.009 0.000 1.150 89 S CA -1.074 57.094 58.200 -0.054 0.000 0.849 89 S CB 1.530 64.668 63.200 -0.103 0.000 1.113 89 S HN 0.201 nan 8.310 nan 0.000 0.458 90 Y N -0.855 119.419 120.300 -0.043 0.000 2.896 90 Y HA 0.902 5.452 4.550 0.001 0.000 0.317 90 Y C -0.903 174.990 175.900 -0.011 0.000 1.444 90 Y CA -0.957 57.121 58.100 -0.038 0.000 1.084 90 Y CB 0.975 39.417 38.460 -0.030 0.000 1.382 90 Y HN 0.990 nan 8.280 nan 0.000 0.471 91 E N 0.647 121.032 120.200 0.309 0.000 2.748 91 E HA 0.414 4.765 4.350 0.001 0.000 0.320 91 E C -2.339 174.367 176.600 0.176 0.000 0.996 91 E CA -0.432 56.075 56.400 0.178 0.000 0.835 91 E CB 1.664 31.440 29.700 0.127 0.000 1.265 91 E HN 0.754 nan 8.360 nan 0.000 0.420 92 I N 4.573 125.213 120.570 0.116 0.000 2.437 92 I HA 0.444 4.614 4.170 0.001 0.000 0.279 92 I C -0.577 175.520 176.117 -0.034 0.000 1.028 92 I CA -0.589 60.738 61.300 0.045 0.000 1.142 92 I CB 0.947 38.995 38.000 0.082 0.000 1.266 92 I HN 0.165 nan 8.210 nan 0.000 0.461 93 R N 6.628 127.081 120.500 -0.079 0.000 2.500 93 R HA 0.477 4.817 4.340 0.001 0.000 0.299 93 R C -1.534 174.708 176.300 -0.096 0.000 1.038 93 R CA -0.704 55.324 56.100 -0.121 0.000 0.903 93 R CB 2.090 32.364 30.300 -0.044 0.000 1.177 93 R HN 0.579 nan 8.270 nan 0.000 0.455 94 Y N -1.541 118.678 120.300 -0.135 0.000 2.644 94 Y HA 0.726 5.276 4.550 0.001 0.000 0.338 94 Y C 0.133 176.059 175.900 0.043 0.000 1.119 94 Y CA -1.069 57.004 58.100 -0.044 0.000 1.060 94 Y CB 1.105 39.492 38.460 -0.122 0.000 1.294 94 Y HN 0.328 nan 8.280 nan 0.000 0.472 95 A N -0.338 122.673 122.820 0.318 0.000 1.973 95 A HA 0.176 4.497 4.320 0.001 0.000 0.210 95 A C 1.480 179.216 177.584 0.255 0.000 1.200 95 A CA 1.300 53.457 52.037 0.201 0.000 0.707 95 A CB -0.027 19.090 19.000 0.196 0.000 0.862 95 A HN 0.813 nan 8.150 nan 0.000 0.461 96 E N -1.630 118.802 120.200 0.386 0.000 3.566 96 E HA 0.016 4.366 4.350 0.001 0.000 0.241 96 E C -0.401 176.380 176.600 0.301 0.000 1.208 96 E CA -0.267 56.324 56.400 0.318 0.000 1.773 96 E CB -0.142 29.687 29.700 0.216 0.000 1.818 96 E HN 0.494 nan 8.360 nan 0.000 0.865 97 H N 4.052 123.212 119.070 0.150 0.000 2.742 97 H HA 0.270 4.827 4.556 0.001 0.000 0.302 97 H C -2.188 172.926 175.328 -0.355 0.000 1.069 97 H CA -1.508 54.522 56.048 -0.031 0.000 1.446 97 H CB 1.125 30.887 29.762 0.001 0.000 1.462 97 H HN 0.055 nan 8.280 nan 0.000 0.499 98 P HA 0.104 nan 4.420 nan 0.000 0.275 98 P C -1.396 175.524 177.300 -0.633 0.000 1.227 98 P CA 0.194 62.367 63.100 -1.545 0.000 0.781 98 P CB 0.775 31.912 31.700 -0.939 0.000 0.906 99 Y N 0.004 119.961 120.300 -0.572 0.000 2.741 99 Y HA 0.562 5.112 4.550 0.001 0.000 0.339 99 Y C -1.959 173.898 175.900 -0.072 0.000 1.226 99 Y CA -1.495 56.469 58.100 -0.227 0.000 1.072 99 Y CB 0.633 39.022 38.460 -0.117 0.000 1.331 99 Y HN 0.311 nan 8.280 nan 0.000 0.453 100 V N 1.502 121.455 119.914 0.065 0.000 2.540 100 V HA 0.620 4.741 4.120 0.001 0.000 0.302 100 V C -1.494 174.732 176.094 0.220 0.000 1.035 100 V CA -0.277 62.041 62.300 0.029 0.000 0.873 100 V CB 1.320 33.110 31.823 -0.055 0.000 0.992 100 V HN 1.083 nan 8.190 nan 0.000 0.428 101 H N 4.191 123.325 119.070 0.106 0.000 2.472 101 H HA 0.910 5.466 4.556 0.001 0.000 0.335 101 H C 0.247 175.650 175.328 0.126 0.000 1.136 101 H CA 0.699 56.842 56.048 0.157 0.000 1.264 101 H CB 1.812 31.673 29.762 0.166 0.000 1.486 101 H HN 1.180 nan 8.280 nan 0.000 0.517 102 G N 1.308 109.856 108.800 -0.420 0.000 2.494 102 G HA2 0.444 4.405 3.960 0.001 0.000 0.308 102 G HA3 0.444 4.405 3.960 0.001 0.000 0.308 102 G C -1.857 172.846 174.900 -0.328 0.000 1.263 102 G CA -0.195 44.740 45.100 -0.275 0.000 0.840 102 G HN 0.636 nan 8.290 nan 0.000 0.479 103 V N -0.333 119.487 119.914 -0.157 0.000 2.686 103 V HA 0.689 4.810 4.120 0.001 0.000 0.306 103 V C -0.813 175.236 176.094 -0.076 0.000 1.065 103 V CA -0.618 61.609 62.300 -0.121 0.000 0.894 103 V CB 1.800 33.567 31.823 -0.093 0.000 1.004 103 V HN 0.672 nan 8.190 nan 0.000 0.424 104 V N 4.500 124.368 119.914 -0.076 0.000 2.525 104 V HA 0.471 4.591 4.120 0.001 0.000 0.299 104 V C 0.128 176.191 176.094 -0.052 0.000 1.034 104 V CA -1.028 61.238 62.300 -0.057 0.000 0.863 104 V CB 1.637 33.423 31.823 -0.061 0.000 0.999 104 V HN 0.941 nan 8.190 nan 0.000 0.423 105 K N 4.123 124.502 120.400 -0.035 0.000 3.278 105 K HA -0.243 4.078 4.320 0.001 0.000 0.270 105 K C 1.089 177.673 176.600 -0.028 0.000 0.955 105 K CA 0.782 57.054 56.287 -0.026 0.000 0.723 105 K CB -1.215 31.273 32.500 -0.021 0.000 1.382 105 K HN 1.569 nan 8.250 nan 0.000 0.461 106 G N -1.354 107.428 108.800 -0.029 0.000 2.168 106 G HA2 -0.303 3.657 3.960 0.001 0.000 0.263 106 G HA3 -0.303 3.657 3.960 0.001 0.000 0.263 106 G C 0.028 174.908 174.900 -0.032 0.000 0.977 106 G CA 0.300 45.386 45.100 -0.023 0.000 0.659 106 G HN 1.000 nan 8.290 nan 0.000 0.533 107 V N -1.917 117.963 119.914 -0.057 0.000 2.823 107 V HA 0.823 4.944 4.120 0.001 0.000 0.312 107 V C -0.114 175.920 176.094 -0.101 0.000 1.072 107 V CA -1.238 61.015 62.300 -0.078 0.000 0.937 107 V CB 2.003 33.756 31.823 -0.117 0.000 1.013 107 V HN 0.218 nan 8.190 nan 0.000 0.430 108 E N 3.446 123.597 120.200 -0.082 0.000 2.338 108 E HA 0.490 4.840 4.350 0.001 0.000 0.272 108 E C -0.869 175.688 176.600 -0.071 0.000 1.029 108 E CA -0.171 56.182 56.400 -0.078 0.000 0.872 108 E CB 1.860 31.608 29.700 0.080 0.000 1.015 108 E HN 0.663 nan 8.360 nan 0.000 0.417 109 V N 2.533 122.385 119.914 -0.103 0.000 2.638 109 V HA 0.216 4.337 4.120 0.001 0.000 0.306 109 V C -0.546 175.612 176.094 0.106 0.000 1.052 109 V CA -1.080 61.196 62.300 -0.041 0.000 0.885 109 V CB 2.272 34.036 31.823 -0.097 0.000 0.999 109 V HN 0.507 nan 8.190 nan 0.000 0.424 110 D N 2.427 122.912 120.400 0.142 0.000 2.193 110 D HA 0.438 5.079 4.640 0.001 0.000 0.244 110 D C -0.517 175.813 176.300 0.050 0.000 1.064 110 D CA -0.049 54.063 54.000 0.187 0.000 0.845 110 D CB 2.408 43.274 40.800 0.111 0.000 1.148 110 D HN 0.449 nan 8.370 nan 0.000 0.464 111 V N 2.975 122.918 119.914 0.049 0.000 2.334 111 V HA 0.445 4.566 4.120 0.001 0.000 0.281 111 V C -1.090 174.956 176.094 -0.080 0.000 1.016 111 V CA -0.351 61.915 62.300 -0.056 0.000 0.832 111 V CB 1.194 32.964 31.823 -0.088 0.000 0.999 111 V HN 0.232 nan 8.190 nan 0.000 0.439 112 V N 9.615 129.352 119.914 -0.295 0.000 2.378 112 V HA 0.528 4.649 4.120 0.001 0.000 0.288 112 V C -2.292 173.499 176.094 -0.505 0.000 1.016 112 V CA -1.662 60.361 62.300 -0.461 0.000 0.840 112 V CB 2.025 33.245 31.823 -1.004 0.000 0.994 112 V HN 0.829 nan 8.190 nan 0.000 0.431 113 P HA 0.363 nan 4.420 nan 0.000 0.280 113 P C -0.546 176.722 177.300 -0.053 0.000 1.244 113 P CA -0.028 63.064 63.100 -0.012 0.000 0.784 113 P CB 1.301 33.006 31.700 0.008 0.000 0.913 114 C N 2.493 121.784 119.300 -0.015 0.000 3.318 114 C HA 0.619 5.079 4.460 0.001 0.000 0.329 114 C C -0.899 174.064 174.990 -0.045 0.000 1.449 114 C CA -1.127 57.871 59.018 -0.033 0.000 1.397 114 C CB 0.506 28.303 27.740 0.094 0.000 1.810 114 C HN 0.477 nan 8.230 nan 0.000 0.449 115 Y N 0.946 121.348 120.300 0.171 0.000 2.326 115 Y HA 0.439 4.989 4.550 0.001 0.000 0.337 115 Y C 0.818 176.777 175.900 0.098 0.000 1.023 115 Y CA -0.169 58.010 58.100 0.132 0.000 1.143 115 Y CB 0.917 39.446 38.460 0.116 0.000 1.183 115 Y HN 0.684 nan 8.280 nan 0.000 0.485 116 K N 5.410 125.933 120.400 0.205 0.000 2.336 116 K HA 0.251 4.572 4.320 0.001 0.000 0.290 116 K C -1.247 175.438 176.600 0.141 0.000 1.067 116 K CA 0.056 56.406 56.287 0.105 0.000 0.962 116 K CB -0.165 32.346 32.500 0.017 0.000 1.008 116 K HN 0.649 nan 8.250 nan 0.000 0.467 117 L N 4.349 125.689 121.223 0.196 0.000 2.334 117 L HA 0.360 4.700 4.340 0.001 0.000 0.270 117 L C 0.859 177.895 176.870 0.276 0.000 1.018 117 L CA -1.056 53.923 54.840 0.232 0.000 0.811 117 L CB 1.514 43.744 42.059 0.285 0.000 1.271 117 L HN 0.540 nan 8.230 nan 0.000 0.443 118 K N -0.561 119.960 120.400 0.202 0.000 2.186 118 K HA 0.180 4.500 4.320 0.001 0.000 0.202 118 K C 0.065 176.819 176.600 0.256 0.000 1.052 118 K CA 0.791 57.199 56.287 0.203 0.000 0.965 118 K CB 0.126 32.690 32.500 0.106 0.000 0.746 118 K HN 0.427 nan 8.250 nan 0.000 0.457 119 E N 0.133 120.407 120.200 0.123 0.000 2.367 119 E HA 0.213 4.563 4.350 0.001 0.000 0.273 119 E C -2.532 173.862 176.600 -0.343 0.000 0.903 119 E CA -2.278 54.034 56.400 -0.147 0.000 0.764 119 E CB 2.353 31.994 29.700 -0.098 0.000 1.252 119 E HN -0.138 nan 8.360 nan 0.000 0.446 120 P HA 0.153 nan 4.420 nan 0.000 0.236 120 P C -0.507 176.640 177.300 -0.255 0.000 1.749 120 P CA -0.242 62.545 63.100 -0.522 0.000 0.994 120 P CB 0.097 31.310 31.700 -0.812 0.000 1.599 121 K N 1.010 121.304 120.400 -0.176 0.000 2.107 121 K HA 0.174 4.494 4.320 0.001 0.000 0.251 121 K C 0.875 177.439 176.600 -0.061 0.000 1.012 121 K CA -0.484 55.745 56.287 -0.096 0.000 0.920 121 K CB -0.125 32.332 32.500 -0.072 0.000 1.033 121 K HN 0.057 nan 8.250 nan 0.000 0.478 122 N N 0.626 119.304 118.700 -0.037 0.000 2.689 122 N HA -0.256 4.485 4.740 0.001 0.000 0.263 122 N C -0.332 175.171 175.510 -0.011 0.000 0.987 122 N CA 0.432 53.470 53.050 -0.020 0.000 0.782 122 N CB -1.382 37.093 38.487 -0.020 0.000 0.903 122 N HN 0.442 nan 8.380 nan 0.000 0.547 123 I N 0.693 121.262 120.570 -0.001 0.000 2.845 123 I HA -0.166 4.004 4.170 0.001 0.000 0.296 123 I C 1.824 177.970 176.117 0.049 0.000 1.216 123 I CA 1.005 62.325 61.300 0.034 0.000 1.438 123 I CB 0.579 38.596 38.000 0.028 0.000 1.342 123 I HN 0.220 nan 8.210 nan 0.000 0.577 124 K N 3.260 123.711 120.400 0.084 0.000 2.168 124 K HA 0.066 4.386 4.320 0.001 0.000 0.201 124 K C 0.738 177.466 176.600 0.214 0.000 1.049 124 K CA 0.568 56.890 56.287 0.057 0.000 0.974 124 K CB 0.323 32.694 32.500 -0.216 0.000 0.792 124 K HN 0.783 nan 8.250 nan 0.000 0.463 125 S N -1.346 114.569 115.700 0.358 0.000 2.681 125 S HA 0.474 4.944 4.470 0.001 0.000 0.299 125 S C 0.551 175.244 174.600 0.155 0.000 1.113 125 S CA -0.415 57.977 58.200 0.321 0.000 1.013 125 S CB 1.855 65.286 63.200 0.386 0.000 1.076 125 S HN 0.162 nan 8.310 nan 0.000 0.534 126 A N 0.622 123.498 122.820 0.093 0.000 2.238 126 A HA 0.244 4.565 4.320 0.001 0.000 0.208 126 A C 1.518 179.047 177.584 -0.091 0.000 1.177 126 A CA 0.704 52.747 52.037 0.010 0.000 0.804 126 A CB -0.911 18.111 19.000 0.037 0.000 0.823 126 A HN 1.529 nan 8.150 nan 0.000 0.482 127 V N -4.199 115.594 119.914 -0.202 0.000 3.621 127 V HA 0.120 4.240 4.120 0.001 0.000 0.285 127 V C 0.875 176.985 176.094 0.026 0.000 1.346 127 V CA 0.686 62.895 62.300 -0.150 0.000 1.104 127 V CB -0.203 31.419 31.823 -0.336 0.000 0.913 127 V HN 0.186 nan 8.190 nan 0.000 0.432 128 D N 1.930 122.360 120.400 0.051 0.000 2.265 128 D HA -0.115 4.526 4.640 0.001 0.000 0.208 128 D C 2.251 178.622 176.300 0.118 0.000 0.977 128 D CA 1.283 55.365 54.000 0.136 0.000 0.871 128 D CB -0.086 40.819 40.800 0.176 0.000 0.925 128 D HN 0.530 nan 8.370 nan 0.000 0.485 129 R N -0.124 120.340 120.500 -0.060 0.000 2.153 129 R HA 0.008 4.348 4.340 0.001 0.000 0.218 129 R C 2.106 178.109 176.300 -0.495 0.000 1.072 129 R CA 0.849 56.795 56.100 -0.257 0.000 0.990 129 R CB -0.326 29.666 30.300 -0.513 0.000 0.889 129 R HN 0.111 nan 8.270 nan 0.000 0.452 130 T N 1.779 116.081 114.554 -0.420 0.000 2.624 130 T HA -0.129 4.222 4.350 0.001 0.000 0.268 130 T C -0.996 173.489 174.700 -0.359 0.000 1.041 130 T CA 1.518 63.352 62.100 -0.443 0.000 1.159 130 T CB -1.079 67.497 68.868 -0.487 0.000 0.863 130 T HN 0.205 nan 8.240 nan 0.000 0.434 131 P HA -0.003 nan 4.420 nan 0.000 0.218 131 P C 1.018 178.204 177.300 -0.191 0.000 1.149 131 P CA 0.954 63.876 63.100 -0.296 0.000 0.817 131 P CB -0.243 31.246 31.700 -0.353 0.000 0.785 132 F N -1.707 118.199 119.950 -0.073 0.000 2.206 132 F HA -0.113 4.414 4.527 0.001 0.000 0.298 132 F C 2.503 178.380 175.800 0.128 0.000 1.090 132 F CA 1.273 59.284 58.000 0.018 0.000 1.323 132 F CB -1.118 37.861 39.000 -0.034 0.000 1.028 132 F HN 0.099 nan 8.300 nan 0.000 0.492 133 H N -2.105 117.063 119.070 0.163 0.000 2.319 133 H HA -0.248 4.309 4.556 0.001 0.000 0.299 133 H C 2.097 177.556 175.328 0.218 0.000 1.092 133 H CA 1.631 57.724 56.048 0.076 0.000 1.302 133 H CB -0.261 29.270 29.762 -0.386 0.000 1.373 133 H HN 0.236 nan 8.280 nan 0.000 0.497 134 H N 0.969 120.146 119.070 0.178 0.000 2.352 134 H HA -0.097 4.459 4.556 0.001 0.000 0.299 134 H C 2.336 177.763 175.328 0.165 0.000 1.097 134 H CA 1.648 57.779 56.048 0.137 0.000 1.311 134 H CB 0.152 29.926 29.762 0.020 0.000 1.377 134 H HN 0.065 nan 8.280 nan 0.000 0.504 135 K N -0.679 119.855 120.400 0.224 0.000 2.057 135 K HA -0.194 4.126 4.320 0.001 0.000 0.207 135 K C 2.144 178.845 176.600 0.167 0.000 1.049 135 K CA 1.472 57.856 56.287 0.162 0.000 0.931 135 K CB -0.454 32.142 32.500 0.161 0.000 0.714 135 K HN 0.401 nan 8.250 nan 0.000 0.440 136 W N 0.935 122.304 121.300 0.114 0.000 2.358 136 W HA -0.211 4.449 4.660 0.001 0.000 0.303 136 W C 1.667 178.227 176.519 0.068 0.000 1.208 136 W CA 0.829 58.243 57.345 0.116 0.000 1.274 136 W CB -0.076 29.497 29.460 0.187 0.000 1.138 136 W HN 0.039 nan 8.180 nan 0.000 0.515 137 L N 0.610 122.022 121.223 0.315 0.000 2.131 137 L HA -0.073 4.267 4.340 0.001 0.000 0.206 137 L C 2.210 179.036 176.870 -0.075 0.000 1.087 137 L CA 1.746 56.677 54.840 0.152 0.000 0.767 137 L CB -1.551 40.663 42.059 0.259 0.000 0.917 137 L HN 0.066 nan 8.230 nan 0.000 0.441 138 E N -0.530 119.556 120.200 -0.190 0.000 2.246 138 E HA -0.302 4.048 4.350 0.001 0.000 0.232 138 E C 1.449 177.973 176.600 -0.128 0.000 1.087 138 E CA 1.664 57.928 56.400 -0.227 0.000 0.964 138 E CB -0.408 29.174 29.700 -0.197 0.000 0.827 138 E HN 0.533 nan 8.360 nan 0.000 0.476 139 G N -1.343 107.375 108.800 -0.138 0.000 3.502 139 G HA2 0.057 4.017 3.960 0.001 0.000 0.267 139 G HA3 0.057 4.017 3.960 0.001 0.000 0.267 139 G C 0.850 175.659 174.900 -0.151 0.000 1.090 139 G CA -0.375 44.651 45.100 -0.123 0.000 0.795 139 G HN 0.055 nan 8.290 nan 0.000 0.535 140 R N -0.738 119.657 120.500 -0.175 0.000 2.316 140 R HA 0.273 4.613 4.340 0.001 0.000 0.201 140 R C 1.357 177.612 176.300 -0.074 0.000 0.888 140 R CA -0.217 55.780 56.100 -0.172 0.000 1.041 140 R CB 0.160 30.269 30.300 -0.318 0.000 1.115 140 R HN 0.276 nan 8.270 nan 0.000 0.559 141 I N 1.449 121.994 120.570 -0.042 0.000 3.603 141 I HA -0.004 4.166 4.170 0.001 0.000 0.297 141 I C 0.087 176.201 176.117 -0.005 0.000 1.269 141 I CA 0.361 61.664 61.300 0.004 0.000 1.361 141 I CB 0.113 38.138 38.000 0.042 0.000 1.063 141 I HN -0.181 nan 8.210 nan 0.000 0.448 142 K N 1.154 121.539 120.400 -0.025 0.000 2.524 142 K HA 0.192 4.513 4.320 0.001 0.000 0.279 142 K C 1.223 177.812 176.600 -0.019 0.000 0.993 142 K CA 0.857 57.131 56.287 -0.022 0.000 1.030 142 K CB -0.543 31.939 32.500 -0.030 0.000 0.891 142 K HN 0.363 nan 8.250 nan 0.000 0.488 143 G N 2.505 111.294 108.800 -0.017 0.000 2.179 143 G HA2 -0.335 3.625 3.960 0.001 0.000 0.260 143 G HA3 -0.335 3.625 3.960 0.001 0.000 0.260 143 G C 0.679 175.573 174.900 -0.009 0.000 0.977 143 G CA 0.608 45.698 45.100 -0.017 0.000 0.641 143 G HN 0.596 nan 8.290 nan 0.000 0.533 144 K N 0.089 120.488 120.400 -0.000 0.000 2.440 144 K HA 0.116 4.436 4.320 0.001 0.000 0.207 144 K C 1.997 178.606 176.600 0.016 0.000 1.112 144 K CA 0.361 56.657 56.287 0.016 0.000 1.036 144 K CB 0.295 32.816 32.500 0.035 0.000 0.935 144 K HN 0.450 nan 8.250 nan 0.000 0.564 145 E N 1.320 121.521 120.200 0.001 0.000 2.187 145 E HA -0.244 4.106 4.350 0.001 0.000 0.199 145 E C 0.938 177.517 176.600 -0.035 0.000 1.004 145 E CA 1.350 57.745 56.400 -0.008 0.000 0.813 145 E CB -0.311 29.374 29.700 -0.024 0.000 0.736 145 E HN 0.171 nan 8.360 nan 0.000 0.468 146 N N 0.959 119.630 118.700 -0.049 0.000 2.300 146 N HA -0.081 4.660 4.740 0.001 0.000 0.179 146 N C 1.645 177.126 175.510 -0.048 0.000 1.016 146 N CA 0.879 53.885 53.050 -0.073 0.000 0.876 146 N CB -0.106 38.329 38.487 -0.086 0.000 0.979 146 N HN 0.233 nan 8.380 nan 0.000 0.432 147 E N 0.708 120.908 120.200 -0.000 0.000 2.118 147 E HA -0.094 4.257 4.350 0.001 0.000 0.195 147 E C 2.070 178.720 176.600 0.083 0.000 0.992 147 E CA 0.538 56.971 56.400 0.056 0.000 0.804 147 E CB -0.361 29.396 29.700 0.095 0.000 0.741 147 E HN 0.133 nan 8.360 nan 0.000 0.458 148 V N 1.499 121.454 119.914 0.068 0.000 2.255 148 V HA -0.297 3.823 4.120 0.001 0.000 0.247 148 V C 2.456 178.573 176.094 0.039 0.000 1.051 148 V CA 2.152 64.503 62.300 0.084 0.000 1.018 148 V CB -0.545 31.330 31.823 0.086 0.000 0.641 148 V HN 0.187 nan 8.190 nan 0.000 0.445 149 R N -0.363 120.123 120.500 -0.023 0.000 2.083 149 R HA -0.136 4.205 4.340 0.001 0.000 0.237 149 R C 2.337 178.582 176.300 -0.092 0.000 1.137 149 R CA 1.590 57.645 56.100 -0.075 0.000 0.951 149 R CB -0.617 29.608 30.300 -0.125 0.000 0.851 149 R HN 0.400 nan 8.270 nan 0.000 0.434 150 L N 0.360 121.495 121.223 -0.146 0.000 2.010 150 L HA -0.275 4.066 4.340 0.001 0.000 0.219 150 L C 2.421 179.183 176.870 -0.179 0.000 1.077 150 L CA 1.169 55.836 54.840 -0.289 0.000 0.773 150 L CB -0.526 41.203 42.059 -0.551 0.000 0.892 150 L HN 0.225 nan 8.230 nan 0.000 0.436 151 L N -0.329 120.923 121.223 0.047 0.000 2.141 151 L HA -0.187 4.153 4.340 0.001 0.000 0.209 151 L C 2.431 179.376 176.870 0.126 0.000 1.094 151 L CA 1.768 56.778 54.840 0.283 0.000 0.763 151 L CB -0.485 41.765 42.059 0.319 0.000 0.908 151 L HN 0.113 nan 8.230 nan 0.000 0.437 152 K N -1.191 119.188 120.400 -0.035 0.000 2.103 152 K HA 0.013 4.333 4.320 0.001 0.000 0.204 152 K C 1.954 178.372 176.600 -0.303 0.000 1.052 152 K CA 0.985 57.076 56.287 -0.326 0.000 0.945 152 K CB -0.489 31.756 32.500 -0.426 0.000 0.722 152 K HN 0.476 nan 8.250 nan 0.000 0.443 153 G N 0.590 109.336 108.800 -0.089 0.000 2.421 153 G HA2 -0.229 3.732 3.960 0.001 0.000 0.217 153 G HA3 -0.229 3.732 3.960 0.001 0.000 0.217 153 G C 1.274 176.228 174.900 0.089 0.000 1.143 153 G CA 0.098 45.207 45.100 0.015 0.000 0.784 153 G HN 0.193 nan 8.290 nan 0.000 0.541 154 F N 1.050 120.955 119.950 -0.075 0.000 2.146 154 F HA 0.132 4.660 4.527 0.000 0.000 0.298 154 F C 2.322 178.042 175.800 -0.133 0.000 1.096 154 F CA 1.032 58.867 58.000 -0.276 0.000 1.275 154 F CB -0.099 38.765 39.000 -0.227 0.000 1.008 154 F HN 0.036 nan 8.300 nan 0.000 0.480 155 L N -0.014 121.185 121.223 -0.039 0.000 2.109 155 L HA -0.140 4.200 4.340 0.001 0.000 0.207 155 L C 2.417 179.262 176.870 -0.042 0.000 1.086 155 L CA 1.387 56.168 54.840 -0.099 0.000 0.760 155 L CB -0.674 41.357 42.059 -0.047 0.000 0.910 155 L HN 0.045 nan 8.230 nan 0.000 0.437 156 K N 0.935 121.310 120.400 -0.041 0.000 2.063 156 K HA -0.177 4.143 4.320 0.001 0.000 0.208 156 K C 1.925 178.519 176.600 -0.010 0.000 1.048 156 K CA 1.654 57.955 56.287 0.023 0.000 0.928 156 K CB -0.208 32.266 32.500 -0.044 0.000 0.713 156 K HN 0.235 nan 8.250 nan 0.000 0.442 157 A N 0.187 122.959 122.820 -0.079 0.000 2.167 157 A HA 0.004 4.324 4.320 0.001 0.000 0.214 157 A C 1.077 178.568 177.584 -0.155 0.000 1.151 157 A CA 1.045 53.021 52.037 -0.102 0.000 0.735 157 A CB -0.214 18.723 19.000 -0.106 0.000 0.802 157 A HN 0.446 nan 8.150 nan 0.000 0.467 158 N N -0.730 117.863 118.700 -0.179 0.000 2.235 158 N HA 0.192 4.932 4.740 0.001 0.000 0.231 158 N C 0.739 176.207 175.510 -0.070 0.000 1.177 158 N CA 0.549 53.497 53.050 -0.170 0.000 0.874 158 N CB 0.706 39.033 38.487 -0.266 0.000 1.097 158 N HN 0.489 nan 8.380 nan 0.000 0.518 159 G N 2.337 111.121 108.800 -0.027 0.000 2.225 159 G HA2 -0.256 3.704 3.960 0.001 0.000 0.267 159 G HA3 -0.256 3.704 3.960 0.001 0.000 0.267 159 G C 0.530 175.462 174.900 0.054 0.000 1.024 159 G CA 0.640 45.752 45.100 0.020 0.000 0.784 159 G HN 0.577 nan 8.290 nan 0.000 0.507 160 I N -3.883 116.741 120.570 0.090 0.000 3.833 160 I HA 0.515 4.686 4.170 0.001 0.000 0.328 160 I C 0.226 176.499 176.117 0.260 0.000 1.554 160 I CA -1.105 60.291 61.300 0.161 0.000 1.116 160 I CB 0.325 38.450 38.000 0.208 0.000 1.182 160 I HN 0.018 nan 8.210 nan 0.000 0.459 161 Y N 2.997 123.341 120.300 0.073 0.000 2.350 161 Y HA 0.685 5.236 4.550 0.001 0.000 0.340 161 Y C 0.446 176.394 175.900 0.080 0.000 1.006 161 Y CA 0.014 58.169 58.100 0.092 0.000 1.166 161 Y CB 0.770 39.268 38.460 0.063 0.000 1.168 161 Y HN 0.399 nan 8.280 nan 0.000 0.502 162 G N 3.433 111.960 108.800 -0.456 0.000 2.931 162 G HA2 0.282 4.243 3.960 0.001 0.000 0.675 162 G HA3 0.282 4.243 3.960 0.001 0.000 0.675 162 G C -0.276 174.500 174.900 -0.206 0.000 1.339 162 G CA -0.345 44.540 45.100 -0.359 0.000 0.866 162 G HN 1.123 nan 8.290 nan 0.000 0.616 163 A N 1.451 124.146 122.820 -0.208 0.000 2.238 163 A HA 0.434 4.754 4.320 0.001 0.000 0.210 163 A C 1.305 178.746 177.584 -0.240 0.000 1.179 163 A CA 1.379 53.296 52.037 -0.200 0.000 0.827 163 A CB -0.224 18.668 19.000 -0.181 0.000 0.856 163 A HN 1.186 nan 8.150 nan 0.000 0.488 164 E N -0.478 119.603 120.200 -0.199 0.000 2.442 164 E HA -0.083 4.267 4.350 0.001 0.000 0.260 164 E C -0.026 176.460 176.600 -0.189 0.000 1.148 164 E CA 0.004 56.287 56.400 -0.195 0.000 0.976 164 E CB 0.121 29.764 29.700 -0.096 0.000 0.967 164 E HN 0.502 nan 8.360 nan 0.000 0.454 165 Y N 0.310 120.590 120.300 -0.032 0.000 2.293 165 Y HA -0.108 4.442 4.550 0.001 0.000 0.291 165 Y C 2.637 178.471 175.900 -0.109 0.000 1.137 165 Y CA 1.308 59.399 58.100 -0.016 0.000 1.202 165 Y CB -0.011 38.490 38.460 0.069 0.000 0.990 165 Y HN 0.503 nan 8.280 nan 0.000 0.537 166 K N -0.098 120.206 120.400 -0.161 0.000 2.360 166 K HA -0.143 4.178 4.320 0.001 0.000 0.201 166 K C 0.997 177.473 176.600 -0.207 0.000 1.046 166 K CA 1.304 57.283 56.287 -0.513 0.000 0.940 166 K CB 0.096 32.253 32.500 -0.571 0.000 0.748 166 K HN 0.219 nan 8.250 nan 0.000 0.465 167 V N -1.305 118.554 119.914 -0.091 0.000 3.103 167 V HA 0.081 4.202 4.120 0.001 0.000 0.229 167 V C 0.143 176.224 176.094 -0.020 0.000 1.304 167 V CA -0.286 61.985 62.300 -0.048 0.000 1.298 167 V CB -0.002 31.791 31.823 -0.050 0.000 1.093 167 V HN 0.214 nan 8.190 nan 0.000 0.489 168 R N 0.927 121.400 120.500 -0.045 0.000 3.264 168 R HA -0.167 4.174 4.340 0.001 0.000 0.251 168 R C 0.562 176.806 176.300 -0.092 0.000 0.971 168 R CA 0.422 56.484 56.100 -0.063 0.000 0.658 168 R CB -1.766 28.544 30.300 0.016 0.000 1.095 168 R HN 0.686 nan 8.270 nan 0.000 0.443 169 G N -0.207 108.533 108.800 -0.100 0.000 3.341 169 G HA2 0.643 4.604 3.960 0.001 0.000 0.177 169 G HA3 0.643 4.604 3.960 0.001 0.000 0.177 169 G C -0.876 173.914 174.900 -0.183 0.000 1.236 169 G CA -0.589 44.485 45.100 -0.043 0.000 0.888 169 G HN 0.063 nan 8.290 nan 0.000 0.644 170 F N 1.353 121.246 119.950 -0.096 0.000 2.467 170 F HA 0.490 5.017 4.527 0.000 0.000 0.336 170 F C 0.913 176.622 175.800 -0.152 0.000 1.123 170 F CA -0.844 57.110 58.000 -0.076 0.000 0.964 170 F CB 2.099 41.087 39.000 -0.020 0.000 1.136 170 F HN 0.382 nan 8.300 nan 0.000 0.447 171 S N 0.965 116.677 115.700 0.019 0.000 2.608 171 S HA 0.344 4.814 4.470 0.001 0.000 0.261 171 S C 1.341 176.012 174.600 0.118 0.000 1.314 171 S CA -0.285 57.881 58.200 -0.055 0.000 0.992 171 S CB 1.056 64.262 63.200 0.011 0.000 0.935 171 S HN 0.847 nan 8.310 nan 0.000 0.564 172 G N -0.349 108.544 108.800 0.155 0.000 2.402 172 G HA2 -0.185 3.775 3.960 0.001 0.000 0.216 172 G HA3 -0.185 3.775 3.960 0.001 0.000 0.216 172 G C 1.134 176.214 174.900 0.300 0.000 1.162 172 G CA 0.657 45.991 45.100 0.389 0.000 0.777 172 G HN 0.756 nan 8.290 nan 0.000 0.539 173 Y N 1.032 121.391 120.300 0.098 0.000 2.128 173 Y HA -0.068 4.482 4.550 0.001 0.000 0.284 173 Y C 2.463 178.382 175.900 0.032 0.000 1.154 173 Y CA 1.404 59.516 58.100 0.021 0.000 1.149 173 Y CB -0.489 37.901 38.460 -0.116 0.000 0.976 173 Y HN 0.132 nan 8.280 nan 0.000 0.505 174 L N -1.013 120.193 121.223 -0.028 0.000 2.079 174 L HA -0.323 4.017 4.340 0.001 0.000 0.210 174 L C 2.398 179.295 176.870 0.045 0.000 1.081 174 L CA 1.914 56.713 54.840 -0.068 0.000 0.752 174 L CB -0.687 41.429 42.059 0.094 0.000 0.896 174 L HN 0.438 nan 8.230 nan 0.000 0.433 175 C N -0.078 119.319 119.300 0.162 0.000 2.429 175 C HA -0.147 4.313 4.460 0.001 0.000 0.277 175 C C 2.483 177.561 174.990 0.145 0.000 1.262 175 C CA 0.786 59.921 59.018 0.196 0.000 1.733 175 C CB -0.777 27.110 27.740 0.246 0.000 2.010 175 C HN 0.557 nan 8.230 nan 0.000 0.483 176 E N 0.681 120.937 120.200 0.093 0.000 2.028 176 E HA -0.152 4.198 4.350 0.001 0.000 0.191 176 E C 2.104 178.738 176.600 0.058 0.000 0.988 176 E CA 1.004 57.460 56.400 0.094 0.000 0.799 176 E CB -0.247 29.532 29.700 0.132 0.000 0.755 176 E HN 0.585 nan 8.360 nan 0.000 0.447 177 L N 0.772 121.923 121.223 -0.120 0.000 2.081 177 L HA -0.250 4.091 4.340 0.001 0.000 0.212 177 L C 2.462 179.383 176.870 0.084 0.000 1.080 177 L CA 0.989 55.772 54.840 -0.095 0.000 0.754 177 L CB -0.468 41.368 42.059 -0.371 0.000 0.893 177 L HN 0.211 nan 8.230 nan 0.000 0.433 178 L N -0.820 120.492 121.223 0.150 0.000 2.072 178 L HA -0.197 4.144 4.340 0.001 0.000 0.205 178 L C 2.513 179.620 176.870 0.395 0.000 1.079 178 L CA 0.738 55.779 54.840 0.334 0.000 0.752 178 L CB -0.321 42.001 42.059 0.439 0.000 0.906 178 L HN 0.205 nan 8.230 nan 0.000 0.436 179 I N -0.708 120.032 120.570 0.283 0.000 2.252 179 I HA -0.207 3.963 4.170 0.001 0.000 0.245 179 I C 2.595 178.834 176.117 0.203 0.000 1.102 179 I CA 1.233 62.679 61.300 0.245 0.000 1.385 179 I CB -1.108 37.000 38.000 0.181 0.000 1.064 179 I HN 0.052 nan 8.210 nan 0.000 0.414 180 V N 0.883 120.913 119.914 0.193 0.000 2.332 180 V HA -0.308 3.813 4.120 0.001 0.000 0.248 180 V C 2.429 178.620 176.094 0.161 0.000 1.055 180 V CA 1.884 64.289 62.300 0.174 0.000 1.038 180 V CB -0.837 31.141 31.823 0.258 0.000 0.651 180 V HN 0.216 nan 8.190 nan 0.000 0.450 181 F N -0.167 119.784 119.950 0.002 0.000 2.069 181 F HA -0.206 4.322 4.527 0.001 0.000 0.298 181 F C 2.192 177.847 175.800 -0.241 0.000 1.113 181 F CA 1.941 59.833 58.000 -0.180 0.000 1.214 181 F CB -0.310 38.464 39.000 -0.377 0.000 0.978 181 F HN 0.164 nan 8.300 nan 0.000 0.474 182 Y N -0.919 119.507 120.300 0.210 0.000 2.436 182 Y HA 0.266 4.816 4.550 0.001 0.000 0.288 182 Y C 2.227 178.144 175.900 0.028 0.000 1.112 182 Y CA 0.679 58.837 58.100 0.098 0.000 1.220 182 Y CB -0.311 38.254 38.460 0.174 0.000 1.073 182 Y HN 0.212 nan 8.280 nan 0.000 0.552 183 G N -0.476 108.433 108.800 0.182 0.000 2.284 183 G HA2 -0.223 3.737 3.960 0.001 0.000 0.216 183 G HA3 -0.223 3.737 3.960 0.001 0.000 0.216 183 G C 0.307 175.272 174.900 0.108 0.000 1.009 183 G CA 0.223 45.384 45.100 0.103 0.000 0.625 183 G HN 0.655 nan 8.290 nan 0.000 0.501 184 S N -1.242 114.541 115.700 0.138 0.000 2.625 184 S HA 0.678 5.148 4.470 0.001 0.000 0.271 184 S C 0.415 175.093 174.600 0.129 0.000 1.161 184 S CA 0.223 58.495 58.200 0.120 0.000 0.820 184 S CB 1.363 64.610 63.200 0.078 0.000 1.137 184 S HN 1.196 nan 8.310 nan 0.000 0.470 185 F N 1.102 121.047 119.950 -0.009 0.000 2.075 185 F HA 0.001 4.529 4.527 0.001 0.000 0.297 185 F C 1.909 177.623 175.800 -0.143 0.000 1.113 185 F CA 1.784 59.741 58.000 -0.070 0.000 1.218 185 F CB -0.374 38.569 39.000 -0.096 0.000 0.984 185 F HN 0.566 nan 8.300 nan 0.000 0.472 186 L N 1.105 122.258 121.223 -0.118 0.000 1.997 186 L HA -0.270 4.070 4.340 0.001 0.000 0.216 186 L C 2.336 179.014 176.870 -0.319 0.000 1.074 186 L CA 2.443 57.138 54.840 -0.242 0.000 0.763 186 L CB -1.102 40.948 42.059 -0.014 0.000 0.890 186 L HN 0.303 nan 8.230 nan 0.000 0.434 187 E N -1.270 118.819 120.200 -0.184 0.000 2.077 187 E HA -0.163 4.187 4.350 0.001 0.000 0.193 187 E C 2.022 178.382 176.600 -0.401 0.000 0.989 187 E CA 1.710 58.006 56.400 -0.174 0.000 0.800 187 E CB -0.344 29.362 29.700 0.010 0.000 0.746 187 E HN 0.557 nan 8.360 nan 0.000 0.452 188 T N -0.043 114.278 114.554 -0.389 0.000 2.570 188 T HA -0.212 4.138 4.350 0.001 0.000 0.266 188 T C 1.898 176.158 174.700 -0.734 0.000 1.071 188 T CA 1.939 63.690 62.100 -0.583 0.000 1.172 188 T CB -0.673 68.085 68.868 -0.184 0.000 0.864 188 T HN 0.016 nan 8.240 nan 0.000 0.421 189 V N 1.412 120.844 119.914 -0.803 0.000 2.287 189 V HA -0.228 3.893 4.120 0.001 0.000 0.248 189 V C 2.554 178.257 176.094 -0.651 0.000 1.053 189 V CA 1.763 63.547 62.300 -0.860 0.000 1.027 189 V CB -0.562 30.600 31.823 -1.102 0.000 0.646 189 V HN 0.450 nan 8.190 nan 0.000 0.447 190 K N -0.149 119.948 120.400 -0.505 0.000 2.074 190 K HA -0.210 4.110 4.320 0.001 0.000 0.209 190 K C 2.021 178.401 176.600 -0.367 0.000 1.048 190 K CA 1.788 57.864 56.287 -0.353 0.000 0.926 190 K CB -0.223 32.129 32.500 -0.247 0.000 0.713 190 K HN 0.516 nan 8.250 nan 0.000 0.444 191 N N -0.019 118.392 118.700 -0.481 0.000 2.290 191 N HA -0.048 4.693 4.740 0.001 0.000 0.179 191 N C 1.678 176.838 175.510 -0.584 0.000 1.016 191 N CA 0.792 53.598 53.050 -0.407 0.000 0.871 191 N CB 0.028 38.247 38.487 -0.447 0.000 0.987 191 N HN 0.127 nan 8.380 nan 0.000 0.431 192 A N 2.028 124.231 122.820 -1.029 0.000 2.084 192 A HA -0.152 4.169 4.320 0.001 0.000 0.221 192 A C 2.090 179.146 177.584 -0.880 0.000 1.161 192 A CA 1.048 52.055 52.037 -1.717 0.000 0.653 192 A CB -0.467 17.483 19.000 -1.750 0.000 0.802 192 A HN 0.273 nan 8.150 nan 0.000 0.457 193 R N -1.442 118.730 120.500 -0.546 0.000 2.193 193 R HA -0.067 4.274 4.340 0.001 0.000 0.229 193 R C 1.566 177.788 176.300 -0.130 0.000 1.110 193 R CA 1.331 57.251 56.100 -0.300 0.000 0.988 193 R CB -0.130 30.026 30.300 -0.240 0.000 0.871 193 R HN 0.306 nan 8.270 nan 0.000 0.458 194 R N -1.314 119.136 120.500 -0.083 0.000 2.397 194 R HA 0.074 4.415 4.340 0.001 0.000 0.241 194 R C -0.552 175.913 176.300 0.275 0.000 0.914 194 R CA -0.186 55.964 56.100 0.083 0.000 1.071 194 R CB 0.327 30.681 30.300 0.090 0.000 1.116 194 R HN 0.026 nan 8.270 nan 0.000 0.524 195 W N 1.300 122.677 121.300 0.128 0.000 2.158 195 W HA 0.164 4.824 4.660 0.000 0.000 0.339 195 W C 0.896 177.528 176.519 0.188 0.000 1.294 195 W CA -0.328 57.152 57.345 0.224 0.000 1.231 195 W CB 0.133 29.789 29.460 0.326 0.000 1.143 195 W HN -0.033 nan 8.180 nan 0.000 0.571 196 T N -0.789 114.035 114.554 0.450 0.000 2.887 196 T HA 0.418 4.768 4.350 0.001 0.000 0.292 196 T C 0.902 175.792 174.700 0.316 0.000 1.087 196 T CA -1.071 61.207 62.100 0.296 0.000 1.009 196 T CB 1.680 70.672 68.868 0.207 0.000 1.203 196 T HN 0.529 nan 8.240 nan 0.000 0.518 197 R N 0.202 120.830 120.500 0.213 0.000 2.397 197 R HA 0.027 4.368 4.340 0.001 0.000 0.213 197 R C 0.729 177.149 176.300 0.201 0.000 1.102 197 R CA 0.453 56.670 56.100 0.196 0.000 1.040 197 R CB -0.210 30.160 30.300 0.116 0.000 0.844 197 R HN 0.353 nan 8.270 nan 0.000 0.478 198 R N 0.055 120.665 120.500 0.185 0.000 2.446 198 R HA 0.146 4.486 4.340 0.001 0.000 0.254 198 R C -0.106 176.237 176.300 0.072 0.000 0.918 198 R CA 0.079 56.250 56.100 0.118 0.000 1.069 198 R CB 0.461 30.812 30.300 0.085 0.000 1.194 198 R HN 0.057 nan 8.270 nan 0.000 0.534 199 T N 1.940 116.560 114.554 0.110 0.000 2.908 199 T HA 0.156 4.506 4.350 0.001 0.000 0.301 199 T C 0.140 174.638 174.700 -0.338 0.000 1.019 199 T CA 0.447 62.516 62.100 -0.051 0.000 1.152 199 T CB 1.142 70.034 68.868 0.040 0.000 0.966 199 T HN -0.212 nan 8.240 nan 0.000 0.540 200 V N 5.503 125.241 119.914 -0.294 0.000 2.443 200 V HA 0.427 4.548 4.120 0.001 0.000 0.293 200 V C -0.060 175.814 176.094 -0.366 0.000 1.021 200 V CA -0.757 61.346 62.300 -0.329 0.000 0.848 200 V CB 1.482 33.166 31.823 -0.231 0.000 0.998 200 V HN 0.769 nan 8.190 nan 0.000 0.424 201 I N 3.887 124.159 120.570 -0.497 0.000 2.328 201 I HA 0.377 4.548 4.170 0.001 0.000 0.287 201 I C -0.525 175.313 176.117 -0.465 0.000 1.012 201 I CA -0.135 60.815 61.300 -0.583 0.000 1.195 201 I CB 1.451 38.966 38.000 -0.808 0.000 1.350 201 I HN 0.514 nan 8.210 nan 0.000 0.464 202 D N 6.649 126.849 120.400 -0.333 0.000 2.485 202 D HA 0.217 4.857 4.640 0.001 0.000 0.229 202 D C 0.848 177.118 176.300 -0.050 0.000 1.101 202 D CA -0.377 53.511 54.000 -0.187 0.000 0.906 202 D CB 1.317 42.039 40.800 -0.130 0.000 1.019 202 D HN 0.248 nan 8.370 nan 0.000 0.516 203 V N 3.326 123.191 119.914 -0.081 0.000 2.237 203 V HA -0.212 3.909 4.120 0.001 0.000 0.245 203 V C 2.665 178.902 176.094 0.238 0.000 1.046 203 V CA 1.861 64.270 62.300 0.183 0.000 1.007 203 V CB -1.111 30.766 31.823 0.090 0.000 0.638 203 V HN 0.576 nan 8.190 nan 0.000 0.445 204 A N -0.114 122.778 122.820 0.119 0.000 1.958 204 A HA -0.282 4.038 4.320 0.001 0.000 0.221 204 A C 2.240 179.918 177.584 0.157 0.000 1.178 204 A CA 2.293 54.452 52.037 0.203 0.000 0.642 204 A CB -0.472 18.584 19.000 0.094 0.000 0.816 204 A HN 0.583 nan 8.150 nan 0.000 0.453 205 K N -1.857 118.603 120.400 0.101 0.000 2.393 205 K HA 0.207 4.527 4.320 0.001 0.000 0.193 205 K C 0.930 177.591 176.600 0.103 0.000 1.026 205 K CA 0.546 56.879 56.287 0.077 0.000 1.064 205 K CB 0.059 32.576 32.500 0.030 0.000 0.833 205 K HN 0.738 nan 8.250 nan 0.000 0.521 206 G N 3.007 111.918 108.800 0.184 0.000 2.272 206 G HA2 -0.286 3.674 3.960 0.001 0.000 0.280 206 G HA3 -0.286 3.674 3.960 0.001 0.000 0.280 206 G C -0.367 174.656 174.900 0.204 0.000 1.067 206 G CA 0.637 45.844 45.100 0.177 0.000 0.902 206 G HN 0.438 nan 8.290 nan 0.000 0.500 207 E N -0.903 119.495 120.200 0.330 0.000 2.314 207 E HA 0.612 4.962 4.350 0.001 0.000 0.272 207 E C -0.726 175.984 176.600 0.183 0.000 0.884 207 E CA -0.926 55.599 56.400 0.207 0.000 0.753 207 E CB 2.317 32.064 29.700 0.079 0.000 1.213 207 E HN 0.194 nan 8.360 nan 0.000 0.432 208 V N 4.052 124.067 119.914 0.168 0.000 2.459 208 V HA 0.606 4.727 4.120 0.001 0.000 0.295 208 V C -0.102 176.010 176.094 0.031 0.000 1.029 208 V CA -0.573 61.774 62.300 0.077 0.000 0.874 208 V CB 1.571 33.508 31.823 0.190 0.000 0.985 208 V HN 0.667 nan 8.190 nan 0.000 0.438 209 R N 2.859 123.339 120.500 -0.034 0.000 2.808 209 R HA 0.649 4.989 4.340 0.001 0.000 0.272 209 R C -1.056 175.219 176.300 -0.041 0.000 0.995 209 R CA -0.929 55.148 56.100 -0.037 0.000 0.917 209 R CB 2.210 32.464 30.300 -0.077 0.000 1.217 209 R HN 0.801 nan 8.270 nan 0.000 0.471 210 K N 0.642 121.030 120.400 -0.021 0.000 2.110 210 K HA 0.749 5.069 4.320 0.001 0.000 0.263 210 K C -0.523 176.060 176.600 -0.029 0.000 0.975 210 K CA -0.304 55.977 56.287 -0.009 0.000 0.895 210 K CB 1.945 34.457 32.500 0.019 0.000 1.060 210 K HN 0.609 nan 8.250 nan 0.000 0.448 211 G N 0.911 109.701 108.800 -0.017 0.000 2.846 211 G HA2 0.185 4.146 3.960 0.001 0.000 0.299 211 G HA3 0.185 4.146 3.960 0.001 0.000 0.299 211 G C -0.512 174.398 174.900 0.016 0.000 1.242 211 G CA -0.619 44.468 45.100 -0.022 0.000 0.800 211 G HN 0.541 nan 8.290 nan 0.000 0.538 212 E N 0.047 120.263 120.200 0.027 0.000 2.170 212 E HA 0.112 4.463 4.350 0.001 0.000 0.191 212 E C 0.083 176.728 176.600 0.076 0.000 0.981 212 E CA 1.118 57.547 56.400 0.049 0.000 0.830 212 E CB 0.351 30.078 29.700 0.046 0.000 0.775 212 E HN 0.595 nan 8.360 nan 0.000 0.470 213 E N -0.552 119.711 120.200 0.105 0.000 2.449 213 E HA 0.316 4.667 4.350 0.001 0.000 0.278 213 E C -1.025 175.668 176.600 0.155 0.000 0.992 213 E CA -0.961 55.518 56.400 0.130 0.000 0.807 213 E CB 0.187 29.955 29.700 0.114 0.000 1.350 213 E HN -0.090 nan 8.360 nan 0.000 0.462 214 F N 1.687 121.642 119.950 0.008 0.000 2.590 214 F HA 0.328 4.855 4.527 0.001 0.000 0.389 214 F C -0.857 174.917 175.800 -0.043 0.000 1.049 214 F CA 0.401 58.377 58.000 -0.041 0.000 1.199 214 F CB 0.054 39.004 39.000 -0.084 0.000 1.058 214 F HN 0.441 nan 8.300 nan 0.000 0.556 215 F N 6.069 125.641 119.950 -0.629 0.000 2.557 215 F HA 0.551 5.078 4.527 0.000 0.000 0.316 215 F C -1.593 173.819 175.800 -0.648 0.000 1.141 215 F CA -0.958 56.765 58.000 -0.462 0.000 0.922 215 F CB 1.441 40.275 39.000 -0.277 0.000 1.194 215 F HN 0.040 nan 8.300 nan 0.000 0.443 216 V N 6.674 126.458 119.914 -0.217 0.000 2.304 216 V HA 0.241 4.362 4.120 0.001 0.000 0.278 216 V C -0.419 175.673 176.094 -0.004 0.000 1.018 216 V CA -0.820 61.343 62.300 -0.228 0.000 0.814 216 V CB 1.216 32.836 31.823 -0.338 0.000 1.021 216 V HN 0.518 nan 8.190 nan 0.000 0.440 217 V N 4.018 123.954 119.914 0.037 0.000 2.529 217 V HA 0.058 4.178 4.120 0.001 0.000 0.292 217 V C 0.751 176.802 176.094 -0.071 0.000 1.028 217 V CA 0.001 62.337 62.300 0.060 0.000 1.074 217 V CB 0.731 32.501 31.823 -0.088 0.000 0.958 217 V HN 0.803 nan 8.190 nan 0.000 0.481 218 D N 6.981 127.372 120.400 -0.015 0.000 2.425 218 D HA 0.091 4.732 4.640 0.001 0.000 0.247 218 D C -1.535 174.659 176.300 -0.177 0.000 1.147 218 D CA -1.429 52.540 54.000 -0.053 0.000 0.879 218 D CB 2.023 42.874 40.800 0.084 0.000 1.179 218 D HN 0.274 nan 8.370 nan 0.000 0.456 219 P HA -0.066 nan 4.420 nan 0.000 0.221 219 P C 1.427 178.506 177.300 -0.367 0.000 1.150 219 P CA 0.193 62.937 63.100 -0.594 0.000 0.800 219 P CB 0.448 31.137 31.700 -1.685 0.000 0.787 220 V N -0.665 119.102 119.914 -0.246 0.000 3.129 220 V HA -0.020 4.101 4.120 0.001 0.000 0.259 220 V C 0.448 176.464 176.094 -0.130 0.000 1.116 220 V CA 1.357 63.590 62.300 -0.112 0.000 1.127 220 V CB -0.500 31.340 31.823 0.028 0.000 0.742 220 V HN 0.115 nan 8.190 nan 0.000 0.474 221 D N -1.079 119.271 120.400 -0.084 0.000 2.312 221 D HA 0.067 4.708 4.640 0.001 0.000 0.229 221 D C 1.029 177.313 176.300 -0.027 0.000 1.337 221 D CA -0.097 53.863 54.000 -0.067 0.000 0.964 221 D CB 0.863 41.629 40.800 -0.056 0.000 1.456 221 D HN 0.465 nan 8.370 nan 0.000 0.547 222 E N 1.979 122.154 120.200 -0.042 0.000 2.333 222 E HA -0.206 4.144 4.350 0.001 0.000 0.200 222 E C 0.919 177.522 176.600 0.004 0.000 1.010 222 E CA 0.831 57.206 56.400 -0.040 0.000 0.841 222 E CB 0.210 29.870 29.700 -0.066 0.000 0.757 222 E HN 0.122 nan 8.360 nan 0.000 0.508 223 K N 0.463 120.882 120.400 0.031 0.000 2.314 223 K HA 0.092 4.412 4.320 0.001 0.000 0.198 223 K C 0.851 177.562 176.600 0.186 0.000 1.045 223 K CA 0.049 56.388 56.287 0.087 0.000 0.988 223 K CB 0.105 32.630 32.500 0.042 0.000 0.783 223 K HN 0.015 nan 8.250 nan 0.000 0.484 224 R N 2.669 123.247 120.500 0.130 0.000 2.442 224 R HA 0.022 4.362 4.340 0.001 0.000 0.291 224 R C -0.314 176.033 176.300 0.078 0.000 1.069 224 R CA 0.018 56.169 56.100 0.085 0.000 1.022 224 R CB 0.132 30.470 30.300 0.064 0.000 0.976 224 R HN -0.040 nan 8.270 nan 0.000 0.443 225 N N 3.812 122.366 118.700 -0.243 0.000 2.558 225 N HA 0.025 4.765 4.740 0.001 0.000 0.233 225 N C 0.923 176.234 175.510 -0.332 0.000 1.038 225 N CA -0.172 52.470 53.050 -0.679 0.000 0.934 225 N CB 0.829 38.460 38.487 -1.427 0.000 1.175 225 N HN 0.303 nan 8.380 nan 0.000 0.512 226 V N 2.648 122.454 119.914 -0.180 0.000 2.439 226 V HA -0.238 3.882 4.120 0.001 0.000 0.253 226 V C 1.821 177.824 176.094 -0.151 0.000 1.074 226 V CA 2.235 64.476 62.300 -0.097 0.000 1.076 226 V CB -0.927 30.852 31.823 -0.074 0.000 0.664 226 V HN 0.759 nan 8.190 nan 0.000 0.461 227 A N -0.681 122.007 122.820 -0.221 0.000 2.411 227 A HA 0.562 4.882 4.320 0.001 0.000 0.251 227 A C 2.116 179.570 177.584 -0.216 0.000 1.317 227 A CA 0.755 52.675 52.037 -0.194 0.000 0.904 227 A CB -0.388 18.585 19.000 -0.046 0.000 0.993 227 A HN 0.475 nan 8.150 nan 0.000 0.504 228 A N 0.951 123.619 122.820 -0.252 0.000 1.892 228 A HA -0.230 4.090 4.320 0.001 0.000 0.218 228 A C 1.816 179.306 177.584 -0.157 0.000 1.188 228 A CA 2.053 53.955 52.037 -0.225 0.000 0.631 228 A CB -0.389 18.491 19.000 -0.201 0.000 0.822 228 A HN 0.513 nan 8.150 nan 0.000 0.447 229 N N -0.972 117.625 118.700 -0.172 0.000 2.270 229 N HA 0.092 4.832 4.740 0.001 0.000 0.198 229 N C -0.048 175.356 175.510 -0.176 0.000 1.117 229 N CA -0.299 52.650 53.050 -0.168 0.000 0.845 229 N CB -0.388 37.941 38.487 -0.263 0.000 0.980 229 N HN 0.348 nan 8.380 nan 0.000 0.486 230 L N 1.879 122.966 121.223 -0.227 0.000 2.530 230 L HA 0.166 4.507 4.340 0.001 0.000 0.273 230 L C 0.446 177.204 176.870 -0.187 0.000 1.141 230 L CA -0.213 54.448 54.840 -0.299 0.000 0.905 230 L CB -0.183 41.567 42.059 -0.515 0.000 1.202 230 L HN 0.149 nan 8.230 nan 0.000 0.473 231 S N 4.585 120.214 115.700 -0.119 0.000 2.568 231 S HA 0.043 4.513 4.470 0.001 0.000 0.282 231 S C 1.218 175.775 174.600 -0.071 0.000 1.338 231 S CA -0.109 58.058 58.200 -0.054 0.000 1.045 231 S CB 0.636 63.831 63.200 -0.007 0.000 0.873 231 S HN 0.817 nan 8.310 nan 0.000 0.516 232 L N 2.159 123.358 121.223 -0.041 0.000 1.978 232 L HA -0.135 4.206 4.340 0.001 0.000 0.218 232 L C 1.799 178.657 176.870 -0.020 0.000 1.075 232 L CA 2.386 57.205 54.840 -0.035 0.000 0.767 232 L CB -1.557 40.500 42.059 -0.003 0.000 0.890 232 L HN 0.809 nan 8.230 nan 0.000 0.434 233 D N -0.248 120.150 120.400 -0.004 0.000 2.116 233 D HA -0.216 4.424 4.640 0.001 0.000 0.193 233 D C 1.991 178.310 176.300 0.032 0.000 0.998 233 D CA 1.928 55.934 54.000 0.009 0.000 0.836 233 D CB -0.514 40.286 40.800 -0.000 0.000 0.951 233 D HN 0.603 nan 8.370 nan 0.000 0.449 234 N N -0.051 118.668 118.700 0.032 0.000 2.166 234 N HA -0.128 4.613 4.740 0.001 0.000 0.186 234 N C 1.774 177.385 175.510 0.168 0.000 1.019 234 N CA 0.245 53.349 53.050 0.089 0.000 0.856 234 N CB -0.084 38.442 38.487 0.065 0.000 0.993 234 N HN 0.035 nan 8.380 nan 0.000 0.426 235 L N 1.381 122.635 121.223 0.052 0.000 1.990 235 L HA -0.183 4.157 4.340 0.001 0.000 0.213 235 L C 2.145 179.130 176.870 0.191 0.000 1.072 235 L CA 1.789 56.672 54.840 0.073 0.000 0.755 235 L CB -0.840 41.088 42.059 -0.218 0.000 0.889 235 L HN 0.128 nan 8.230 nan 0.000 0.432 236 A N -0.650 122.235 122.820 0.107 0.000 1.902 236 A HA -0.220 4.100 4.320 0.001 0.000 0.217 236 A C 2.425 180.094 177.584 0.141 0.000 1.181 236 A CA 1.829 53.930 52.037 0.106 0.000 0.623 236 A CB -0.572 18.459 19.000 0.050 0.000 0.818 236 A HN 0.532 nan 8.150 nan 0.000 0.443 237 R N -1.946 118.643 120.500 0.148 0.000 2.080 237 R HA -0.130 4.210 4.340 0.001 0.000 0.236 237 R C 2.000 178.444 176.300 0.240 0.000 1.137 237 R CA 1.715 57.916 56.100 0.168 0.000 0.943 237 R CB -0.537 29.843 30.300 0.134 0.000 0.846 237 R HN 0.567 nan 8.270 nan 0.000 0.431 238 F N 1.224 121.261 119.950 0.145 0.000 2.095 238 F HA -0.237 4.291 4.527 0.001 0.000 0.298 238 F C 2.181 178.028 175.800 0.079 0.000 1.104 238 F CA 1.693 59.768 58.000 0.126 0.000 1.232 238 F CB -0.643 38.492 39.000 0.225 0.000 0.987 238 F HN -0.103 nan 8.300 nan 0.000 0.475 239 V N -0.384 119.526 119.914 -0.008 0.000 2.343 239 V HA -0.298 3.822 4.120 0.001 0.000 0.247 239 V C 2.542 178.553 176.094 -0.139 0.000 1.051 239 V CA 2.558 64.735 62.300 -0.204 0.000 1.036 239 V CB -1.209 30.606 31.823 -0.013 0.000 0.654 239 V HN 0.592 nan 8.190 nan 0.000 0.451 240 H N -0.486 118.541 119.070 -0.073 0.000 2.319 240 H HA -0.120 4.437 4.556 0.001 0.000 0.299 240 H C 2.365 177.683 175.328 -0.016 0.000 1.092 240 H CA 2.314 58.342 56.048 -0.033 0.000 1.302 240 H CB 0.051 29.818 29.762 0.008 0.000 1.373 240 H HN 0.389 nan 8.280 nan 0.000 0.497 241 L N 0.643 121.872 121.223 0.010 0.000 2.043 241 L HA -0.251 4.089 4.340 0.001 0.000 0.212 241 L C 3.084 179.998 176.870 0.074 0.000 1.075 241 L CA 1.276 56.169 54.840 0.088 0.000 0.752 241 L CB -1.535 40.581 42.059 0.095 0.000 0.891 241 L HN 0.472 nan 8.230 nan 0.000 0.432 242 C N -0.827 118.350 119.300 -0.206 0.000 2.432 242 C HA -0.168 4.292 4.460 0.001 0.000 0.277 242 C C 2.847 177.705 174.990 -0.220 0.000 1.249 242 C CA 0.503 59.323 59.018 -0.329 0.000 1.725 242 C CB -0.816 26.516 27.740 -0.681 0.000 2.028 242 C HN 0.476 nan 8.230 nan 0.000 0.477 243 R N 0.636 120.997 120.500 -0.233 0.000 2.081 243 R HA -0.135 4.206 4.340 0.001 0.000 0.235 243 R C 2.118 178.319 176.300 -0.167 0.000 1.131 243 R CA 1.404 57.387 56.100 -0.196 0.000 0.960 243 R CB -0.326 29.866 30.300 -0.180 0.000 0.856 243 R HN 0.659 nan 8.270 nan 0.000 0.436 244 E N -0.238 119.860 120.200 -0.169 0.000 2.077 244 E HA -0.201 4.150 4.350 0.001 0.000 0.193 244 E C 1.662 178.256 176.600 -0.010 0.000 0.989 244 E CA 1.082 57.453 56.400 -0.047 0.000 0.800 244 E CB -0.108 29.631 29.700 0.065 0.000 0.746 244 E HN 0.242 nan 8.360 nan 0.000 0.452 245 F N 1.013 120.799 119.950 -0.273 0.000 2.146 245 F HA -0.190 4.338 4.527 0.001 0.000 0.298 245 F C 2.148 177.707 175.800 -0.402 0.000 1.096 245 F CA 1.110 58.698 58.000 -0.687 0.000 1.275 245 F CB 0.043 38.553 39.000 -0.815 0.000 1.008 245 F HN -0.053 nan 8.300 nan 0.000 0.480 246 M N 0.354 119.840 119.600 -0.190 0.000 2.213 246 M HA -0.181 4.299 4.480 0.001 0.000 0.263 246 M C 1.928 178.084 176.300 -0.240 0.000 1.062 246 M CA 1.504 56.675 55.300 -0.216 0.000 1.105 246 M CB -1.285 31.229 32.600 -0.143 0.000 1.385 246 M HN 0.316 nan 8.290 nan 0.000 0.417 247 E N -0.217 119.864 120.200 -0.199 0.000 2.158 247 E HA 0.103 4.454 4.350 0.001 0.000 0.191 247 E C 0.372 176.875 176.600 -0.162 0.000 0.982 247 E CA 0.767 57.078 56.400 -0.147 0.000 0.823 247 E CB 0.209 29.851 29.700 -0.097 0.000 0.766 247 E HN 0.384 nan 8.360 nan 0.000 0.468 248 A N 1.970 124.661 122.820 -0.215 0.000 3.307 248 A HA 0.324 4.644 4.320 0.001 0.000 0.289 248 A C -2.750 174.648 177.584 -0.311 0.000 1.138 248 A CA -1.162 50.769 52.037 -0.177 0.000 0.860 248 A CB 0.300 19.276 19.000 -0.041 0.000 1.318 248 A HN -0.119 nan 8.150 nan 0.000 0.551 249 P HA 0.364 nan 4.420 nan 0.000 0.268 249 P C 0.120 177.227 177.300 -0.323 0.000 1.204 249 P CA 0.462 62.954 63.100 -1.013 0.000 0.768 249 P CB 1.242 32.366 31.700 -0.961 0.000 0.842 250 S N 1.978 117.669 115.700 -0.014 0.000 2.596 250 S HA 0.292 4.762 4.470 0.001 0.000 0.270 250 S C 0.425 175.326 174.600 0.502 0.000 1.155 250 S CA -0.706 57.645 58.200 0.252 0.000 0.827 250 S CB 0.699 64.058 63.200 0.264 0.000 1.130 250 S HN 0.145 nan 8.310 nan 0.000 0.467 251 L N 2.444 123.883 121.223 0.360 0.000 2.127 251 L HA 0.167 4.507 4.340 0.001 0.000 0.211 251 L C 2.474 179.599 176.870 0.425 0.000 1.089 251 L CA 2.573 57.646 54.840 0.389 0.000 0.757 251 L CB -1.465 40.709 42.059 0.192 0.000 0.899 251 L HN 1.081 nan 8.230 nan 0.000 0.434 252 G N -0.488 108.506 108.800 0.323 0.000 2.679 252 G HA2 -0.399 3.562 3.960 0.001 0.000 0.222 252 G HA3 -0.399 3.562 3.960 0.001 0.000 0.222 252 G C 1.429 176.431 174.900 0.169 0.000 1.164 252 G CA 1.453 46.666 45.100 0.188 0.000 0.769 252 G HN 0.426 nan 8.290 nan 0.000 0.610 253 F N -0.340 119.708 119.950 0.163 0.000 2.494 253 F HA 0.167 4.695 4.527 0.000 0.000 0.298 253 F C 1.731 177.356 175.800 -0.291 0.000 1.106 253 F CA 0.485 58.457 58.000 -0.047 0.000 1.452 253 F CB -0.207 38.873 39.000 0.134 0.000 1.085 253 F HN 0.118 nan 8.300 nan 0.000 0.569 254 F N -0.640 119.454 119.950 0.241 0.000 2.678 254 F HA 0.195 4.723 4.527 0.001 0.000 0.305 254 F C 0.735 176.555 175.800 0.034 0.000 1.090 254 F CA -0.259 57.810 58.000 0.115 0.000 1.272 254 F CB -0.042 39.015 39.000 0.095 0.000 1.060 254 F HN -0.391 nan 8.300 nan 0.000 0.576 255 K N 2.577 123.064 120.400 0.146 0.000 2.185 255 K HA 0.374 4.694 4.320 0.001 0.000 0.269 255 K C -2.732 173.834 176.600 -0.057 0.000 0.987 255 K CA -1.714 54.604 56.287 0.051 0.000 0.865 255 K CB 1.287 33.813 32.500 0.044 0.000 1.090 255 K HN -0.148 nan 8.250 nan 0.000 0.450 256 P HA 0.245 nan 4.420 nan 0.000 0.282 256 P C -0.834 176.211 177.300 -0.425 0.000 1.249 256 P CA -0.550 62.431 63.100 -0.198 0.000 0.806 256 P CB 0.951 32.588 31.700 -0.105 0.000 0.984 257 K N 1.752 121.927 120.400 -0.376 0.000 2.118 257 K HA 0.390 4.710 4.320 0.001 0.000 0.267 257 K C -0.317 175.996 176.600 -0.478 0.000 0.991 257 K CA -0.474 55.574 56.287 -0.399 0.000 0.916 257 K CB 0.524 32.902 32.500 -0.203 0.000 1.041 257 K HN 0.619 nan 8.250 nan 0.000 0.455 258 H N 1.320 120.381 119.070 -0.016 0.000 2.600 258 H HA 0.244 4.801 4.556 0.001 0.000 0.357 258 H C -2.314 173.005 175.328 -0.015 0.000 1.106 258 H CA -2.141 53.901 56.048 -0.010 0.000 1.193 258 H CB 1.374 31.135 29.762 -0.001 0.000 1.594 258 H HN 0.427 nan 8.280 nan 0.000 0.526 259 P HA -0.047 nan 4.420 nan 0.000 0.269 259 P C -0.679 176.644 177.300 0.038 0.000 1.217 259 P CA -0.322 62.801 63.100 0.037 0.000 0.783 259 P CB 1.016 32.729 31.700 0.022 0.000 0.898 260 L N 1.671 122.901 121.223 0.013 0.000 2.360 260 L HA 0.267 4.607 4.340 0.001 0.000 0.271 260 L C 0.843 177.713 176.870 -0.000 0.000 1.057 260 L CA -0.609 54.237 54.840 0.009 0.000 0.803 260 L CB -0.043 42.015 42.059 -0.001 0.000 1.207 260 L HN 0.406 nan 8.230 nan 0.000 0.445 261 E N 2.707 122.908 120.200 0.002 0.000 2.417 261 E HA 0.159 4.510 4.350 0.001 0.000 0.261 261 E C -0.420 176.173 176.600 -0.012 0.000 1.000 261 E CA 0.436 56.835 56.400 -0.002 0.000 0.919 261 E CB 0.844 30.546 29.700 0.002 0.000 0.955 261 E HN 0.354 nan 8.360 nan 0.000 0.455 262 I N 2.554 123.111 120.570 -0.021 0.000 2.406 262 I HA 0.103 4.273 4.170 0.001 0.000 0.290 262 I C -0.546 175.552 176.117 -0.033 0.000 0.999 262 I CA -0.992 60.286 61.300 -0.037 0.000 1.124 262 I CB 1.045 39.007 38.000 -0.062 0.000 1.289 262 I HN 0.446 nan 8.210 nan 0.000 0.441 263 E N 8.481 128.664 120.200 -0.029 0.000 2.529 263 E HA -0.012 4.339 4.350 0.001 0.000 0.259 263 E C -1.972 174.608 176.600 -0.033 0.000 0.966 263 E CA -0.751 55.639 56.400 -0.016 0.000 0.937 263 E CB -0.065 29.627 29.700 -0.012 0.000 0.923 263 E HN 0.420 nan 8.360 nan 0.000 0.468 264 P HA -0.168 nan 4.420 nan 0.000 0.226 264 P C 0.760 178.064 177.300 0.007 0.000 1.146 264 P CA 0.931 64.062 63.100 0.052 0.000 0.773 264 P CB 0.329 32.137 31.700 0.180 0.000 0.772 265 E N -0.229 119.969 120.200 -0.003 0.000 2.042 265 E HA -0.092 4.259 4.350 0.001 0.000 0.189 265 E C 2.178 178.739 176.600 -0.064 0.000 0.974 265 E CA 0.800 57.198 56.400 -0.003 0.000 0.806 265 E CB -0.529 29.178 29.700 0.012 0.000 0.769 265 E HN -0.069 nan 8.360 nan 0.000 0.451 266 R N -0.157 120.295 120.500 -0.079 0.000 2.119 266 R HA -0.188 4.153 4.340 0.001 0.000 0.246 266 R C 2.114 178.313 176.300 -0.169 0.000 1.146 266 R CA 1.492 57.535 56.100 -0.095 0.000 0.962 266 R CB -0.432 29.820 30.300 -0.080 0.000 0.863 266 R HN 0.223 nan 8.270 nan 0.000 0.442 267 L N 1.060 122.109 121.223 -0.290 0.000 2.093 267 L HA -0.108 4.233 4.340 0.001 0.000 0.208 267 L C 2.517 178.998 176.870 -0.649 0.000 1.085 267 L CA 1.661 56.168 54.840 -0.555 0.000 0.755 267 L CB -0.554 40.991 42.059 -0.856 0.000 0.904 267 L HN 0.168 nan 8.230 nan 0.000 0.435 268 R N -0.612 119.641 120.500 -0.412 0.000 2.066 268 R HA -0.139 4.201 4.340 0.001 0.000 0.232 268 R C 2.254 178.551 176.300 -0.006 0.000 1.131 268 R CA 1.238 57.322 56.100 -0.026 0.000 0.955 268 R CB -0.052 30.345 30.300 0.162 0.000 0.851 268 R HN 0.284 nan 8.270 nan 0.000 0.432 269 K N 0.333 120.710 120.400 -0.038 0.000 2.103 269 K HA -0.143 4.178 4.320 0.001 0.000 0.207 269 K C 2.147 178.732 176.600 -0.025 0.000 1.048 269 K CA 1.347 57.623 56.287 -0.017 0.000 0.930 269 K CB -0.174 32.312 32.500 -0.023 0.000 0.716 269 K HN 0.262 nan 8.250 nan 0.000 0.444 270 I N 0.432 120.963 120.570 -0.066 0.000 2.202 270 I HA -0.254 3.916 4.170 0.001 0.000 0.242 270 I C 2.296 178.400 176.117 -0.022 0.000 1.091 270 I CA 0.835 62.102 61.300 -0.054 0.000 1.368 270 I CB -0.213 37.734 38.000 -0.089 0.000 1.058 270 I HN -0.126 nan 8.210 nan 0.000 0.410 271 V N 1.606 121.508 119.914 -0.019 0.000 2.332 271 V HA -0.292 3.828 4.120 0.001 0.000 0.248 271 V C 2.507 178.645 176.094 0.074 0.000 1.055 271 V CA 2.360 64.693 62.300 0.055 0.000 1.038 271 V CB -0.871 31.043 31.823 0.150 0.000 0.651 271 V HN 0.625 nan 8.190 nan 0.000 0.450 272 E N 0.018 120.258 120.200 0.068 0.000 2.208 272 E HA -0.269 4.081 4.350 0.001 0.000 0.193 272 E C 1.947 178.573 176.600 0.044 0.000 0.988 272 E CA 1.333 57.771 56.400 0.063 0.000 0.828 272 E CB -0.247 29.492 29.700 0.065 0.000 0.763 272 E HN 0.613 nan 8.360 nan 0.000 0.478 273 E N 1.144 121.361 120.200 0.030 0.000 2.085 273 E HA -0.147 4.203 4.350 0.001 0.000 0.194 273 E C 2.084 178.701 176.600 0.028 0.000 0.994 273 E CA 1.680 58.093 56.400 0.022 0.000 0.801 273 E CB 0.099 29.805 29.700 0.010 0.000 0.743 273 E HN 0.285 nan 8.360 nan 0.000 0.453 274 R N -1.370 119.150 120.500 0.033 0.000 2.153 274 R HA 0.122 4.462 4.340 0.001 0.000 0.218 274 R C 1.185 177.515 176.300 0.050 0.000 1.072 274 R CA 0.659 56.782 56.100 0.039 0.000 0.990 274 R CB 0.064 30.389 30.300 0.041 0.000 0.889 274 R HN 0.230 nan 8.270 nan 0.000 0.452 275 G N 1.843 110.678 108.800 0.057 0.000 2.256 275 G HA2 -0.277 3.683 3.960 0.001 0.000 0.272 275 G HA3 -0.277 3.683 3.960 0.001 0.000 0.272 275 G C 0.018 174.965 174.900 0.079 0.000 1.076 275 G CA 0.518 45.657 45.100 0.064 0.000 0.882 275 G HN 0.453 nan 8.290 nan 0.000 0.497 276 T N -2.754 111.856 114.554 0.094 0.000 2.942 276 T HA 0.865 5.216 4.350 0.001 0.000 0.289 276 T C 0.179 174.963 174.700 0.139 0.000 1.044 276 T CA -0.013 62.154 62.100 0.112 0.000 1.023 276 T CB 2.371 71.305 68.868 0.110 0.000 1.123 276 T HN 1.705 nan 8.240 nan 0.000 0.512 277 A N 1.199 124.119 122.820 0.167 0.000 2.320 277 A HA 0.673 4.993 4.320 0.001 0.000 0.287 277 A C 0.228 177.980 177.584 0.279 0.000 1.181 277 A CA -0.673 51.496 52.037 0.221 0.000 0.831 277 A CB -0.057 19.080 19.000 0.227 0.000 1.102 277 A HN 1.662 nan 8.150 nan 0.000 0.513 278 V N 2.234 122.321 119.914 0.289 0.000 2.588 278 V HA 0.979 5.100 4.120 0.001 0.000 0.304 278 V C -0.964 175.330 176.094 0.333 0.000 1.042 278 V CA -0.850 61.593 62.300 0.239 0.000 0.877 278 V CB 0.826 32.763 31.823 0.190 0.000 0.996 278 V HN 1.327 nan 8.190 nan 0.000 0.425 279 F N 2.841 122.876 119.950 0.142 0.000 2.719 279 F HA 0.992 5.520 4.527 0.001 0.000 0.309 279 F C -0.531 175.392 175.800 0.205 0.000 1.138 279 F CA -0.559 57.520 58.000 0.130 0.000 0.943 279 F CB 0.893 39.954 39.000 0.101 0.000 1.304 279 F HN 0.880 nan 8.300 nan 0.000 0.445 280 A N 1.259 124.273 122.820 0.322 0.000 2.356 280 A HA 0.812 5.132 4.320 0.001 0.000 0.323 280 A C -1.171 176.659 177.584 0.411 0.000 1.119 280 A CA -0.501 51.704 52.037 0.280 0.000 0.790 280 A CB 1.717 20.872 19.000 0.259 0.000 1.273 280 A HN 1.967 nan 8.150 nan 0.000 0.452 281 V N 0.689 120.847 119.914 0.408 0.000 2.347 281 V HA 0.654 4.774 4.120 0.001 0.000 0.280 281 V C -0.281 176.007 176.094 0.324 0.000 1.021 281 V CA -0.501 62.028 62.300 0.382 0.000 0.847 281 V CB 0.897 32.910 31.823 0.317 0.000 0.990 281 V HN 0.918 nan 8.190 nan 0.000 0.444 282 K N 6.669 127.193 120.400 0.206 0.000 2.182 282 K HA 0.744 5.064 4.320 0.001 0.000 0.262 282 K C -1.295 175.333 176.600 0.047 0.000 0.957 282 K CA -0.611 55.630 56.287 -0.076 0.000 0.842 282 K CB 1.512 33.896 32.500 -0.192 0.000 1.099 282 K HN 0.882 nan 8.250 nan 0.000 0.438 283 F N -0.208 119.701 119.950 -0.068 0.000 2.678 283 F HA 0.460 4.987 4.527 0.001 0.000 0.308 283 F C -0.795 175.213 175.800 0.346 0.000 1.118 283 F CA -1.471 56.607 58.000 0.130 0.000 0.959 283 F CB 0.766 39.785 39.000 0.032 0.000 1.305 283 F HN 0.391 nan 8.300 nan 0.000 0.443 284 R N 2.196 123.082 120.500 0.644 0.000 2.638 284 R HA 0.095 4.436 4.340 0.001 0.000 0.268 284 R C -0.390 175.997 176.300 0.145 0.000 1.006 284 R CA 0.037 56.312 56.100 0.292 0.000 1.088 284 R CB 0.434 30.874 30.300 0.234 0.000 0.950 284 R HN 0.793 nan 8.270 nan 0.000 0.419 285 K N 5.450 125.812 120.400 -0.063 0.000 2.276 285 K HA 0.257 4.577 4.320 0.001 0.000 0.285 285 K C -2.196 174.400 176.600 -0.006 0.000 1.062 285 K CA -1.753 54.501 56.287 -0.056 0.000 0.918 285 K CB 0.862 33.288 32.500 -0.122 0.000 1.055 285 K HN 0.315 nan 8.250 nan 0.000 0.477 286 P HA 0.008 nan 4.420 nan 0.000 0.271 286 P C -1.125 176.169 177.300 -0.010 0.000 1.216 286 P CA -0.225 62.887 63.100 0.021 0.000 0.771 286 P CB 0.623 32.342 31.700 0.032 0.000 0.864 287 D N 4.050 124.437 120.400 -0.022 0.000 2.470 287 D HA 0.248 4.888 4.640 0.001 0.000 0.226 287 D C -0.181 176.104 176.300 -0.024 0.000 1.196 287 D CA -0.125 53.858 54.000 -0.028 0.000 0.979 287 D CB -0.836 39.942 40.800 -0.037 0.000 1.059 287 D HN 0.313 nan 8.370 nan 0.000 0.515 288 I N -0.629 119.933 120.570 -0.014 0.000 3.195 288 I HA 0.522 4.693 4.170 0.001 0.000 0.313 288 I C -0.413 175.713 176.117 0.016 0.000 1.237 288 I CA -1.443 59.851 61.300 -0.009 0.000 0.963 288 I CB 1.605 39.601 38.000 -0.007 0.000 1.278 288 I HN -0.046 nan 8.210 nan 0.000 0.460 289 V N -0.149 119.782 119.914 0.027 0.000 2.924 289 V HA 0.250 4.370 4.120 0.001 0.000 0.305 289 V C 0.777 176.947 176.094 0.126 0.000 1.073 289 V CA 0.207 62.549 62.300 0.069 0.000 1.098 289 V CB 0.829 32.694 31.823 0.069 0.000 1.000 289 V HN 0.870 nan 8.190 nan 0.000 0.484 290 D N 1.793 122.304 120.400 0.185 0.000 2.133 290 D HA -0.202 4.438 4.640 0.001 0.000 0.192 290 D C 1.663 178.181 176.300 0.365 0.000 1.001 290 D CA 2.368 56.570 54.000 0.338 0.000 0.844 290 D CB -0.124 40.864 40.800 0.313 0.000 0.944 290 D HN 0.861 nan 8.370 nan 0.000 0.447 291 D N -0.056 120.502 120.400 0.264 0.000 2.264 291 D HA -0.090 4.551 4.640 0.001 0.000 0.208 291 D C 1.386 177.829 176.300 0.237 0.000 0.966 291 D CA 0.508 54.691 54.000 0.305 0.000 0.864 291 D CB -0.039 40.920 40.800 0.266 0.000 0.933 291 D HN 0.233 nan 8.370 nan 0.000 0.499 292 N N 0.856 119.649 118.700 0.154 0.000 2.305 292 N HA 0.007 4.747 4.740 0.001 0.000 0.179 292 N C 2.085 177.614 175.510 0.032 0.000 1.019 292 N CA 0.020 53.115 53.050 0.075 0.000 0.869 292 N CB -0.338 38.179 38.487 0.049 0.000 1.000 292 N HN 0.180 nan 8.380 nan 0.000 0.431 293 L N -0.040 121.210 121.223 0.045 0.000 1.989 293 L HA -0.218 4.122 4.340 0.001 0.000 0.211 293 L C 1.952 178.719 176.870 -0.172 0.000 1.071 293 L CA 1.585 56.380 54.840 -0.075 0.000 0.749 293 L CB -0.260 41.718 42.059 -0.136 0.000 0.890 293 L HN 0.146 nan 8.230 nan 0.000 0.431 294 Y N -0.481 119.792 120.300 -0.047 0.000 2.220 294 Y HA -0.115 4.436 4.550 0.001 0.000 0.291 294 Y C -0.356 175.417 175.900 -0.211 0.000 1.129 294 Y CA 1.131 59.175 58.100 -0.093 0.000 1.161 294 Y CB -1.667 36.844 38.460 0.087 0.000 0.997 294 Y HN 0.233 nan 8.280 nan 0.000 0.522 295 P HA -0.209 nan 4.420 nan 0.000 0.216 295 P C 1.076 178.264 177.300 -0.186 0.000 1.150 295 P CA 1.976 64.929 63.100 -0.245 0.000 0.843 295 P CB -0.021 31.438 31.700 -0.401 0.000 0.787 296 Q N -1.156 118.541 119.800 -0.172 0.000 2.123 296 Q HA -0.046 4.295 4.340 0.001 0.000 0.199 296 Q C 2.188 178.070 176.000 -0.198 0.000 0.966 296 Q CA 0.964 56.680 55.803 -0.146 0.000 0.845 296 Q CB -0.550 28.124 28.738 -0.107 0.000 0.907 296 Q HN 0.272 nan 8.270 nan 0.000 0.439 297 L N 0.547 121.555 121.223 -0.357 0.000 2.046 297 L HA -0.205 4.135 4.340 0.001 0.000 0.208 297 L C 2.200 178.713 176.870 -0.595 0.000 1.077 297 L CA 1.218 55.715 54.840 -0.573 0.000 0.747 297 L CB -0.332 41.086 42.059 -1.068 0.000 0.896 297 L HN 0.260 nan 8.230 nan 0.000 0.432 298 E N -0.144 119.743 120.200 -0.522 0.000 2.085 298 E HA -0.286 4.065 4.350 0.001 0.000 0.194 298 E C 2.267 178.848 176.600 -0.031 0.000 0.994 298 E CA 1.311 57.642 56.400 -0.115 0.000 0.801 298 E CB -0.049 29.656 29.700 0.009 0.000 0.743 298 E HN 0.308 nan 8.360 nan 0.000 0.453 299 R N 0.679 121.139 120.500 -0.067 0.000 2.073 299 R HA -0.156 4.184 4.340 0.001 0.000 0.234 299 R C 2.262 178.584 176.300 0.037 0.000 1.134 299 R CA 1.508 57.602 56.100 -0.010 0.000 0.952 299 R CB -0.306 29.977 30.300 -0.028 0.000 0.850 299 R HN 0.133 nan 8.270 nan 0.000 0.433 300 A N 0.277 123.103 122.820 0.010 0.000 1.892 300 A HA -0.188 4.132 4.320 0.001 0.000 0.218 300 A C 2.290 179.994 177.584 0.201 0.000 1.188 300 A CA 2.091 54.172 52.037 0.072 0.000 0.631 300 A CB -0.874 18.143 19.000 0.030 0.000 0.822 300 A HN 0.481 nan 8.150 nan 0.000 0.447 301 S N -1.167 114.656 115.700 0.204 0.000 2.353 301 S HA -0.189 4.281 4.470 0.001 0.000 0.222 301 S C 2.160 177.000 174.600 0.401 0.000 1.035 301 S CA 1.483 59.894 58.200 0.352 0.000 1.025 301 S CB -0.352 63.019 63.200 0.284 0.000 0.902 301 S HN 0.621 nan 8.310 nan 0.000 0.440 302 R N 0.902 121.545 120.500 0.238 0.000 2.083 302 R HA -0.106 4.234 4.340 0.001 0.000 0.237 302 R C 2.104 178.552 176.300 0.247 0.000 1.137 302 R CA 1.291 57.517 56.100 0.211 0.000 0.951 302 R CB -0.109 30.260 30.300 0.115 0.000 0.851 302 R HN 0.114 nan 8.270 nan 0.000 0.434 303 K N 0.541 121.060 120.400 0.197 0.000 2.057 303 K HA -0.117 4.203 4.320 0.001 0.000 0.207 303 K C 2.044 178.697 176.600 0.088 0.000 1.049 303 K CA 1.335 57.726 56.287 0.173 0.000 0.931 303 K CB -0.351 32.271 32.500 0.203 0.000 0.714 303 K HN 0.325 nan 8.250 nan 0.000 0.440 304 I N -0.344 120.298 120.570 0.119 0.000 2.286 304 I HA -0.220 3.950 4.170 0.001 0.000 0.245 304 I C 2.208 178.257 176.117 -0.114 0.000 1.104 304 I CA 0.633 61.853 61.300 -0.132 0.000 1.397 304 I CB -0.250 37.676 38.000 -0.123 0.000 1.072 304 I HN -0.052 nan 8.210 nan 0.000 0.417 305 F N 2.101 122.054 119.950 0.004 0.000 2.091 305 F HA -0.280 4.248 4.527 0.000 0.000 0.299 305 F C 2.435 178.238 175.800 0.005 0.000 1.103 305 F CA 1.977 60.015 58.000 0.064 0.000 1.228 305 F CB -0.139 38.984 39.000 0.205 0.000 0.984 305 F HN 0.033 nan 8.300 nan 0.000 0.477 306 E N -0.836 119.477 120.200 0.189 0.000 2.204 306 E HA -0.201 4.149 4.350 0.001 0.000 0.194 306 E C 1.974 178.531 176.600 -0.072 0.000 0.989 306 E CA 1.107 57.556 56.400 0.081 0.000 0.824 306 E CB -0.386 29.380 29.700 0.110 0.000 0.756 306 E HN 0.556 nan 8.360 nan 0.000 0.477 307 F N 1.328 121.071 119.950 -0.346 0.000 2.084 307 F HA -0.172 4.356 4.527 0.001 0.000 0.296 307 F C 1.861 177.487 175.800 -0.290 0.000 1.111 307 F CA 1.272 58.988 58.000 -0.473 0.000 1.224 307 F CB -0.201 38.182 39.000 -1.028 0.000 0.991 307 F HN -0.103 nan 8.300 nan 0.000 0.471 308 L N 0.632 121.761 121.223 -0.155 0.000 2.043 308 L HA -0.270 4.070 4.340 0.001 0.000 0.212 308 L C 2.556 179.303 176.870 -0.205 0.000 1.075 308 L CA 2.167 56.919 54.840 -0.146 0.000 0.752 308 L CB -0.968 40.978 42.059 -0.189 0.000 0.891 308 L HN 0.390 nan 8.230 nan 0.000 0.432 309 E N 0.730 120.757 120.200 -0.289 0.000 2.047 309 E HA -0.258 4.092 4.350 0.001 0.000 0.191 309 E C 2.091 178.567 176.600 -0.206 0.000 0.987 309 E CA 1.170 57.432 56.400 -0.231 0.000 0.799 309 E CB -0.436 29.153 29.700 -0.185 0.000 0.752 309 E HN 0.566 nan 8.360 nan 0.000 0.449 310 R N 0.900 121.263 120.500 -0.229 0.000 2.235 310 R HA -0.007 4.333 4.340 0.001 0.000 0.213 310 R C 1.144 177.264 176.300 -0.300 0.000 1.059 310 R CA 0.994 56.963 56.100 -0.218 0.000 0.997 310 R CB -0.012 30.187 30.300 -0.167 0.000 0.884 310 R HN 0.059 nan 8.270 nan 0.000 0.462 311 E N 1.114 121.062 120.200 -0.419 0.000 2.465 311 E HA 0.028 4.378 4.350 0.001 0.000 0.191 311 E C -0.474 175.777 176.600 -0.581 0.000 1.053 311 E CA -0.009 56.116 56.400 -0.458 0.000 0.869 311 E CB 0.020 29.452 29.700 -0.447 0.000 0.977 311 E HN 0.454 nan 8.360 nan 0.000 0.483 312 N N -0.651 117.799 118.700 -0.417 0.000 2.776 312 N HA -0.188 4.552 4.740 0.001 0.000 0.250 312 N C 0.005 175.262 175.510 -0.422 0.000 1.112 312 N CA 0.289 53.116 53.050 -0.372 0.000 0.733 312 N CB -1.718 36.567 38.487 -0.337 0.000 1.097 312 N HN 0.092 nan 8.380 nan 0.000 0.558 313 F N 0.575 120.450 119.950 -0.125 0.000 2.797 313 F HA 0.269 4.797 4.527 0.001 0.000 0.302 313 F C 1.023 176.781 175.800 -0.071 0.000 1.130 313 F CA 0.261 58.217 58.000 -0.073 0.000 1.387 313 F CB -0.089 38.874 39.000 -0.061 0.000 1.107 313 F HN 0.095 nan 8.300 nan 0.000 0.577 314 M N 1.050 120.651 119.600 0.002 0.000 3.241 314 M HA -0.160 4.320 4.480 0.001 0.000 0.169 314 M C -2.669 173.620 176.300 -0.017 0.000 1.333 314 M CA -0.237 55.048 55.300 -0.025 0.000 0.838 314 M CB -1.716 30.886 32.600 0.003 0.000 1.258 314 M HN -0.135 nan 8.290 nan 0.000 0.656 315 P HA 0.201 nan 4.420 nan 0.000 0.280 315 P C 0.285 177.603 177.300 0.031 0.000 1.244 315 P CA -0.517 62.497 63.100 -0.144 0.000 0.784 315 P CB 1.205 32.569 31.700 -0.560 0.000 0.913 316 L N 2.871 124.182 121.223 0.146 0.000 2.022 316 L HA 0.150 4.490 4.340 0.001 0.000 0.204 316 L C 1.469 178.534 176.870 0.325 0.000 1.076 316 L CA 1.718 56.676 54.840 0.196 0.000 0.749 316 L CB -0.994 41.144 42.059 0.132 0.000 0.903 316 L HN 0.523 nan 8.230 nan 0.000 0.439 317 R N -1.747 118.957 120.500 0.341 0.000 2.739 317 R HA 0.489 4.829 4.340 0.001 0.000 0.271 317 R C -0.948 175.532 176.300 0.299 0.000 1.010 317 R CA -0.353 55.911 56.100 0.273 0.000 0.897 317 R CB 2.342 32.700 30.300 0.097 0.000 1.236 317 R HN 0.203 nan 8.270 nan 0.000 0.466 318 S N 0.285 116.060 115.700 0.125 0.000 2.599 318 S HA 0.946 5.417 4.470 0.001 0.000 0.294 318 S C -0.996 173.516 174.600 -0.147 0.000 1.094 318 S CA -0.689 57.511 58.200 0.000 0.000 0.931 318 S CB 2.486 65.769 63.200 0.137 0.000 1.093 318 S HN 0.753 nan 8.310 nan 0.000 0.488 319 A N 0.857 123.530 122.820 -0.246 0.000 2.593 319 A HA 0.940 5.260 4.320 0.001 0.000 0.290 319 A C -1.482 176.002 177.584 -0.166 0.000 1.126 319 A CA -0.953 50.929 52.037 -0.258 0.000 0.695 319 A CB 1.057 19.924 19.000 -0.222 0.000 1.290 319 A HN 1.782 nan 8.150 nan 0.000 0.414 320 F N -1.359 118.550 119.950 -0.068 0.000 2.654 320 F HA 0.838 5.366 4.527 0.001 0.000 0.308 320 F C -0.932 174.890 175.800 0.036 0.000 1.108 320 F CA -0.954 57.030 58.000 -0.027 0.000 0.957 320 F CB 1.687 40.681 39.000 -0.011 0.000 1.309 320 F HN 0.534 nan 8.300 nan 0.000 0.446 321 K N 1.962 122.570 120.400 0.345 0.000 2.482 321 K HA 0.798 5.118 4.320 0.001 0.000 0.251 321 K C -1.553 175.210 176.600 0.272 0.000 0.936 321 K CA -0.851 55.607 56.287 0.284 0.000 0.791 321 K CB 2.247 34.849 32.500 0.171 0.000 1.213 321 K HN 1.078 nan 8.250 nan 0.000 0.428 322 A N 2.360 125.305 122.820 0.209 0.000 2.276 322 A HA 0.504 4.824 4.320 0.001 0.000 0.316 322 A C 0.082 177.763 177.584 0.161 0.000 1.229 322 A CA -0.372 51.725 52.037 0.100 0.000 0.851 322 A CB 0.645 19.639 19.000 -0.010 0.000 1.165 322 A HN 0.787 nan 8.150 nan 0.000 0.513 323 S N 1.528 117.329 115.700 0.168 0.000 2.721 323 S HA 0.458 4.929 4.470 0.001 0.000 0.296 323 S C 0.655 175.309 174.600 0.090 0.000 1.093 323 S CA -0.362 57.942 58.200 0.172 0.000 0.959 323 S CB 0.336 63.709 63.200 0.288 0.000 1.301 323 S HN 0.560 nan 8.310 nan 0.000 0.550 324 E N 0.811 121.058 120.200 0.077 0.000 2.038 324 E HA -0.118 4.232 4.350 0.001 0.000 0.195 324 E C 1.535 178.097 176.600 -0.062 0.000 1.000 324 E CA 1.634 58.044 56.400 0.016 0.000 0.803 324 E CB -0.191 29.521 29.700 0.020 0.000 0.750 324 E HN 0.775 nan 8.360 nan 0.000 0.448 325 E N -1.889 118.230 120.200 -0.136 0.000 2.474 325 E HA 0.133 4.483 4.350 0.001 0.000 0.215 325 E C -0.135 176.112 176.600 -0.588 0.000 0.867 325 E CA -0.197 55.968 56.400 -0.390 0.000 1.135 325 E CB 0.665 30.032 29.700 -0.556 0.000 1.147 325 E HN -0.040 nan 8.360 nan 0.000 0.534 326 F N -0.527 119.360 119.950 -0.105 0.000 2.613 326 F HA 0.452 4.980 4.527 0.001 0.000 0.342 326 F C 0.060 175.593 175.800 -0.445 0.000 1.066 326 F CA -1.026 56.786 58.000 -0.312 0.000 1.002 326 F CB 1.327 40.053 39.000 -0.458 0.000 1.319 326 F HN -0.169 nan 8.300 nan 0.000 0.495 327 C N 0.289 119.219 119.300 -0.617 0.000 2.707 327 C HA 0.694 5.155 4.460 0.001 0.000 0.313 327 C C -1.453 172.979 174.990 -0.929 0.000 1.209 327 C CA -1.110 57.482 59.018 -0.710 0.000 1.635 327 C CB 1.365 28.521 27.740 -0.972 0.000 2.206 327 C HN 0.615 nan 8.230 nan 0.000 0.485 328 Y N 1.451 121.617 120.300 -0.225 0.000 2.406 328 Y HA 0.637 5.187 4.550 0.001 0.000 0.340 328 Y C -0.242 175.674 175.900 0.027 0.000 0.975 328 Y CA -0.788 57.267 58.100 -0.075 0.000 1.056 328 Y CB 0.903 39.347 38.460 -0.026 0.000 1.210 328 Y HN 0.340 nan 8.280 nan 0.000 0.448 329 L N 5.292 126.649 121.223 0.223 0.000 2.294 329 L HA 0.504 4.845 4.340 0.001 0.000 0.283 329 L C -0.896 175.836 176.870 -0.230 0.000 1.015 329 L CA -0.518 54.363 54.840 0.069 0.000 0.831 329 L CB 0.970 43.180 42.059 0.251 0.000 1.217 329 L HN 0.507 nan 8.230 nan 0.000 0.420 330 L N 3.992 124.944 121.223 -0.452 0.000 2.307 330 L HA 0.559 4.899 4.340 0.001 0.000 0.282 330 L C -0.767 175.541 176.870 -0.936 0.000 1.051 330 L CA -0.024 54.536 54.840 -0.465 0.000 0.804 330 L CB 1.018 42.946 42.059 -0.220 0.000 1.197 330 L HN 0.329 nan 8.230 nan 0.000 0.431 331 F N 0.806 120.562 119.950 -0.324 0.000 2.599 331 F HA 0.493 5.020 4.527 0.000 0.000 0.311 331 F C -0.262 175.327 175.800 -0.351 0.000 1.076 331 F CA -0.816 56.974 58.000 -0.350 0.000 0.937 331 F CB 1.877 40.562 39.000 -0.524 0.000 1.282 331 F HN 0.319 nan 8.300 nan 0.000 0.460 332 E N 1.649 121.888 120.200 0.065 0.000 2.218 332 E HA 0.652 5.003 4.350 0.001 0.000 0.263 332 E C -1.817 174.856 176.600 0.122 0.000 0.879 332 E CA -0.380 56.069 56.400 0.083 0.000 0.762 332 E CB 1.366 31.117 29.700 0.085 0.000 1.166 332 E HN 0.755 nan 8.360 nan 0.000 0.415 333 C N 3.366 122.756 119.300 0.150 0.000 2.529 333 C HA 0.282 4.743 4.460 0.001 0.000 0.329 333 C C 1.256 176.329 174.990 0.139 0.000 1.194 333 C CA -0.510 58.596 59.018 0.146 0.000 1.779 333 C CB 1.739 29.598 27.740 0.199 0.000 2.322 333 C HN 0.913 nan 8.230 nan 0.000 0.500 334 Q N 0.414 120.284 119.800 0.116 0.000 2.378 334 Q HA 0.147 4.488 4.340 0.001 0.000 0.205 334 Q C -0.062 176.004 176.000 0.111 0.000 0.954 334 Q CA 0.917 56.779 55.803 0.099 0.000 0.901 334 Q CB 0.216 28.997 28.738 0.071 0.000 0.981 334 Q HN 0.542 nan 8.270 nan 0.000 0.483 335 I N 0.979 121.642 120.570 0.156 0.000 2.382 335 I HA 0.119 4.290 4.170 0.001 0.000 0.285 335 I C 0.447 176.702 176.117 0.231 0.000 1.007 335 I CA -0.025 61.382 61.300 0.177 0.000 1.142 335 I CB 1.542 39.651 38.000 0.182 0.000 1.289 335 I HN 0.012 nan 8.210 nan 0.000 0.453 336 K N 3.588 124.086 120.400 0.164 0.000 2.228 336 K HA 0.025 4.345 4.320 0.001 0.000 0.202 336 K C 0.464 177.153 176.600 0.149 0.000 1.051 336 K CA 0.755 57.124 56.287 0.137 0.000 0.960 336 K CB 0.573 33.134 32.500 0.101 0.000 0.743 336 K HN 0.586 nan 8.250 nan 0.000 0.458 337 E N 0.474 120.782 120.200 0.180 0.000 2.347 337 E HA 0.301 4.651 4.350 0.001 0.000 0.285 337 E C -1.866 174.834 176.600 0.167 0.000 0.925 337 E CA -0.467 56.045 56.400 0.186 0.000 0.779 337 E CB 1.477 31.246 29.700 0.115 0.000 1.233 337 E HN 0.017 nan 8.360 nan 0.000 0.414 338 I N 2.542 123.225 120.570 0.187 0.000 2.797 338 I HA 0.456 4.626 4.170 0.001 0.000 0.307 338 I C -0.191 175.967 176.117 0.068 0.000 1.033 338 I CA -0.613 60.729 61.300 0.070 0.000 1.071 338 I CB 1.843 39.801 38.000 -0.070 0.000 1.255 338 I HN 0.709 nan 8.210 nan 0.000 0.445 339 S N 4.792 120.513 115.700 0.035 0.000 2.576 339 S HA 0.179 4.650 4.470 0.001 0.000 0.276 339 S C 1.025 175.664 174.600 0.064 0.000 1.339 339 S CA -0.235 57.990 58.200 0.041 0.000 1.039 339 S CB 1.309 64.522 63.200 0.021 0.000 0.902 339 S HN 0.830 nan 8.310 nan 0.000 0.516 340 R N 1.927 122.466 120.500 0.065 0.000 2.081 340 R HA 0.035 4.375 4.340 0.001 0.000 0.235 340 R C 0.723 177.102 176.300 0.132 0.000 1.131 340 R CA 1.084 57.238 56.100 0.089 0.000 0.960 340 R CB -0.555 29.792 30.300 0.079 0.000 0.856 340 R HN 0.596 nan 8.270 nan 0.000 0.436 341 V N 1.451 121.410 119.914 0.076 0.000 2.775 341 V HA 0.318 4.439 4.120 0.001 0.000 0.299 341 V C -0.576 175.641 176.094 0.205 0.000 1.062 341 V CA -0.064 62.276 62.300 0.067 0.000 1.063 341 V CB 0.877 32.608 31.823 -0.152 0.000 0.994 341 V HN 0.309 nan 8.190 nan 0.000 0.483 342 F N 4.279 124.306 119.950 0.128 0.000 2.662 342 F HA 0.725 5.253 4.527 0.000 0.000 0.312 342 F C -0.588 175.346 175.800 0.223 0.000 1.113 342 F CA -1.500 56.580 58.000 0.133 0.000 0.951 342 F CB 1.385 40.411 39.000 0.043 0.000 1.344 342 F HN 0.276 nan 8.300 nan 0.000 0.462 343 R N 1.803 122.487 120.500 0.307 0.000 2.357 343 R HA 0.534 4.874 4.340 0.001 0.000 0.296 343 R C -0.739 175.753 176.300 0.319 0.000 1.052 343 R CA -0.755 55.466 56.100 0.201 0.000 0.988 343 R CB 1.270 31.705 30.300 0.226 0.000 1.025 343 R HN 0.784 nan 8.270 nan 0.000 0.469 344 R N 3.474 124.093 120.500 0.199 0.000 2.628 344 R HA 0.275 4.615 4.340 0.001 0.000 0.288 344 R C -0.942 175.442 176.300 0.141 0.000 0.980 344 R CA -0.698 55.546 56.100 0.241 0.000 0.891 344 R CB 1.559 31.972 30.300 0.190 0.000 1.188 344 R HN 0.588 nan 8.270 nan 0.000 0.450 345 M N 3.866 123.395 119.600 -0.117 0.000 2.180 345 M HA 0.433 4.913 4.480 0.001 0.000 0.358 345 M C -0.472 175.380 176.300 -0.747 0.000 1.233 345 M CA 0.116 54.924 55.300 -0.820 0.000 1.114 345 M CB 1.370 33.333 32.600 -1.061 0.000 1.594 345 M HN 0.725 nan 8.290 nan 0.000 0.467 346 G N 3.978 112.121 108.800 -1.095 0.000 2.753 346 G HA2 0.746 4.706 3.960 0.001 0.000 0.285 346 G HA3 0.746 4.706 3.960 0.001 0.000 0.285 346 G C -2.994 171.327 174.900 -0.965 0.000 1.344 346 G CA -1.359 42.764 45.100 -1.628 0.000 1.050 346 G HN 0.565 nan 8.290 nan 0.000 0.532 347 P HA 0.145 nan 4.420 nan 0.000 0.275 347 P C -0.491 176.704 177.300 -0.176 0.000 1.266 347 P CA -0.292 62.580 63.100 -0.380 0.000 0.793 347 P CB 0.697 32.224 31.700 -0.288 0.000 1.074 348 Q N -0.344 119.393 119.800 -0.105 0.000 2.443 348 Q HA 0.104 4.444 4.340 0.001 0.000 0.232 348 Q C 1.093 177.151 176.000 0.097 0.000 1.026 348 Q CA -0.081 55.722 55.803 -0.001 0.000 0.924 348 Q CB 0.060 28.752 28.738 -0.076 0.000 1.256 348 Q HN 0.508 nan 8.270 nan 0.000 0.519 349 F N -0.269 119.752 119.950 0.118 0.000 2.502 349 F HA 0.003 4.530 4.527 0.001 0.000 0.298 349 F C 0.996 176.876 175.800 0.135 0.000 1.111 349 F CA 0.777 58.901 58.000 0.208 0.000 1.445 349 F CB 0.028 39.117 39.000 0.147 0.000 1.081 349 F HN 0.468 nan 8.300 nan 0.000 0.558 350 E N -0.068 119.758 120.200 -0.623 0.000 2.371 350 E HA -0.082 4.269 4.350 0.001 0.000 0.194 350 E C 0.324 176.809 176.600 -0.192 0.000 1.012 350 E CA 0.537 56.639 56.400 -0.496 0.000 0.860 350 E CB -0.220 29.113 29.700 -0.612 0.000 0.811 350 E HN 0.231 nan 8.360 nan 0.000 0.502 351 D N 1.112 121.432 120.400 -0.133 0.000 2.551 351 D HA -0.024 4.616 4.640 0.001 0.000 0.223 351 D C 0.806 177.075 176.300 -0.052 0.000 1.144 351 D CA 0.056 54.003 54.000 -0.088 0.000 1.025 351 D CB 0.042 40.784 40.800 -0.096 0.000 1.085 351 D HN 0.129 nan 8.370 nan 0.000 0.506 352 E N 1.870 122.050 120.200 -0.035 0.000 2.086 352 E HA -0.345 4.005 4.350 0.001 0.000 0.205 352 E C 1.675 178.253 176.600 -0.036 0.000 1.027 352 E CA 1.221 57.610 56.400 -0.018 0.000 0.830 352 E CB 0.248 29.944 29.700 -0.007 0.000 0.751 352 E HN 0.144 nan 8.360 nan 0.000 0.456 353 R N 0.830 121.307 120.500 -0.039 0.000 2.097 353 R HA -0.154 4.187 4.340 0.001 0.000 0.236 353 R C 1.905 178.177 176.300 -0.047 0.000 1.135 353 R CA 2.328 58.404 56.100 -0.040 0.000 0.934 353 R CB -0.679 29.598 30.300 -0.038 0.000 0.846 353 R HN 0.230 nan 8.270 nan 0.000 0.431 354 N N -0.565 118.101 118.700 -0.056 0.000 2.300 354 N HA -0.061 4.680 4.740 0.001 0.000 0.179 354 N C 1.688 177.167 175.510 -0.052 0.000 1.016 354 N CA 1.139 54.154 53.050 -0.058 0.000 0.876 354 N CB -0.147 38.290 38.487 -0.083 0.000 0.979 354 N HN 0.049 nan 8.380 nan 0.000 0.432 355 V N 1.568 121.431 119.914 -0.086 0.000 2.287 355 V HA -0.226 3.895 4.120 0.001 0.000 0.248 355 V C 2.030 178.030 176.094 -0.157 0.000 1.053 355 V CA 1.624 63.834 62.300 -0.150 0.000 1.027 355 V CB -0.293 31.399 31.823 -0.218 0.000 0.646 355 V HN 0.312 nan 8.190 nan 0.000 0.447 356 K N -0.592 119.731 120.400 -0.129 0.000 2.288 356 K HA -0.107 4.213 4.320 0.001 0.000 0.201 356 K C 2.209 178.754 176.600 -0.092 0.000 1.048 356 K CA 0.810 57.022 56.287 -0.125 0.000 0.956 356 K CB -0.104 32.345 32.500 -0.086 0.000 0.746 356 K HN 0.370 nan 8.250 nan 0.000 0.461 357 K N -0.023 120.346 120.400 -0.052 0.000 2.116 357 K HA -0.083 4.237 4.320 0.001 0.000 0.203 357 K C 1.892 178.489 176.600 -0.004 0.000 1.052 357 K CA 0.861 57.132 56.287 -0.028 0.000 0.952 357 K CB -0.063 32.431 32.500 -0.011 0.000 0.729 357 K HN 0.043 nan 8.250 nan 0.000 0.446 358 F N 2.239 122.086 119.950 -0.172 0.000 2.084 358 F HA -0.142 4.385 4.527 0.001 0.000 0.296 358 F C 1.456 177.141 175.800 -0.192 0.000 1.111 358 F CA 1.249 59.140 58.000 -0.181 0.000 1.224 358 F CB -0.259 38.605 39.000 -0.226 0.000 0.991 358 F HN -0.105 nan 8.300 nan 0.000 0.471 359 L N -0.639 120.337 121.223 -0.412 0.000 2.627 359 L HA 0.296 4.636 4.340 0.001 0.000 0.232 359 L C 2.056 178.749 176.870 -0.295 0.000 1.150 359 L CA 0.976 55.516 54.840 -0.499 0.000 0.917 359 L CB -1.624 40.117 42.059 -0.530 0.000 1.104 359 L HN 0.164 nan 8.230 nan 0.000 0.445 360 S N 0.393 115.963 115.700 -0.218 0.000 2.368 360 S HA -0.055 4.416 4.470 0.001 0.000 0.225 360 S C 1.321 175.837 174.600 -0.141 0.000 1.030 360 S CA 0.254 58.368 58.200 -0.144 0.000 0.999 360 S CB -0.157 62.984 63.200 -0.099 0.000 0.844 360 S HN 0.502 nan 8.310 nan 0.000 0.459 361 R N 3.036 123.432 120.500 -0.174 0.000 2.583 361 R HA 0.034 4.375 4.340 0.001 0.000 0.274 361 R C 0.103 176.327 176.300 -0.126 0.000 0.998 361 R CA 0.049 56.064 56.100 -0.140 0.000 1.081 361 R CB -1.009 29.195 30.300 -0.160 0.000 0.940 361 R HN 0.617 nan 8.270 nan 0.000 0.413 362 N N 2.998 121.649 118.700 -0.083 0.000 2.442 362 N HA 0.061 4.802 4.740 0.001 0.000 0.265 362 N C -0.741 174.734 175.510 -0.058 0.000 1.138 362 N CA -0.141 52.869 53.050 -0.067 0.000 0.956 362 N CB 0.587 39.044 38.487 -0.050 0.000 1.067 362 N HN 0.330 nan 8.380 nan 0.000 0.474 363 R N 2.085 122.551 120.500 -0.055 0.000 2.837 363 R HA 0.411 4.751 4.340 0.001 0.000 0.271 363 R C 0.281 176.542 176.300 -0.065 0.000 0.993 363 R CA -0.761 55.322 56.100 -0.030 0.000 0.931 363 R CB 1.302 31.605 30.300 0.005 0.000 1.206 363 R HN 0.518 nan 8.270 nan 0.000 0.474 364 A N 1.476 124.230 122.820 -0.111 0.000 1.968 364 A HA 0.104 4.425 4.320 0.001 0.000 0.217 364 A C 0.097 177.335 177.584 -0.577 0.000 1.169 364 A CA 1.057 52.855 52.037 -0.399 0.000 0.638 364 A CB -0.092 18.558 19.000 -0.584 0.000 0.812 364 A HN 0.439 nan 8.150 nan 0.000 0.446 365 F N -1.319 118.671 119.950 0.066 0.000 2.495 365 F HA 0.579 5.106 4.527 0.001 0.000 0.327 365 F C 0.356 176.270 175.800 0.190 0.000 1.103 365 F CA -1.233 56.840 58.000 0.122 0.000 0.949 365 F CB 1.204 40.287 39.000 0.138 0.000 1.142 365 F HN -0.048 nan 8.300 nan 0.000 0.457 366 R N 4.559 125.278 120.500 0.365 0.000 2.486 366 R HA 0.107 4.448 4.340 0.001 0.000 0.303 366 R C -2.460 174.105 176.300 0.442 0.000 0.958 366 R CA -0.772 55.518 56.100 0.317 0.000 1.077 366 R CB -0.134 30.326 30.300 0.267 0.000 0.921 366 R HN 0.270 nan 8.270 nan 0.000 0.406 367 P HA 0.192 nan 4.420 nan 0.000 0.274 367 P C -1.089 176.516 177.300 0.507 0.000 1.256 367 P CA -0.191 63.141 63.100 0.387 0.000 0.795 367 P CB 0.419 32.277 31.700 0.263 0.000 1.038 368 F N -1.986 118.125 119.950 0.269 0.000 2.626 368 F HA 0.640 5.168 4.527 0.001 0.000 0.311 368 F C -0.970 174.718 175.800 -0.186 0.000 1.088 368 F CA -1.552 56.447 58.000 -0.001 0.000 0.949 368 F CB 0.753 39.749 39.000 -0.008 0.000 1.322 368 F HN 0.019 nan 8.300 nan 0.000 0.461 369 I N 2.012 122.385 120.570 -0.328 0.000 2.325 369 I HA 0.379 4.550 4.170 0.001 0.000 0.291 369 I C -0.468 175.670 176.117 0.034 0.000 1.019 369 I CA -0.238 60.823 61.300 -0.399 0.000 1.302 369 I CB 1.424 39.043 38.000 -0.636 0.000 1.401 369 I HN 0.754 nan 8.210 nan 0.000 0.485 370 E N 6.134 126.431 120.200 0.162 0.000 2.293 370 E HA 0.258 4.609 4.350 0.001 0.000 0.270 370 E C -0.550 176.151 176.600 0.168 0.000 0.879 370 E CA -0.690 55.787 56.400 0.128 0.000 0.756 370 E CB 1.145 30.846 29.700 0.003 0.000 1.208 370 E HN 0.543 nan 8.360 nan 0.000 0.428 371 N N 2.554 121.302 118.700 0.080 0.000 2.702 371 N HA -0.247 4.494 4.740 0.001 0.000 0.255 371 N C 0.591 176.180 175.510 0.132 0.000 0.983 371 N CA 1.576 54.683 53.050 0.096 0.000 0.768 371 N CB -1.305 37.252 38.487 0.116 0.000 0.918 371 N HN 0.936 nan 8.380 nan 0.000 0.540 372 G N -1.045 107.805 108.800 0.082 0.000 2.168 372 G HA2 -0.388 3.573 3.960 0.001 0.000 0.263 372 G HA3 -0.388 3.573 3.960 0.001 0.000 0.263 372 G C 0.155 175.204 174.900 0.248 0.000 0.977 372 G CA 1.153 46.344 45.100 0.152 0.000 0.659 372 G HN 0.950 nan 8.290 nan 0.000 0.533 373 R N -1.819 118.780 120.500 0.165 0.000 2.888 373 R HA 0.712 5.052 4.340 0.001 0.000 0.266 373 R C -0.435 175.860 176.300 -0.008 0.000 1.020 373 R CA -1.345 54.804 56.100 0.081 0.000 0.963 373 R CB 1.019 31.289 30.300 -0.050 0.000 1.197 373 R HN 0.087 nan 8.270 nan 0.000 0.481 374 W N 0.491 121.672 121.300 -0.199 0.000 2.215 374 W HA 0.424 5.085 4.660 0.001 0.000 0.342 374 W C -0.733 175.483 176.519 -0.504 0.000 1.237 374 W CA 0.428 57.683 57.345 -0.150 0.000 1.283 374 W CB 0.852 30.328 29.460 0.028 0.000 1.131 374 W HN 0.444 nan 8.180 nan 0.000 0.606 375 W N 0.714 121.939 121.300 -0.126 0.000 3.217 375 W HA 0.625 5.286 4.660 0.001 0.000 0.323 375 W C -0.668 175.618 176.519 -0.388 0.000 1.216 375 W CA -1.063 56.018 57.345 -0.440 0.000 1.194 375 W CB 0.983 29.776 29.460 -1.112 0.000 1.397 375 W HN 0.434 nan 8.180 nan 0.000 0.537 376 A N 1.897 124.740 122.820 0.038 0.000 2.380 376 A HA 0.903 5.223 4.320 0.001 0.000 0.315 376 A C -1.746 175.748 177.584 -0.150 0.000 1.101 376 A CA -0.740 51.275 52.037 -0.037 0.000 0.771 376 A CB 0.786 19.780 19.000 -0.010 0.000 1.287 376 A HN 0.493 nan 8.150 nan 0.000 0.436 377 F N 0.723 120.727 119.950 0.090 0.000 2.404 377 F HA 0.554 5.081 4.527 0.000 0.000 0.345 377 F C 0.712 176.404 175.800 -0.180 0.000 1.110 377 F CA 0.159 58.131 58.000 -0.047 0.000 1.130 377 F CB 1.622 40.613 39.000 -0.016 0.000 1.129 377 F HN 0.648 nan 8.300 nan 0.000 0.500 378 E N 1.535 121.506 120.200 -0.381 0.000 2.339 378 E HA 0.538 4.888 4.350 0.001 0.000 0.262 378 E C -0.976 175.449 176.600 -0.292 0.000 0.934 378 E CA -0.820 55.333 56.400 -0.412 0.000 0.802 378 E CB 1.256 30.617 29.700 -0.565 0.000 1.275 378 E HN 0.285 nan 8.360 nan 0.000 0.427 379 M N 1.342 120.960 119.600 0.030 0.000 2.238 379 M HA 0.421 4.902 4.480 0.001 0.000 0.350 379 M C -0.057 176.432 176.300 0.315 0.000 1.138 379 M CA -0.268 55.136 55.300 0.173 0.000 1.040 379 M CB 1.022 33.699 32.600 0.130 0.000 1.639 379 M HN 0.371 nan 8.290 nan 0.000 0.451 380 R N 1.228 121.895 120.500 0.279 0.000 2.679 380 R HA 0.180 4.520 4.340 0.001 0.000 0.269 380 R C 0.809 177.055 176.300 -0.090 0.000 1.076 380 R CA -0.112 55.980 56.100 -0.012 0.000 1.160 380 R CB 1.066 31.264 30.300 -0.170 0.000 1.054 380 R HN 0.569 nan 8.270 nan 0.000 0.507 381 K N 1.026 121.251 120.400 -0.292 0.000 2.353 381 K HA 0.122 4.443 4.320 0.001 0.000 0.195 381 K C -0.627 175.995 176.600 0.036 0.000 1.031 381 K CA 0.318 56.557 56.287 -0.080 0.000 1.079 381 K CB 0.445 32.962 32.500 0.028 0.000 0.857 381 K HN 0.348 nan 8.250 nan 0.000 0.535 382 F N -1.984 118.056 119.950 0.149 0.000 2.608 382 F HA 0.295 4.822 4.527 0.001 0.000 0.309 382 F C 0.494 176.408 175.800 0.191 0.000 1.103 382 F CA -1.147 56.944 58.000 0.151 0.000 0.954 382 F CB 1.027 40.125 39.000 0.162 0.000 1.267 382 F HN -0.183 nan 8.300 nan 0.000 0.444 383 T N -2.879 111.898 114.554 0.371 0.000 2.975 383 T HA 0.271 4.622 4.350 0.001 0.000 0.257 383 T C 0.386 175.326 174.700 0.400 0.000 1.003 383 T CA 0.640 62.937 62.100 0.328 0.000 0.932 383 T CB -0.201 68.777 68.868 0.183 0.000 1.087 383 T HN 0.964 nan 8.240 nan 0.000 0.512 384 T N -0.444 114.266 114.554 0.260 0.000 2.908 384 T HA 0.576 4.927 4.350 0.001 0.000 0.290 384 T C -2.337 172.070 174.700 -0.488 0.000 1.034 384 T CA -1.987 60.125 62.100 0.019 0.000 1.010 384 T CB 2.309 71.147 68.868 -0.050 0.000 1.068 384 T HN -0.265 nan 8.240 nan 0.000 0.481 385 P HA -0.018 nan 4.420 nan 0.000 0.220 385 P C 0.930 177.677 177.300 -0.921 0.000 1.148 385 P CA 0.986 63.284 63.100 -1.337 0.000 0.803 385 P CB 0.182 31.396 31.700 -0.809 0.000 0.782 386 E N 0.495 120.152 120.200 -0.906 0.000 2.077 386 E HA -0.177 4.173 4.350 0.001 0.000 0.193 386 E C 2.046 178.376 176.600 -0.451 0.000 0.989 386 E CA 1.247 57.132 56.400 -0.859 0.000 0.800 386 E CB -0.644 28.680 29.700 -0.626 0.000 0.746 386 E HN 0.439 nan 8.360 nan 0.000 0.452 387 E N -0.034 119.979 120.200 -0.313 0.000 2.072 387 E HA -0.106 4.244 4.350 0.001 0.000 0.191 387 E C 2.262 178.696 176.600 -0.275 0.000 0.985 387 E CA 0.856 57.166 56.400 -0.151 0.000 0.801 387 E CB -0.329 29.390 29.700 0.031 0.000 0.750 387 E HN 0.363 nan 8.360 nan 0.000 0.452 388 G N 1.465 109.964 108.800 -0.502 0.000 2.529 388 G HA2 -0.316 3.644 3.960 0.001 0.000 0.219 388 G HA3 -0.316 3.644 3.960 0.001 0.000 0.219 388 G C 1.840 176.421 174.900 -0.532 0.000 1.177 388 G CA 1.745 46.322 45.100 -0.872 0.000 0.773 388 G HN 0.306 nan 8.290 nan 0.000 0.573 389 V N -1.666 118.010 119.914 -0.397 0.000 2.719 389 V HA 0.149 4.269 4.120 0.001 0.000 0.252 389 V C 2.456 178.430 176.094 -0.199 0.000 1.065 389 V CA 1.721 63.810 62.300 -0.352 0.000 1.086 389 V CB -0.458 31.247 31.823 -0.197 0.000 0.700 389 V HN 0.309 nan 8.190 nan 0.000 0.467 390 R N 0.801 121.245 120.500 -0.094 0.000 2.105 390 R HA -0.174 4.166 4.340 0.001 0.000 0.239 390 R C 2.568 178.925 176.300 0.095 0.000 1.135 390 R CA 1.938 58.108 56.100 0.118 0.000 0.967 390 R CB -0.426 29.906 30.300 0.053 0.000 0.861 390 R HN 0.643 nan 8.270 nan 0.000 0.442 391 S N -0.510 115.165 115.700 -0.042 0.000 2.345 391 S HA -0.177 4.293 4.470 0.001 0.000 0.219 391 S C 1.886 176.462 174.600 -0.040 0.000 1.031 391 S CA 0.964 59.168 58.200 0.008 0.000 0.984 391 S CB -0.529 62.700 63.200 0.048 0.000 0.874 391 S HN 0.515 nan 8.310 nan 0.000 0.451 392 Y N 2.201 122.249 120.300 -0.420 0.000 2.097 392 Y HA -0.073 4.478 4.550 0.001 0.000 0.282 392 Y C 2.482 178.210 175.900 -0.288 0.000 1.152 392 Y CA 1.647 59.405 58.100 -0.571 0.000 1.136 392 Y CB -0.999 36.562 38.460 -1.497 0.000 0.975 392 Y HN 0.336 nan 8.280 nan 0.000 0.498 393 A N -1.034 121.558 122.820 -0.380 0.000 1.969 393 A HA -0.122 4.198 4.320 0.001 0.000 0.218 393 A C 2.360 179.815 177.584 -0.215 0.000 1.169 393 A CA 1.717 53.468 52.037 -0.476 0.000 0.635 393 A CB -0.985 17.495 19.000 -0.866 0.000 0.810 393 A HN 0.497 nan 8.150 nan 0.000 0.445 394 S N -0.278 115.440 115.700 0.030 0.000 2.382 394 S HA -0.131 4.340 4.470 0.001 0.000 0.228 394 S C 2.041 176.757 174.600 0.193 0.000 1.027 394 S CA 1.937 60.269 58.200 0.220 0.000 0.991 394 S CB -0.419 62.913 63.200 0.220 0.000 0.823 394 S HN 0.898 nan 8.310 nan 0.000 0.469 395 T N -1.894 112.688 114.554 0.046 0.000 3.014 395 T HA 0.159 4.510 4.350 0.001 0.000 0.250 395 T C 0.841 175.321 174.700 -0.367 0.000 1.060 395 T CA 0.184 62.249 62.100 -0.058 0.000 1.040 395 T CB -0.145 68.705 68.868 -0.030 0.000 0.971 395 T HN 0.474 nan 8.240 nan 0.000 0.497 396 H N 0.149 118.938 119.070 -0.468 0.000 2.567 396 H HA 0.185 4.742 4.556 0.001 0.000 0.267 396 H C 1.371 176.356 175.328 -0.573 0.000 1.148 396 H CA -0.459 55.209 56.048 -0.633 0.000 1.031 396 H CB 0.036 29.198 29.762 -1.001 0.000 1.691 396 H HN 0.561 nan 8.280 nan 0.000 0.588 397 W N 0.587 121.745 121.300 -0.238 0.000 2.308 397 W HA -0.254 4.407 4.660 0.001 0.000 0.301 397 W C 1.427 177.862 176.519 -0.139 0.000 1.220 397 W CA 0.763 57.974 57.345 -0.223 0.000 1.240 397 W CB -1.076 28.267 29.460 -0.196 0.000 1.142 397 W HN 0.251 nan 8.180 nan 0.000 0.521 398 H N 1.076 119.424 119.070 -1.204 0.000 2.387 398 H HA -0.147 4.409 4.556 0.001 0.000 0.299 398 H C 1.941 177.061 175.328 -0.348 0.000 1.099 398 H CA 2.524 58.020 56.048 -0.920 0.000 1.315 398 H CB -0.641 28.412 29.762 -1.181 0.000 1.380 398 H HN 0.108 nan 8.280 nan 0.000 0.513 399 T N 0.414 114.899 114.554 -0.115 0.000 3.098 399 T HA 0.010 4.361 4.350 0.001 0.000 0.266 399 T C 1.670 176.369 174.700 -0.002 0.000 1.145 399 T CA 0.109 62.200 62.100 -0.015 0.000 1.092 399 T CB -0.295 68.577 68.868 0.007 0.000 0.908 399 T HN 0.244 nan 8.240 nan 0.000 0.526 400 L N 1.215 122.418 121.223 -0.034 0.000 2.688 400 L HA 0.370 4.710 4.340 0.001 0.000 0.234 400 L C 1.014 177.853 176.870 -0.051 0.000 1.192 400 L CA -0.270 54.546 54.840 -0.040 0.000 0.984 400 L CB -0.729 41.275 42.059 -0.093 0.000 1.232 400 L HN 0.365 nan 8.230 nan 0.000 0.465 401 G N 0.716 109.497 108.800 -0.031 0.000 2.784 401 G HA2 -0.215 3.746 3.960 0.001 0.000 0.686 401 G HA3 -0.215 3.746 3.960 0.001 0.000 0.686 401 G C 0.172 175.043 174.900 -0.048 0.000 1.156 401 G CA -0.072 45.003 45.100 -0.042 0.000 0.757 401 G HN 0.234 nan 8.290 nan 0.000 0.642 402 K N 0.691 121.067 120.400 -0.040 0.000 2.032 402 K HA -0.116 4.204 4.320 0.001 0.000 0.209 402 K C 2.171 178.741 176.600 -0.051 0.000 1.048 402 K CA 2.090 58.345 56.287 -0.054 0.000 0.927 402 K CB -0.167 32.318 32.500 -0.025 0.000 0.712 402 K HN 0.473 nan 8.250 nan 0.000 0.441 403 N N 0.432 119.107 118.700 -0.041 0.000 2.197 403 N HA -0.120 4.620 4.740 0.001 0.000 0.184 403 N C 1.960 177.446 175.510 -0.040 0.000 1.030 403 N CA 1.536 54.565 53.050 -0.034 0.000 0.851 403 N CB -0.467 38.008 38.487 -0.020 0.000 1.003 403 N HN 0.270 nan 8.380 nan 0.000 0.430 404 V N 0.114 119.999 119.914 -0.048 0.000 2.490 404 V HA -0.023 4.097 4.120 0.001 0.000 0.250 404 V C 2.119 178.072 176.094 -0.236 0.000 1.061 404 V CA 2.263 64.489 62.300 -0.125 0.000 1.064 404 V CB -1.335 30.416 31.823 -0.120 0.000 0.670 404 V HN 0.197 nan 8.190 nan 0.000 0.461 405 G N -0.247 108.484 108.800 -0.115 0.000 2.421 405 G HA2 -0.233 3.728 3.960 0.001 0.000 0.216 405 G HA3 -0.233 3.728 3.960 0.001 0.000 0.216 405 G C 1.457 176.377 174.900 0.034 0.000 1.171 405 G CA 0.929 46.035 45.100 0.010 0.000 0.775 405 G HN 0.615 nan 8.290 nan 0.000 0.543 406 E N 0.040 120.208 120.200 -0.054 0.000 2.153 406 E HA -0.094 4.256 4.350 0.001 0.000 0.194 406 E C 2.661 179.137 176.600 -0.207 0.000 0.988 406 E CA 0.918 57.200 56.400 -0.197 0.000 0.811 406 E CB -0.064 29.562 29.700 -0.124 0.000 0.746 406 E HN 0.408 nan 8.360 nan 0.000 0.466 407 S N 0.499 116.120 115.700 -0.132 0.000 2.335 407 S HA -0.094 4.377 4.470 0.001 0.000 0.217 407 S C 1.986 176.533 174.600 -0.089 0.000 1.032 407 S CA 0.623 58.793 58.200 -0.050 0.000 0.985 407 S CB -0.134 63.122 63.200 0.093 0.000 0.896 407 S HN 0.160 nan 8.310 nan 0.000 0.445 408 I N 1.680 122.079 120.570 -0.285 0.000 2.185 408 I HA -0.263 3.907 4.170 0.001 0.000 0.246 408 I C 2.782 178.844 176.117 -0.090 0.000 1.088 408 I CA 1.675 62.817 61.300 -0.263 0.000 1.347 408 I CB -0.416 37.290 38.000 -0.491 0.000 1.041 408 I HN 0.346 nan 8.210 nan 0.000 0.415 409 R N 1.237 121.556 120.500 -0.302 0.000 2.083 409 R HA -0.225 4.115 4.340 0.001 0.000 0.237 409 R C 2.090 178.223 176.300 -0.279 0.000 1.137 409 R CA 1.970 57.738 56.100 -0.554 0.000 0.951 409 R CB -0.212 29.255 30.300 -1.389 0.000 0.851 409 R HN 0.429 nan 8.270 nan 0.000 0.434 410 E N -1.414 118.671 120.200 -0.191 0.000 2.153 410 E HA -0.156 4.194 4.350 0.001 0.000 0.194 410 E C -0.282 176.379 176.600 0.103 0.000 0.988 410 E CA 1.131 57.495 56.400 -0.060 0.000 0.811 410 E CB 0.093 29.778 29.700 -0.024 0.000 0.746 410 E HN 0.349 nan 8.360 nan 0.000 0.466 411 Y N -0.848 119.453 120.300 0.002 0.000 2.527 411 Y HA 0.308 4.859 4.550 0.001 0.000 0.328 411 Y C -1.941 174.084 175.900 0.207 0.000 1.216 411 Y CA -1.447 56.675 58.100 0.036 0.000 1.152 411 Y CB 0.534 39.016 38.460 0.037 0.000 1.342 411 Y HN -0.053 nan 8.280 nan 0.000 0.465 412 F N 2.736 122.116 119.950 -0.950 0.000 2.773 412 F HA 0.799 5.327 4.527 0.001 0.000 0.314 412 F C -2.009 173.366 175.800 -0.708 0.000 1.160 412 F CA -0.649 56.766 58.000 -0.974 0.000 0.920 412 F CB 1.578 40.371 39.000 -0.346 0.000 1.323 412 F HN 0.633 nan 8.300 nan 0.000 0.457 413 E N 1.155 121.184 120.200 -0.285 0.000 2.413 413 E HA 0.675 5.026 4.350 0.001 0.000 0.277 413 E C -1.997 174.687 176.600 0.140 0.000 0.958 413 E CA -1.052 55.246 56.400 -0.170 0.000 0.779 413 E CB 3.062 32.695 29.700 -0.113 0.000 1.278 413 E HN 0.721 nan 8.360 nan 0.000 0.456 414 I N 2.019 122.657 120.570 0.112 0.000 2.354 414 I HA 0.332 4.503 4.170 0.001 0.000 0.292 414 I C -0.642 175.536 176.117 0.102 0.000 0.989 414 I CA -0.977 60.425 61.300 0.171 0.000 1.188 414 I CB 1.209 39.284 38.000 0.125 0.000 1.342 414 I HN 0.402 nan 8.210 nan 0.000 0.457 415 I N 5.350 126.008 120.570 0.147 0.000 2.474 415 I HA 0.565 4.735 4.170 0.001 0.000 0.294 415 I C 0.083 176.258 176.117 0.095 0.000 1.005 415 I CA -0.324 61.025 61.300 0.083 0.000 1.113 415 I CB 1.539 39.585 38.000 0.077 0.000 1.289 415 I HN 0.639 nan 8.210 nan 0.000 0.436 416 S N 2.434 118.136 115.700 0.003 0.000 2.656 416 S HA 0.902 5.373 4.470 0.001 0.000 0.273 416 S C 0.002 174.479 174.600 -0.205 0.000 1.168 416 S CA -0.144 58.039 58.200 -0.028 0.000 0.817 416 S CB 1.722 64.958 63.200 0.060 0.000 1.146 416 S HN 1.474 nan 8.310 nan 0.000 0.475 417 G N 1.226 109.838 108.800 -0.313 0.000 2.564 417 G HA2 -0.287 3.674 3.960 0.001 0.000 0.273 417 G HA3 -0.287 3.674 3.960 0.001 0.000 0.273 417 G C 0.462 174.775 174.900 -0.979 0.000 1.242 417 G CA 0.677 45.491 45.100 -0.476 0.000 0.951 417 G HN 0.942 nan 8.290 nan 0.000 0.564 418 E N -0.050 119.846 120.200 -0.507 0.000 2.153 418 E HA -0.121 4.230 4.350 0.001 0.000 0.194 418 E C 2.496 178.941 176.600 -0.258 0.000 0.988 418 E CA 1.090 57.287 56.400 -0.338 0.000 0.811 418 E CB -0.126 29.567 29.700 -0.011 0.000 0.746 418 E HN 0.456 nan 8.360 nan 0.000 0.466 419 K N 0.703 120.979 120.400 -0.207 0.000 2.103 419 K HA -0.193 4.127 4.320 0.001 0.000 0.207 419 K C 2.144 178.666 176.600 -0.130 0.000 1.048 419 K CA 0.770 56.986 56.287 -0.117 0.000 0.930 419 K CB -0.061 32.393 32.500 -0.077 0.000 0.716 419 K HN 0.078 nan 8.250 nan 0.000 0.444 420 L N 0.474 121.543 121.223 -0.258 0.000 2.156 420 L HA -0.040 4.300 4.340 0.001 0.000 0.208 420 L C 1.628 178.459 176.870 -0.065 0.000 1.095 420 L CA 1.467 56.194 54.840 -0.188 0.000 0.770 420 L CB -0.346 41.580 42.059 -0.222 0.000 0.914 420 L HN 0.135 nan 8.230 nan 0.000 0.439 421 F N 0.010 119.959 119.950 -0.002 0.000 2.407 421 F HA -0.099 4.429 4.527 0.001 0.000 0.299 421 F C 2.111 177.898 175.800 -0.023 0.000 1.097 421 F CA 0.572 58.562 58.000 -0.016 0.000 1.422 421 F CB -0.294 38.705 39.000 -0.003 0.000 1.067 421 F HN 0.180 nan 8.300 nan 0.000 0.539 422 K N 0.890 121.362 120.400 0.119 0.000 2.444 422 K HA 0.035 4.355 4.320 0.001 0.000 0.193 422 K C 0.187 176.807 176.600 0.032 0.000 1.024 422 K CA 0.200 56.529 56.287 0.070 0.000 1.077 422 K CB 0.058 32.589 32.500 0.051 0.000 0.833 422 K HN 0.028 nan 8.250 nan 0.000 0.517 423 E N 2.343 122.545 120.200 0.003 0.000 2.313 423 E HA 0.140 4.491 4.350 0.001 0.000 0.272 423 E C -2.181 174.337 176.600 -0.138 0.000 1.038 423 E CA -2.955 53.404 56.400 -0.068 0.000 0.863 423 E CB 0.894 30.520 29.700 -0.125 0.000 1.060 423 E HN 0.022 nan 8.360 nan 0.000 0.402 424 P HA -0.044 nan 4.420 nan 0.000 0.238 424 P C -0.034 177.119 177.300 -0.245 0.000 1.649 424 P CA 0.448 63.465 63.100 -0.139 0.000 0.960 424 P CB -0.455 31.219 31.700 -0.043 0.000 1.911 425 V N -2.785 116.985 119.914 -0.240 0.000 3.276 425 V HA 0.073 4.193 4.120 0.001 0.000 0.319 425 V C 1.903 177.941 176.094 -0.094 0.000 1.476 425 V CA 0.520 62.693 62.300 -0.212 0.000 1.097 425 V CB -0.557 31.085 31.823 -0.302 0.000 0.988 425 V HN 0.205 nan 8.190 nan 0.000 0.473 426 T N -0.992 113.527 114.554 -0.058 0.000 2.788 426 T HA -0.095 4.255 4.350 0.001 0.000 0.268 426 T C 2.026 176.699 174.700 -0.045 0.000 1.044 426 T CA 1.985 64.063 62.100 -0.036 0.000 1.139 426 T CB -0.472 68.379 68.868 -0.029 0.000 0.867 426 T HN 0.917 nan 8.240 nan 0.000 0.454 427 A N 1.863 124.658 122.820 -0.041 0.000 1.908 427 A HA -0.128 4.192 4.320 0.001 0.000 0.218 427 A C 2.279 179.833 177.584 -0.050 0.000 1.181 427 A CA 1.968 53.983 52.037 -0.037 0.000 0.627 427 A CB -0.730 18.257 19.000 -0.022 0.000 0.818 427 A HN 0.553 nan 8.150 nan 0.000 0.445 428 E N -0.349 119.814 120.200 -0.061 0.000 2.158 428 E HA 0.054 4.404 4.350 0.001 0.000 0.191 428 E C 1.909 178.467 176.600 -0.070 0.000 0.982 428 E CA 0.396 56.749 56.400 -0.078 0.000 0.823 428 E CB -0.273 29.371 29.700 -0.093 0.000 0.766 428 E HN 0.621 nan 8.360 nan 0.000 0.468 429 L N -0.176 121.015 121.223 -0.054 0.000 1.976 429 L HA -0.256 4.085 4.340 0.001 0.000 0.209 429 L C 2.268 179.111 176.870 -0.045 0.000 1.071 429 L CA 1.225 56.043 54.840 -0.036 0.000 0.746 429 L CB -0.433 41.617 42.059 -0.015 0.000 0.890 429 L HN 0.277 nan 8.230 nan 0.000 0.432 430 C N -0.273 118.995 119.300 -0.053 0.000 2.393 430 C HA -0.216 4.244 4.460 0.001 0.000 0.276 430 C C 2.777 177.739 174.990 -0.048 0.000 1.215 430 C CA 1.236 60.222 59.018 -0.053 0.000 1.743 430 C CB -0.842 26.867 27.740 -0.053 0.000 2.044 430 C HN 0.581 nan 8.230 nan 0.000 0.464 431 E N 0.714 120.883 120.200 -0.052 0.000 2.097 431 E HA -0.253 4.097 4.350 0.001 0.000 0.196 431 E C 2.060 178.628 176.600 -0.053 0.000 1.000 431 E CA 1.654 58.021 56.400 -0.055 0.000 0.804 431 E CB -0.515 29.145 29.700 -0.065 0.000 0.740 431 E HN 0.637 nan 8.360 nan 0.000 0.454 432 M N -0.858 118.710 119.600 -0.053 0.000 2.200 432 M HA -0.026 4.454 4.480 0.001 0.000 0.265 432 M C 1.562 177.850 176.300 -0.021 0.000 1.066 432 M CA 1.385 56.658 55.300 -0.044 0.000 1.127 432 M CB 0.108 32.679 32.600 -0.048 0.000 1.379 432 M HN 0.199 nan 8.290 nan 0.000 0.420 433 M N -0.917 118.671 119.600 -0.019 0.000 2.495 433 M HA 0.230 4.711 4.480 0.001 0.000 0.237 433 M C 0.943 177.234 176.300 -0.014 0.000 1.131 433 M CA 0.560 55.855 55.300 -0.008 0.000 1.032 433 M CB 0.273 32.868 32.600 -0.008 0.000 1.513 433 M HN 0.489 nan 8.290 nan 0.000 0.488 434 G N 1.941 110.726 108.800 -0.024 0.000 2.246 434 G HA2 -0.192 3.768 3.960 0.001 0.000 0.273 434 G HA3 -0.192 3.768 3.960 0.001 0.000 0.273 434 G C -0.089 174.795 174.900 -0.027 0.000 1.055 434 G CA -0.327 44.758 45.100 -0.025 0.000 0.851 434 G HN 0.325 nan 8.290 nan 0.000 0.500 435 V N 0.270 120.164 119.914 -0.033 0.000 2.540 435 V HA 0.138 4.259 4.120 0.001 0.000 0.297 435 V C 1.272 177.345 176.094 -0.035 0.000 1.024 435 V CA 0.378 62.656 62.300 -0.037 0.000 1.105 435 V CB 0.822 32.617 31.823 -0.048 0.000 0.938 435 V HN 0.471 nan 8.190 nan 0.000 0.482 436 K N 3.352 123.733 120.400 -0.030 0.000 2.258 436 K HA 0.142 4.462 4.320 0.001 0.000 0.264 436 K C 0.281 176.863 176.600 -0.031 0.000 1.007 436 K CA -0.221 56.048 56.287 -0.029 0.000 0.941 436 K CB 0.158 32.644 32.500 -0.023 0.000 0.966 436 K HN 0.776 nan 8.250 nan 0.000 0.480 437 D N 0.832 121.213 120.400 -0.032 0.000 2.812 437 D HA -0.150 4.490 4.640 0.001 0.000 0.237 437 D C -0.153 176.128 176.300 -0.031 0.000 1.162 437 D CA 0.913 54.895 54.000 -0.030 0.000 0.740 437 D CB -1.309 39.476 40.800 -0.025 0.000 1.000 437 D HN 0.752 nan 8.370 nan 0.000 0.416 438 C N -1.233 118.047 119.300 -0.033 0.000 3.304 438 C HA 0.595 5.056 4.460 0.001 0.000 0.264 438 C C 0.448 175.422 174.990 -0.026 0.000 2.233 438 C CA -0.847 58.153 59.018 -0.030 0.000 1.661 438 C CB -0.790 26.927 27.740 -0.037 0.000 3.383 438 C HN 0.507 nan 8.230 nan 0.000 0.427 439 C N -0.295 118.987 119.300 -0.030 0.000 3.241 439 C HA 0.922 5.382 4.460 0.001 0.000 0.312 439 C C -0.255 174.712 174.990 -0.038 0.000 1.350 439 C CA -0.261 58.737 59.018 -0.034 0.000 1.415 439 C CB 0.972 28.679 27.740 -0.055 0.000 1.770 439 C HN 0.807 nan 8.230 nan 0.000 0.466 440 C N 1.531 120.803 119.300 -0.048 0.000 3.275 440 C HA 0.771 5.231 4.460 0.001 0.000 0.340 440 C C -0.637 174.306 174.990 -0.078 0.000 1.366 440 C CA -0.079 58.913 59.018 -0.043 0.000 1.227 440 C CB 0.599 28.338 27.740 -0.001 0.000 1.512 440 C HN 1.147 nan 8.230 nan 0.000 0.461 441 M N 0.000 119.570 119.600 -0.050 0.000 2.572 441 M HA 0.000 4.480 4.480 0.001 0.000 0.227 441 M CA 0.000 55.271 55.300 -0.049 0.000 0.988 441 M CB 0.000 32.603 32.600 0.006 0.000 1.302 441 M HN 0.000 nan 8.290 nan 0.000 0.411