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 1oxh_1_B DATA FIRST_RESID 2 DATA SEQUENCE KLNRVVVTGY GVTSPIGNTP EEFWNSLATG KIGIGGITKF DHSDFDVHNA DATA SEQUENCE AEIQDFPFDK YFVKKDTNRF DNYSLYALYA AQEAVNHANL DVEALNRDRF DATA SEQUENCE GVIVASGIGG IKEIEDQVLR LHEKGPKRVK PMTLPKALPN MASGNVAMRF DATA SEQUENCE GANGVCKSIN TACSSSNDAI GDAFRSIKFG FQDVMLVGGT EASITPFAIA DATA SEQUENCE GFQALTALST TEDPTRASIP FDKDRNGFVM GEGSGMLVLE SLEHAEKRGA DATA SEQUENCE TILAEVVGYG NTCDAYHMTS PHPEGQGAIK AIKLALEEAE ISPEQVAYVN DATA SEQUENCE AHGTSTPANE KGESGAIVAV LGKEVPVSST KSFTGHLLGA AGAVEAIVTI DATA SEQUENCE EAMRHNFVPM TAGTSEVSDY IEANVVYGQG LEKEIPYAIS NTFGFGGHNA DATA SEQUENCE VLAFKRWE 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.544 176.600 -0.093 0.000 0.988 2 K CA 0.000 56.257 56.287 -0.050 0.000 0.838 2 K CB 0.000 32.483 32.500 -0.028 0.000 1.064 3 L N 3.056 124.207 121.223 -0.121 0.000 2.309 3 L HA 0.525 4.869 4.340 0.007 0.000 0.282 3 L C -0.447 176.327 176.870 -0.160 0.000 1.036 3 L CA -0.979 53.729 54.840 -0.219 0.000 0.806 3 L CB 1.544 43.454 42.059 -0.249 0.000 1.220 3 L HN 0.235 nan 8.230 nan 0.000 0.429 4 N N 2.500 121.090 118.700 -0.184 0.000 2.487 4 N HA 0.404 5.148 4.740 0.007 0.000 0.292 4 N C -0.517 174.946 175.510 -0.079 0.000 1.108 4 N CA -0.714 52.274 53.050 -0.104 0.000 0.956 4 N CB 1.774 40.209 38.487 -0.087 0.000 1.176 4 N HN 0.467 nan 8.380 nan 0.000 0.484 5 R N 0.257 120.752 120.500 -0.009 0.000 2.531 5 R HA 0.461 4.806 4.340 0.007 0.000 0.273 5 R C -0.515 175.816 176.300 0.052 0.000 1.070 5 R CA -0.493 55.639 56.100 0.052 0.000 1.112 5 R CB 0.823 31.176 30.300 0.087 0.000 1.049 5 R HN 0.245 nan 8.270 nan 0.000 0.508 6 V N 2.631 122.619 119.914 0.123 0.000 2.487 6 V HA 0.399 4.523 4.120 0.007 0.000 0.298 6 V C -0.518 175.620 176.094 0.074 0.000 1.028 6 V CA -0.717 61.657 62.300 0.123 0.000 0.860 6 V CB 1.875 33.878 31.823 0.300 0.000 0.991 6 V HN 0.415 nan 8.190 nan 0.000 0.427 7 V N 4.946 124.854 119.914 -0.010 0.000 2.823 7 V HA 0.521 4.645 4.120 0.007 0.000 0.312 7 V C -0.487 175.566 176.094 -0.069 0.000 1.072 7 V CA -0.584 61.657 62.300 -0.097 0.000 0.937 7 V CB 2.776 34.443 31.823 -0.261 0.000 1.013 7 V HN 0.631 nan 8.190 nan 0.000 0.430 8 V N 4.266 124.148 119.914 -0.053 0.000 2.406 8 V HA 0.299 4.424 4.120 0.007 0.000 0.272 8 V C 1.084 177.143 176.094 -0.059 0.000 1.043 8 V CA 0.414 62.715 62.300 0.001 0.000 0.915 8 V CB 1.163 33.037 31.823 0.085 0.000 0.988 8 V HN 1.087 nan 8.190 nan 0.000 0.466 9 T N 0.328 114.847 114.554 -0.058 0.000 3.054 9 T HA 0.540 4.894 4.350 0.007 0.000 0.255 9 T C 0.589 175.226 174.700 -0.105 0.000 1.035 9 T CA 0.332 62.365 62.100 -0.111 0.000 0.941 9 T CB 0.514 69.307 68.868 -0.124 0.000 1.026 9 T HN 1.115 nan 8.240 nan 0.000 0.533 10 G N 0.645 109.449 108.800 0.007 0.000 2.338 10 G HA2 0.500 4.464 3.960 0.007 0.000 0.295 10 G HA3 0.500 4.464 3.960 0.007 0.000 0.295 10 G C -2.123 172.881 174.900 0.172 0.000 1.461 10 G CA -0.740 44.417 45.100 0.095 0.000 0.817 10 G HN 0.635 nan 8.290 nan 0.000 0.556 11 Y N -2.049 118.334 120.300 0.139 0.000 2.662 11 Y HA 0.839 5.393 4.550 0.007 0.000 0.334 11 Y C -0.090 175.692 175.900 -0.197 0.000 1.185 11 Y CA -1.160 56.899 58.100 -0.067 0.000 1.074 11 Y CB 0.996 39.411 38.460 -0.075 0.000 1.330 11 Y HN 1.478 nan 8.280 nan 0.000 0.458 12 G N 0.197 109.070 108.800 0.121 0.000 2.672 12 G HA2 0.717 4.681 3.960 0.007 0.000 0.292 12 G HA3 0.717 4.681 3.960 0.007 0.000 0.292 12 G C -2.153 172.778 174.900 0.051 0.000 1.375 12 G CA -1.078 44.036 45.100 0.024 0.000 0.890 12 G HN 1.489 nan 8.290 nan 0.000 0.476 13 V N -0.213 119.753 119.914 0.087 0.000 2.966 13 V HA 0.698 4.822 4.120 0.007 0.000 0.288 13 V C -1.090 175.142 176.094 0.230 0.000 1.380 13 V CA -0.505 61.831 62.300 0.060 0.000 0.966 13 V CB 2.155 33.843 31.823 -0.225 0.000 1.115 13 V HN 1.086 nan 8.190 nan 0.000 0.436 14 T N 4.370 119.041 114.554 0.195 0.000 2.829 14 T HA 0.882 5.236 4.350 0.007 0.000 0.280 14 T C -0.443 174.258 174.700 0.001 0.000 0.999 14 T CA -0.139 62.023 62.100 0.104 0.000 0.983 14 T CB 1.504 70.370 68.868 -0.002 0.000 0.968 14 T HN 1.341 nan 8.240 nan 0.000 0.446 15 S N 1.550 117.274 115.700 0.040 0.000 2.615 15 S HA 0.532 5.006 4.470 0.007 0.000 0.269 15 S C -2.880 171.773 174.600 0.089 0.000 1.161 15 S CA -1.389 56.856 58.200 0.076 0.000 0.817 15 S CB 1.286 64.620 63.200 0.225 0.000 1.131 15 S HN 0.292 nan 8.310 nan 0.000 0.467 16 P HA 0.125 nan 4.420 nan 0.000 0.231 16 P C 0.897 178.260 177.300 0.104 0.000 1.158 16 P CA 0.709 63.859 63.100 0.083 0.000 0.763 16 P CB -0.335 31.412 31.700 0.080 0.000 0.805 17 I N -6.535 114.124 120.570 0.149 0.000 4.147 17 I HA 0.594 4.768 4.170 0.007 0.000 0.329 17 I C 0.311 176.524 176.117 0.161 0.000 1.424 17 I CA -0.410 60.961 61.300 0.118 0.000 1.127 17 I CB 0.692 38.716 38.000 0.040 0.000 1.128 17 I HN -0.177 nan 8.210 nan 0.000 0.417 18 G N 1.320 110.248 108.800 0.214 0.000 2.322 18 G HA2 0.035 3.999 3.960 0.007 0.000 0.289 18 G HA3 0.035 3.999 3.960 0.007 0.000 0.289 18 G C -1.073 173.962 174.900 0.225 0.000 1.687 18 G CA -0.645 44.593 45.100 0.230 0.000 0.944 18 G HN 0.028 nan 8.290 nan 0.000 0.718 19 N N -0.003 118.810 118.700 0.188 0.000 2.204 19 N HA 0.210 4.954 4.740 0.007 0.000 0.219 19 N C 0.505 176.187 175.510 0.287 0.000 1.151 19 N CA 0.739 53.921 53.050 0.220 0.000 0.867 19 N CB 1.425 39.989 38.487 0.128 0.000 1.043 19 N HN 1.010 nan 8.380 nan 0.000 0.516 20 T N -3.815 110.869 114.554 0.217 0.000 2.883 20 T HA 0.413 4.767 4.350 0.007 0.000 0.301 20 T C -2.524 172.290 174.700 0.190 0.000 1.158 20 T CA -1.615 60.585 62.100 0.166 0.000 1.007 20 T CB 2.843 71.792 68.868 0.134 0.000 1.186 20 T HN -0.360 nan 8.240 nan 0.000 0.499 21 P HA -0.011 nan 4.420 nan 0.000 0.220 21 P C 1.111 178.619 177.300 0.346 0.000 1.148 21 P CA 0.976 64.235 63.100 0.266 0.000 0.803 21 P CB 0.162 31.946 31.700 0.140 0.000 0.782 22 E N -0.043 120.301 120.200 0.241 0.000 2.028 22 E HA -0.184 4.170 4.350 0.007 0.000 0.191 22 E C 2.004 178.763 176.600 0.266 0.000 0.988 22 E CA 1.068 57.617 56.400 0.249 0.000 0.799 22 E CB -0.492 29.306 29.700 0.163 0.000 0.755 22 E HN 0.365 nan 8.360 nan 0.000 0.447 23 E N 0.300 120.633 120.200 0.221 0.000 2.058 23 E HA -0.201 4.153 4.350 0.007 0.000 0.194 23 E C 1.888 178.609 176.600 0.202 0.000 0.997 23 E CA 0.987 57.496 56.400 0.183 0.000 0.801 23 E CB -0.213 29.586 29.700 0.165 0.000 0.746 23 E HN 0.158 nan 8.360 nan 0.000 0.450 24 F N 0.949 120.966 119.950 0.112 0.000 2.095 24 F HA -0.254 4.278 4.527 0.008 0.000 0.298 24 F C 2.117 177.948 175.800 0.051 0.000 1.104 24 F CA 1.708 59.756 58.000 0.080 0.000 1.232 24 F CB -0.230 38.838 39.000 0.113 0.000 0.987 24 F HN 0.195 nan 8.300 nan 0.000 0.475 25 W N 1.303 122.661 121.300 0.096 0.000 2.378 25 W HA -0.265 4.397 4.660 0.005 0.000 0.313 25 W C 2.207 178.626 176.519 -0.167 0.000 1.197 25 W CA 1.669 58.973 57.345 -0.068 0.000 1.304 25 W CB -1.070 28.439 29.460 0.083 0.000 1.148 25 W HN 0.193 nan 8.180 nan 0.000 0.494 26 N N 0.487 119.164 118.700 -0.038 0.000 2.132 26 N HA -0.210 4.534 4.740 0.007 0.000 0.191 26 N C 1.798 177.168 175.510 -0.234 0.000 1.015 26 N CA 2.788 55.776 53.050 -0.105 0.000 0.864 26 N CB -0.539 37.978 38.487 0.049 0.000 1.006 26 N HN -0.060 nan 8.380 nan 0.000 0.430 27 S N -0.181 115.376 115.700 -0.239 0.000 2.356 27 S HA -0.013 4.461 4.470 0.007 0.000 0.223 27 S C 1.833 176.184 174.600 -0.414 0.000 1.032 27 S CA 0.876 58.940 58.200 -0.227 0.000 1.005 27 S CB -0.316 62.771 63.200 -0.188 0.000 0.867 27 S HN 0.332 nan 8.310 nan 0.000 0.449 28 L N 0.873 121.584 121.223 -0.853 0.000 2.191 28 L HA -0.106 4.238 4.340 0.007 0.000 0.212 28 L C 2.523 178.926 176.870 -0.778 0.000 1.103 28 L CA 1.106 55.220 54.840 -1.209 0.000 0.769 28 L CB -0.525 40.667 42.059 -1.444 0.000 0.908 28 L HN 0.328 nan 8.230 nan 0.000 0.438 29 A N -0.650 121.729 122.820 -0.736 0.000 2.081 29 A HA -0.055 4.269 4.320 0.007 0.000 0.214 29 A C 2.059 179.554 177.584 -0.149 0.000 1.158 29 A CA 1.324 53.110 52.037 -0.418 0.000 0.724 29 A CB -0.347 18.365 19.000 -0.480 0.000 0.826 29 A HN 0.445 nan 8.150 nan 0.000 0.463 30 T N -5.330 109.155 114.554 -0.116 0.000 3.085 30 T HA 0.429 4.783 4.350 0.007 0.000 0.264 30 T C 1.186 175.907 174.700 0.035 0.000 1.019 30 T CA 0.973 63.056 62.100 -0.028 0.000 0.910 30 T CB 0.168 69.016 68.868 -0.034 0.000 1.059 30 T HN 1.566 nan 8.240 nan 0.000 0.542 31 G N 2.030 110.907 108.800 0.128 0.000 2.160 31 G HA2 -0.295 3.669 3.960 0.007 0.000 0.251 31 G HA3 -0.295 3.669 3.960 0.007 0.000 0.251 31 G C -0.098 174.847 174.900 0.075 0.000 1.008 31 G CA 0.318 45.520 45.100 0.169 0.000 0.724 31 G HN 0.821 nan 8.290 nan 0.000 0.514 32 K N 1.015 121.493 120.400 0.130 0.000 2.284 32 K HA 0.519 4.843 4.320 0.007 0.000 0.287 32 K C 1.361 178.025 176.600 0.107 0.000 1.081 32 K CA -0.806 55.518 56.287 0.063 0.000 0.910 32 K CB 0.071 32.597 32.500 0.043 0.000 1.088 32 K HN 0.553 nan 8.250 nan 0.000 0.478 33 I N 0.668 121.210 120.570 -0.046 0.000 2.834 33 I HA 0.406 4.580 4.170 0.007 0.000 0.305 33 I C 0.721 176.845 176.117 0.012 0.000 1.008 33 I CA -0.411 60.846 61.300 -0.071 0.000 1.273 33 I CB 1.551 39.408 38.000 -0.239 0.000 1.432 33 I HN 0.619 nan 8.210 nan 0.000 0.557 34 G N 4.405 113.229 108.800 0.039 0.000 3.159 34 G HA2 0.261 4.225 3.960 0.007 0.000 0.232 34 G HA3 0.261 4.225 3.960 0.007 0.000 0.232 34 G C 0.527 175.439 174.900 0.020 0.000 1.116 34 G CA -0.135 44.992 45.100 0.045 0.000 0.767 34 G HN 0.427 nan 8.290 nan 0.000 0.547 35 I N 1.843 122.410 120.570 -0.005 0.000 2.496 35 I HA 0.521 4.695 4.170 0.007 0.000 0.285 35 I C 0.828 176.930 176.117 -0.026 0.000 1.080 35 I CA -0.068 61.223 61.300 -0.016 0.000 1.404 35 I CB 0.423 38.404 38.000 -0.031 0.000 1.403 35 I HN 0.077 nan 8.210 nan 0.000 0.539 36 G N 3.544 112.325 108.800 -0.032 0.000 2.606 36 G HA2 0.553 4.517 3.960 0.007 0.000 0.300 36 G HA3 0.553 4.517 3.960 0.007 0.000 0.300 36 G C -0.466 174.397 174.900 -0.062 0.000 1.360 36 G CA -0.495 44.583 45.100 -0.037 0.000 0.783 36 G HN 0.782 nan 8.290 nan 0.000 0.484 37 G N -0.919 107.846 108.800 -0.057 0.000 2.484 37 G HA2 0.402 4.366 3.960 0.007 0.000 0.235 37 G HA3 0.402 4.366 3.960 0.007 0.000 0.235 37 G C 0.246 175.057 174.900 -0.148 0.000 1.282 37 G CA -0.299 44.748 45.100 -0.090 0.000 0.857 37 G HN 0.614 nan 8.290 nan 0.000 0.571 38 I N 1.259 121.630 120.570 -0.333 0.000 2.471 38 I HA 0.107 4.281 4.170 0.007 0.000 0.286 38 I C 1.622 177.630 176.117 -0.182 0.000 1.079 38 I CA 0.201 61.265 61.300 -0.393 0.000 1.398 38 I CB 1.334 38.849 38.000 -0.807 0.000 1.403 38 I HN 0.699 nan 8.210 nan 0.000 0.530 39 T N 0.889 115.368 114.554 -0.126 0.000 2.975 39 T HA 0.151 4.505 4.350 0.007 0.000 0.257 39 T C 1.330 176.005 174.700 -0.042 0.000 1.003 39 T CA -0.296 61.777 62.100 -0.046 0.000 0.932 39 T CB 0.136 68.998 68.868 -0.010 0.000 1.087 39 T HN 0.462 nan 8.240 nan 0.000 0.512 40 K N 0.768 121.128 120.400 -0.067 0.000 2.288 40 K HA 0.215 4.540 4.320 0.007 0.000 0.201 40 K C 0.089 176.797 176.600 0.180 0.000 1.048 40 K CA 0.775 57.105 56.287 0.072 0.000 0.956 40 K CB -0.037 32.558 32.500 0.158 0.000 0.746 40 K HN 0.670 nan 8.250 nan 0.000 0.461 41 F N -1.989 117.975 119.950 0.024 0.000 2.711 41 F HA 0.318 4.849 4.527 0.007 0.000 0.313 41 F C -1.303 174.519 175.800 0.037 0.000 1.141 41 F CA -1.955 56.053 58.000 0.014 0.000 0.941 41 F CB 0.658 39.644 39.000 -0.023 0.000 1.349 41 F HN -0.325 nan 8.300 nan 0.000 0.464 42 D N 0.703 121.236 120.400 0.221 0.000 2.339 42 D HA 0.167 4.811 4.640 0.007 0.000 0.256 42 D C 0.150 176.538 176.300 0.147 0.000 1.214 42 D CA 0.166 54.210 54.000 0.073 0.000 0.877 42 D CB 0.279 41.140 40.800 0.102 0.000 1.111 42 D HN 0.738 nan 8.370 nan 0.000 0.478 43 H N 0.306 119.360 119.070 -0.027 0.000 2.528 43 H HA 0.253 4.813 4.556 0.007 0.000 0.282 43 H C 1.319 176.856 175.328 0.348 0.000 1.097 43 H CA 0.108 56.155 56.048 -0.001 0.000 1.121 43 H CB 0.024 29.574 29.762 -0.354 0.000 1.590 43 H HN 0.197 nan 8.280 nan 0.000 0.553 44 S N -0.114 115.664 115.700 0.129 0.000 2.399 44 S HA -0.193 4.281 4.470 0.007 0.000 0.231 44 S C 1.105 175.879 174.600 0.290 0.000 1.022 44 S CA 1.253 59.546 58.200 0.155 0.000 0.983 44 S CB -0.090 63.122 63.200 0.020 0.000 0.803 44 S HN 0.412 nan 8.310 nan 0.000 0.480 45 D N 0.387 120.987 120.400 0.333 0.000 2.340 45 D HA 0.287 4.931 4.640 0.007 0.000 0.220 45 D C -0.264 176.123 176.300 0.146 0.000 1.039 45 D CA 0.127 54.242 54.000 0.192 0.000 0.866 45 D CB -0.133 40.715 40.800 0.081 0.000 0.913 45 D HN 0.344 nan 8.370 nan 0.000 0.523 46 F N 0.893 120.920 119.950 0.128 0.000 2.380 46 F HA 0.185 4.715 4.527 0.005 0.000 0.321 46 F C 1.667 177.419 175.800 -0.080 0.000 1.103 46 F CA -0.751 57.260 58.000 0.019 0.000 1.067 46 F CB 0.875 39.886 39.000 0.017 0.000 1.265 46 F HN -0.290 nan 8.300 nan 0.000 0.517 47 D N 0.074 120.498 120.400 0.040 0.000 2.354 47 D HA 0.077 4.721 4.640 0.007 0.000 0.209 47 D C -0.041 176.141 176.300 -0.196 0.000 1.015 47 D CA 0.755 54.744 54.000 -0.018 0.000 0.867 47 D CB 0.398 41.204 40.800 0.010 0.000 0.933 47 D HN -0.006 nan 8.370 nan 0.000 0.520 48 V N 1.558 121.297 119.914 -0.291 0.000 2.435 48 V HA 0.195 4.319 4.120 0.007 0.000 0.290 48 V C 0.537 176.266 176.094 -0.610 0.000 1.030 48 V CA -0.475 61.644 62.300 -0.302 0.000 0.881 48 V CB 1.883 33.623 31.823 -0.139 0.000 0.983 48 V HN 0.188 nan 8.190 nan 0.000 0.445 49 H N 2.116 121.115 119.070 -0.118 0.000 3.233 49 H HA 0.350 4.910 4.556 0.008 0.000 0.263 49 H C -0.233 174.866 175.328 -0.382 0.000 1.168 49 H CA -0.261 55.598 56.048 -0.315 0.000 1.159 49 H CB 0.904 30.620 29.762 -0.076 0.000 1.593 49 H HN 0.510 nan 8.280 nan 0.000 0.580 50 N N 0.923 119.513 118.700 -0.183 0.000 2.292 50 N HA 0.666 5.411 4.740 0.007 0.000 0.303 50 N C -0.572 174.852 175.510 -0.143 0.000 1.140 50 N CA -0.261 52.699 53.050 -0.150 0.000 0.788 50 N CB 2.944 41.384 38.487 -0.078 0.000 1.361 50 N HN 0.223 nan 8.380 nan 0.000 0.489 51 A N -0.312 122.445 122.820 -0.105 0.000 2.586 51 A HA 0.762 5.086 4.320 0.007 0.000 0.290 51 A C -1.654 175.918 177.584 -0.020 0.000 1.086 51 A CA -0.661 51.343 52.037 -0.056 0.000 0.665 51 A CB 0.795 19.754 19.000 -0.068 0.000 1.279 51 A HN 0.590 nan 8.150 nan 0.000 0.423 52 A N 1.167 123.999 122.820 0.021 0.000 2.540 52 A HA 0.605 4.930 4.320 0.007 0.000 0.340 52 A C -0.143 177.464 177.584 0.039 0.000 1.424 52 A CA -0.250 51.808 52.037 0.036 0.000 0.940 52 A CB -0.380 18.659 19.000 0.065 0.000 1.149 52 A HN 0.643 nan 8.150 nan 0.000 0.505 53 E N 1.374 121.588 120.200 0.024 0.000 2.283 53 E HA 0.386 4.740 4.350 0.007 0.000 0.271 53 E C -0.781 175.835 176.600 0.026 0.000 1.031 53 E CA -0.497 55.920 56.400 0.029 0.000 0.868 53 E CB 1.678 31.390 29.700 0.021 0.000 1.094 53 E HN 0.619 nan 8.360 nan 0.000 0.401 54 I N 2.746 123.322 120.570 0.011 0.000 2.291 54 I HA 0.006 4.180 4.170 0.007 0.000 0.292 54 I C 0.806 176.957 176.117 0.057 0.000 1.064 54 I CA 0.285 61.587 61.300 0.003 0.000 1.269 54 I CB 0.412 38.343 38.000 -0.115 0.000 1.418 54 I HN 0.438 nan 8.210 nan 0.000 0.485 55 Q N 3.476 123.314 119.800 0.063 0.000 2.247 55 Q HA 0.032 4.376 4.340 0.007 0.000 0.211 55 Q C -0.220 175.831 176.000 0.085 0.000 0.861 55 Q CA 0.120 55.965 55.803 0.070 0.000 0.949 55 Q CB 0.471 29.237 28.738 0.046 0.000 1.115 55 Q HN 0.686 nan 8.270 nan 0.000 0.507 56 D N -0.563 119.895 120.400 0.096 0.000 2.891 56 D HA 0.007 4.651 4.640 0.007 0.000 0.332 56 D C -0.577 175.788 176.300 0.109 0.000 1.369 56 D CA -0.713 53.340 54.000 0.088 0.000 0.827 56 D CB -0.605 40.229 40.800 0.057 0.000 1.141 56 D HN -0.069 nan 8.370 nan 0.000 0.464 57 F N 2.755 122.711 119.950 0.012 0.000 2.571 57 F HA 0.232 4.764 4.527 0.009 0.000 0.390 57 F C -1.786 174.037 175.800 0.037 0.000 1.043 57 F CA -2.235 55.761 58.000 -0.006 0.000 1.164 57 F CB 0.682 39.745 39.000 0.106 0.000 1.049 57 F HN -0.127 nan 8.300 nan 0.000 0.552 58 P HA -0.014 nan 4.420 nan 0.000 0.235 58 P C 0.752 177.713 177.300 -0.565 0.000 1.720 58 P CA 0.350 63.164 63.100 -0.476 0.000 1.003 58 P CB -0.676 30.817 31.700 -0.346 0.000 1.968 59 F N 1.806 121.448 119.950 -0.513 0.000 2.161 59 F HA -0.216 4.314 4.527 0.005 0.000 0.300 59 F C 1.426 177.242 175.800 0.026 0.000 1.089 59 F CA 1.722 59.657 58.000 -0.109 0.000 1.282 59 F CB 0.020 39.135 39.000 0.191 0.000 1.010 59 F HN 0.026 nan 8.300 nan 0.000 0.485 60 D N 0.166 120.612 120.400 0.076 0.000 2.269 60 D HA -0.143 4.501 4.640 0.007 0.000 0.208 60 D C 2.083 178.256 176.300 -0.212 0.000 0.963 60 D CA 0.659 54.653 54.000 -0.011 0.000 0.864 60 D CB -0.346 40.488 40.800 0.058 0.000 0.936 60 D HN 0.358 nan 8.370 nan 0.000 0.505 61 K N -0.332 119.867 120.400 -0.336 0.000 2.044 61 K HA -0.184 4.140 4.320 0.007 0.000 0.210 61 K C 1.025 177.151 176.600 -0.790 0.000 1.049 61 K CA 1.444 57.373 56.287 -0.597 0.000 0.927 61 K CB 0.054 32.119 32.500 -0.724 0.000 0.713 61 K HN 0.267 nan 8.250 nan 0.000 0.443 62 Y N -2.545 117.451 120.300 -0.507 0.000 2.448 62 Y HA 0.247 4.802 4.550 0.008 0.000 0.257 62 Y C 0.080 175.529 175.900 -0.753 0.000 1.089 62 Y CA -1.095 56.596 58.100 -0.683 0.000 1.245 62 Y CB 0.727 38.650 38.460 -0.895 0.000 1.282 62 Y HN -0.151 nan 8.280 nan 0.000 0.529 63 F N -0.063 119.760 119.950 -0.212 0.000 2.613 63 F HA 0.671 5.202 4.527 0.007 0.000 0.342 63 F C 0.040 175.649 175.800 -0.319 0.000 1.066 63 F CA -1.625 56.151 58.000 -0.374 0.000 1.002 63 F CB 1.412 39.886 39.000 -0.877 0.000 1.319 63 F HN -0.373 nan 8.300 nan 0.000 0.495 64 V N -1.615 118.368 119.914 0.114 0.000 3.158 64 V HA 0.487 4.612 4.120 0.007 0.000 0.311 64 V C 0.492 176.864 176.094 0.463 0.000 1.181 64 V CA -1.100 61.355 62.300 0.259 0.000 1.054 64 V CB 1.796 33.723 31.823 0.174 0.000 1.085 64 V HN 0.816 nan 8.190 nan 0.000 0.446 65 K N 0.310 120.956 120.400 0.410 0.000 2.044 65 K HA -0.152 4.172 4.320 0.007 0.000 0.210 65 K C 1.909 178.665 176.600 0.260 0.000 1.049 65 K CA 2.376 58.866 56.287 0.339 0.000 0.927 65 K CB -0.228 32.379 32.500 0.179 0.000 0.713 65 K HN 0.780 nan 8.250 nan 0.000 0.443 66 K N 0.453 120.962 120.400 0.180 0.000 2.218 66 K HA -0.160 4.164 4.320 0.007 0.000 0.205 66 K C 1.510 178.168 176.600 0.096 0.000 1.046 66 K CA 1.462 57.813 56.287 0.108 0.000 0.933 66 K CB -0.082 32.460 32.500 0.069 0.000 0.728 66 K HN 0.249 nan 8.250 nan 0.000 0.454 67 D N 0.390 120.895 120.400 0.176 0.000 2.218 67 D HA -0.134 4.510 4.640 0.007 0.000 0.204 67 D C 1.962 178.343 176.300 0.135 0.000 0.976 67 D CA 1.486 55.573 54.000 0.145 0.000 0.853 67 D CB -0.320 40.655 40.800 0.292 0.000 0.939 67 D HN 0.315 nan 8.370 nan 0.000 0.481 68 T N -0.543 114.135 114.554 0.207 0.000 2.946 68 T HA -0.177 4.177 4.350 0.007 0.000 0.271 68 T C 1.582 176.303 174.700 0.034 0.000 1.104 68 T CA 1.077 63.257 62.100 0.132 0.000 1.114 68 T CB -0.096 68.828 68.868 0.093 0.000 0.867 68 T HN -0.066 nan 8.240 nan 0.000 0.513 69 N N 1.366 120.059 118.700 -0.011 0.000 2.376 69 N HA 0.021 4.765 4.740 0.007 0.000 0.177 69 N C 1.908 177.334 175.510 -0.140 0.000 1.024 69 N CA 0.698 53.714 53.050 -0.056 0.000 0.893 69 N CB -0.001 38.459 38.487 -0.045 0.000 0.980 69 N HN 0.708 nan 8.380 nan 0.000 0.439 70 R N -1.572 118.747 120.500 -0.303 0.000 2.265 70 R HA 0.225 4.569 4.340 0.007 0.000 0.194 70 R C -0.102 175.889 176.300 -0.515 0.000 0.931 70 R CA 0.271 56.048 56.100 -0.538 0.000 1.032 70 R CB 0.305 30.065 30.300 -0.901 0.000 0.980 70 R HN 0.009 nan 8.270 nan 0.000 0.497 71 F N 1.237 121.162 119.950 -0.041 0.000 2.557 71 F HA 0.270 4.800 4.527 0.005 0.000 0.316 71 F C -0.119 175.637 175.800 -0.074 0.000 1.141 71 F CA -1.454 56.496 58.000 -0.084 0.000 0.922 71 F CB 1.889 40.791 39.000 -0.162 0.000 1.194 71 F HN -0.142 nan 8.300 nan 0.000 0.443 72 D N 1.696 122.181 120.400 0.142 0.000 2.354 72 D HA 0.053 4.697 4.640 0.007 0.000 0.247 72 D C 0.571 176.831 176.300 -0.066 0.000 1.138 72 D CA -0.118 53.925 54.000 0.072 0.000 0.958 72 D CB 1.044 41.954 40.800 0.183 0.000 1.144 72 D HN 0.496 nan 8.370 nan 0.000 0.458 73 N N 0.703 119.296 118.700 -0.179 0.000 2.272 73 N HA -0.229 4.515 4.740 0.007 0.000 0.185 73 N C 1.530 176.566 175.510 -0.790 0.000 1.014 73 N CA 0.956 53.669 53.050 -0.561 0.000 0.870 73 N CB -0.593 37.512 38.487 -0.637 0.000 0.975 73 N HN 0.572 nan 8.380 nan 0.000 0.433 74 Y N 0.356 120.383 120.300 -0.454 0.000 2.224 74 Y HA -0.024 4.523 4.550 -0.005 0.000 0.289 74 Y C 2.227 178.013 175.900 -0.191 0.000 1.146 74 Y CA 1.359 59.290 58.100 -0.283 0.000 1.182 74 Y CB -0.542 37.852 38.460 -0.109 0.000 0.983 74 Y HN -0.104 nan 8.280 nan 0.000 0.524 75 S N 1.085 116.329 115.700 -0.760 0.000 2.357 75 S HA -0.069 4.405 4.470 0.007 0.000 0.221 75 S C 1.971 176.302 174.600 -0.449 0.000 1.031 75 S CA 1.291 59.087 58.200 -0.674 0.000 0.982 75 S CB -0.563 62.338 63.200 -0.499 0.000 0.853 75 S HN 0.505 nan 8.310 nan 0.000 0.458 76 L N 0.230 121.197 121.223 -0.426 0.000 2.043 76 L HA -0.210 4.134 4.340 0.007 0.000 0.212 76 L C 2.196 179.162 176.870 0.160 0.000 1.075 76 L CA 1.672 56.335 54.840 -0.296 0.000 0.752 76 L CB -0.786 41.100 42.059 -0.287 0.000 0.891 76 L HN 0.459 nan 8.230 nan 0.000 0.432 77 Y N -0.581 119.676 120.300 -0.071 0.000 2.242 77 Y HA -0.225 4.327 4.550 0.005 0.000 0.291 77 Y C 2.707 178.715 175.900 0.180 0.000 1.137 77 Y CA 0.158 58.290 58.100 0.053 0.000 1.181 77 Y CB -0.289 38.137 38.460 -0.057 0.000 0.989 77 Y HN 0.209 nan 8.280 nan 0.000 0.527 78 A N 0.399 123.342 122.820 0.204 0.000 1.898 78 A HA -0.120 4.204 4.320 0.007 0.000 0.216 78 A C 2.168 179.851 177.584 0.164 0.000 1.181 78 A CA 1.125 53.242 52.037 0.134 0.000 0.620 78 A CB -0.925 18.075 19.000 -0.000 0.000 0.819 78 A HN 0.436 nan 8.150 nan 0.000 0.442 79 L N -2.172 119.142 121.223 0.152 0.000 2.056 79 L HA -0.172 4.172 4.340 0.007 0.000 0.207 79 L C 2.566 179.608 176.870 0.287 0.000 1.078 79 L CA 1.757 56.706 54.840 0.182 0.000 0.749 79 L CB -0.645 41.467 42.059 0.089 0.000 0.901 79 L HN 0.597 nan 8.230 nan 0.000 0.433 80 Y N 0.773 121.299 120.300 0.376 0.000 2.070 80 Y HA -0.341 4.212 4.550 0.004 0.000 0.280 80 Y C 2.528 178.547 175.900 0.199 0.000 1.148 80 Y CA 1.685 59.981 58.100 0.327 0.000 1.125 80 Y CB -0.345 38.462 38.460 0.578 0.000 0.975 80 Y HN 0.106 nan 8.280 nan 0.000 0.492 81 A N 0.526 123.562 122.820 0.360 0.000 1.940 81 A HA -0.177 4.147 4.320 0.007 0.000 0.219 81 A C 2.382 179.977 177.584 0.018 0.000 1.176 81 A CA 2.052 54.187 52.037 0.164 0.000 0.631 81 A CB -1.547 17.579 19.000 0.210 0.000 0.814 81 A HN 0.667 nan 8.150 nan 0.000 0.446 82 A N -1.116 121.734 122.820 0.050 0.000 1.898 82 A HA -0.163 4.161 4.320 0.007 0.000 0.216 82 A C 2.157 179.674 177.584 -0.111 0.000 1.181 82 A CA 2.052 54.078 52.037 -0.020 0.000 0.620 82 A CB -0.487 18.572 19.000 0.100 0.000 0.819 82 A HN 0.525 nan 8.150 nan 0.000 0.442 83 Q N -0.107 119.665 119.800 -0.047 0.000 2.079 83 Q HA -0.149 4.195 4.340 0.007 0.000 0.200 83 Q C 1.895 177.759 176.000 -0.226 0.000 0.974 83 Q CA 1.846 57.562 55.803 -0.145 0.000 0.840 83 Q CB -0.251 28.070 28.738 -0.694 0.000 0.898 83 Q HN 0.620 nan 8.270 nan 0.000 0.430 84 E N -0.124 119.912 120.200 -0.273 0.000 2.118 84 E HA -0.193 4.161 4.350 0.007 0.000 0.195 84 E C 1.790 178.319 176.600 -0.118 0.000 0.992 84 E CA 1.275 57.556 56.400 -0.198 0.000 0.804 84 E CB -0.356 29.179 29.700 -0.276 0.000 0.741 84 E HN 0.484 nan 8.360 nan 0.000 0.458 85 A N 0.881 123.633 122.820 -0.113 0.000 1.897 85 A HA -0.093 4.231 4.320 0.007 0.000 0.215 85 A C 2.619 180.148 177.584 -0.091 0.000 1.181 85 A CA 1.136 53.132 52.037 -0.069 0.000 0.620 85 A CB -0.562 18.410 19.000 -0.047 0.000 0.821 85 A HN 0.124 nan 8.150 nan 0.000 0.443 86 V N 1.189 120.997 119.914 -0.176 0.000 2.343 86 V HA -0.277 3.847 4.120 0.007 0.000 0.247 86 V C 2.321 178.352 176.094 -0.104 0.000 1.051 86 V CA 2.177 64.361 62.300 -0.194 0.000 1.036 86 V CB -1.006 30.630 31.823 -0.312 0.000 0.654 86 V HN 0.551 nan 8.190 nan 0.000 0.451 87 N N -0.121 118.538 118.700 -0.068 0.000 2.058 87 N HA -0.204 4.540 4.740 0.007 0.000 0.191 87 N C 1.873 177.365 175.510 -0.031 0.000 1.037 87 N CA 1.894 54.924 53.050 -0.033 0.000 0.848 87 N CB -0.693 37.791 38.487 -0.005 0.000 1.021 87 N HN 0.635 nan 8.380 nan 0.000 0.422 88 H N 0.378 119.364 119.070 -0.141 0.000 2.422 88 H HA 0.054 4.614 4.556 0.007 0.000 0.298 88 H C 1.405 176.629 175.328 -0.174 0.000 1.098 88 H CA 1.759 57.697 56.048 -0.182 0.000 1.315 88 H CB -0.126 29.473 29.762 -0.271 0.000 1.382 88 H HN 0.272 nan 8.280 nan 0.000 0.523 89 A N -0.687 122.047 122.820 -0.145 0.000 2.275 89 A HA 0.071 4.395 4.320 0.007 0.000 0.212 89 A C 0.729 178.218 177.584 -0.157 0.000 1.201 89 A CA 0.395 52.322 52.037 -0.182 0.000 0.843 89 A CB 0.048 18.969 19.000 -0.131 0.000 0.873 89 A HN 0.629 nan 8.150 nan 0.000 0.492 90 N N -1.295 117.326 118.700 -0.132 0.000 2.735 90 N HA -0.169 4.575 4.740 0.007 0.000 0.248 90 N C -0.407 175.045 175.510 -0.097 0.000 1.083 90 N CA 0.784 53.771 53.050 -0.104 0.000 0.703 90 N CB -1.266 37.157 38.487 -0.106 0.000 1.005 90 N HN 0.464 nan 8.380 nan 0.000 0.550 91 L N 1.708 122.866 121.223 -0.107 0.000 2.315 91 L HA 0.222 4.566 4.340 0.007 0.000 0.283 91 L C -0.136 176.675 176.870 -0.099 0.000 1.089 91 L CA 0.024 54.791 54.840 -0.122 0.000 0.833 91 L CB 0.641 42.597 42.059 -0.172 0.000 1.170 91 L HN -0.040 nan 8.230 nan 0.000 0.442 92 D N 4.893 125.240 120.400 -0.088 0.000 2.468 92 D HA 0.075 4.719 4.640 0.007 0.000 0.218 92 D C 1.431 177.690 176.300 -0.069 0.000 1.155 92 D CA -0.052 53.913 54.000 -0.057 0.000 0.924 92 D CB 1.540 42.312 40.800 -0.047 0.000 1.029 92 D HN 0.385 nan 8.370 nan 0.000 0.515 93 V N 2.374 122.262 119.914 -0.043 0.000 2.370 93 V HA -0.310 3.814 4.120 0.007 0.000 0.252 93 V C 2.261 178.364 176.094 0.015 0.000 1.068 93 V CA 1.782 64.069 62.300 -0.021 0.000 1.061 93 V CB -0.132 31.792 31.823 0.168 0.000 0.656 93 V HN 0.406 nan 8.190 nan 0.000 0.455 94 E N 0.039 120.252 120.200 0.022 0.000 2.118 94 E HA -0.141 4.213 4.350 0.007 0.000 0.195 94 E C 2.001 178.604 176.600 0.004 0.000 0.992 94 E CA 1.425 57.839 56.400 0.023 0.000 0.804 94 E CB -0.408 29.301 29.700 0.014 0.000 0.741 94 E HN 0.617 nan 8.360 nan 0.000 0.458 95 A N -0.328 122.479 122.820 -0.022 0.000 2.275 95 A HA 0.196 4.520 4.320 0.007 0.000 0.212 95 A C 0.465 178.024 177.584 -0.041 0.000 1.201 95 A CA -0.113 51.903 52.037 -0.035 0.000 0.843 95 A CB -0.135 18.833 19.000 -0.054 0.000 0.873 95 A HN 0.098 nan 8.150 nan 0.000 0.492 96 L N -0.020 121.182 121.223 -0.035 0.000 2.421 96 L HA 0.231 4.575 4.340 0.007 0.000 0.263 96 L C 0.419 177.311 176.870 0.036 0.000 1.122 96 L CA -0.885 53.942 54.840 -0.021 0.000 0.804 96 L CB 0.481 42.476 42.059 -0.106 0.000 1.150 96 L HN 0.188 nan 8.230 nan 0.000 0.457 97 N N 1.819 120.558 118.700 0.064 0.000 2.406 97 N HA -0.018 4.727 4.740 0.007 0.000 0.269 97 N C 0.854 176.446 175.510 0.138 0.000 1.210 97 N CA 0.043 53.145 53.050 0.087 0.000 0.966 97 N CB 0.537 39.075 38.487 0.085 0.000 1.293 97 N HN 0.398 nan 8.380 nan 0.000 0.491 98 R N 2.019 122.608 120.500 0.148 0.000 2.193 98 R HA -0.065 4.279 4.340 0.007 0.000 0.229 98 R C 0.397 176.809 176.300 0.187 0.000 1.110 98 R CA 0.778 57.011 56.100 0.223 0.000 0.988 98 R CB -0.107 30.298 30.300 0.175 0.000 0.871 98 R HN 0.598 nan 8.270 nan 0.000 0.458 99 D N 0.086 120.565 120.400 0.130 0.000 2.317 99 D HA -0.051 4.593 4.640 0.007 0.000 0.211 99 D C 1.093 177.462 176.300 0.114 0.000 0.966 99 D CA 0.610 54.671 54.000 0.102 0.000 0.876 99 D CB 0.167 41.014 40.800 0.077 0.000 0.927 99 D HN 0.071 nan 8.370 nan 0.000 0.519 100 R N 0.041 120.628 120.500 0.145 0.000 2.507 100 R HA 0.125 4.469 4.340 0.007 0.000 0.298 100 R C -0.192 176.227 176.300 0.198 0.000 0.999 100 R CA -0.378 55.806 56.100 0.141 0.000 1.082 100 R CB 0.151 30.521 30.300 0.118 0.000 1.246 100 R HN 0.028 nan 8.270 nan 0.000 0.553 101 F N 0.773 120.738 119.950 0.025 0.000 2.402 101 F HA 0.671 5.206 4.527 0.013 0.000 0.355 101 F C -0.136 175.673 175.800 0.015 0.000 1.123 101 F CA -1.673 56.331 58.000 0.007 0.000 1.021 101 F CB 1.299 40.313 39.000 0.024 0.000 1.160 101 F HN 0.018 nan 8.300 nan 0.000 0.451 102 G N 3.831 112.606 108.800 -0.042 0.000 2.714 102 G HA2 0.672 4.636 3.960 0.007 0.000 0.292 102 G HA3 0.672 4.636 3.960 0.007 0.000 0.292 102 G C -2.183 172.586 174.900 -0.220 0.000 1.308 102 G CA -0.909 44.080 45.100 -0.184 0.000 0.964 102 G HN 0.536 nan 8.290 nan 0.000 0.484 103 V N 0.519 120.335 119.914 -0.164 0.000 2.686 103 V HA 0.522 4.647 4.120 0.007 0.000 0.306 103 V C -0.739 175.325 176.094 -0.049 0.000 1.065 103 V CA -0.465 61.767 62.300 -0.114 0.000 0.894 103 V CB 1.697 33.441 31.823 -0.131 0.000 1.004 103 V HN 0.622 nan 8.190 nan 0.000 0.424 104 I N 4.780 125.339 120.570 -0.020 0.000 2.478 104 I HA 0.530 4.705 4.170 0.007 0.000 0.287 104 I C -1.038 175.088 176.117 0.015 0.000 1.042 104 I CA -0.802 60.497 61.300 -0.001 0.000 1.067 104 I CB 2.242 40.243 38.000 0.003 0.000 1.233 104 I HN 0.261 nan 8.210 nan 0.000 0.431 105 V N 5.519 125.450 119.914 0.028 0.000 2.376 105 V HA 0.562 4.686 4.120 0.007 0.000 0.287 105 V C 0.443 176.580 176.094 0.072 0.000 1.015 105 V CA -0.569 61.760 62.300 0.048 0.000 0.834 105 V CB 1.524 33.373 31.823 0.044 0.000 1.001 105 V HN 0.821 nan 8.190 nan 0.000 0.428 106 A N 3.752 126.616 122.820 0.072 0.000 2.340 106 A HA 0.828 5.152 4.320 0.007 0.000 0.268 106 A C 0.212 177.865 177.584 0.115 0.000 1.100 106 A CA -0.135 51.949 52.037 0.078 0.000 0.803 106 A CB 1.094 20.130 19.000 0.060 0.000 1.043 106 A HN 0.933 nan 8.150 nan 0.000 0.488 107 S N 0.027 115.791 115.700 0.106 0.000 2.543 107 S HA 0.526 5.000 4.470 0.007 0.000 0.273 107 S C 0.771 175.405 174.600 0.055 0.000 1.152 107 S CA 0.093 58.360 58.200 0.111 0.000 0.910 107 S CB 1.168 64.472 63.200 0.174 0.000 1.105 107 S HN 1.385 nan 8.310 nan 0.000 0.465 108 G N 2.484 111.316 108.800 0.053 0.000 2.453 108 G HA2 0.142 4.106 3.960 0.007 0.000 0.215 108 G HA3 0.142 4.106 3.960 0.007 0.000 0.215 108 G C 0.860 175.773 174.900 0.022 0.000 1.147 108 G CA 0.600 45.728 45.100 0.047 0.000 0.802 108 G HN 0.716 nan 8.290 nan 0.000 0.535 109 I N -0.499 120.065 120.570 -0.011 0.000 4.456 109 I HA 0.282 4.456 4.170 0.007 0.000 0.329 109 I C 1.565 177.571 176.117 -0.184 0.000 1.313 109 I CA 0.240 61.512 61.300 -0.047 0.000 1.205 109 I CB 0.251 38.260 38.000 0.014 0.000 1.179 109 I HN 0.300 nan 8.210 nan 0.000 0.419 110 G N 1.814 110.401 108.800 -0.356 0.000 2.569 110 G HA2 -0.258 3.706 3.960 0.007 0.000 0.259 110 G HA3 -0.258 3.706 3.960 0.007 0.000 0.259 110 G C 0.462 174.824 174.900 -0.897 0.000 1.263 110 G CA -0.177 44.387 45.100 -0.894 0.000 0.928 110 G HN 0.528 nan 8.290 nan 0.000 0.572 111 G N -0.969 107.364 108.800 -0.778 0.000 3.506 111 G HA2 0.510 4.474 3.960 0.007 0.000 0.268 111 G HA3 0.510 4.474 3.960 0.007 0.000 0.268 111 G C 1.033 175.853 174.900 -0.133 0.000 0.959 111 G CA 0.604 45.534 45.100 -0.284 0.000 1.823 111 G HN 0.954 nan 8.290 nan 0.000 0.615 112 I N 0.889 121.391 120.570 -0.113 0.000 2.493 112 I HA -0.014 4.161 4.170 0.007 0.000 0.254 112 I C 2.424 178.528 176.117 -0.022 0.000 1.160 112 I CA 1.137 62.410 61.300 -0.044 0.000 1.445 112 I CB 0.061 38.080 38.000 0.032 0.000 1.086 112 I HN 0.373 nan 8.210 nan 0.000 0.433 113 K N 0.219 120.614 120.400 -0.008 0.000 2.057 113 K HA -0.274 4.050 4.320 0.007 0.000 0.207 113 K C 2.136 178.725 176.600 -0.019 0.000 1.049 113 K CA 1.800 58.084 56.287 -0.005 0.000 0.931 113 K CB -0.135 32.370 32.500 0.008 0.000 0.714 113 K HN 0.288 nan 8.250 nan 0.000 0.440 114 E N 1.024 121.215 120.200 -0.015 0.000 2.051 114 E HA -0.167 4.187 4.350 0.007 0.000 0.192 114 E C 1.813 178.389 176.600 -0.041 0.000 0.991 114 E CA 1.541 57.931 56.400 -0.016 0.000 0.799 114 E CB -0.194 29.509 29.700 0.005 0.000 0.748 114 E HN 0.377 nan 8.360 nan 0.000 0.449 115 I N 0.648 121.180 120.570 -0.062 0.000 2.127 115 I HA -0.290 3.884 4.170 0.007 0.000 0.241 115 I C 2.633 178.674 176.117 -0.126 0.000 1.075 115 I CA 1.810 63.053 61.300 -0.095 0.000 1.334 115 I CB -0.435 37.491 38.000 -0.122 0.000 1.040 115 I HN 0.306 nan 8.210 nan 0.000 0.405 116 E N 1.122 121.233 120.200 -0.148 0.000 2.048 116 E HA -0.314 4.040 4.350 0.007 0.000 0.202 116 E C 1.752 178.293 176.600 -0.098 0.000 1.021 116 E CA 2.208 58.508 56.400 -0.166 0.000 0.825 116 E CB -0.021 29.608 29.700 -0.118 0.000 0.756 116 E HN 0.415 nan 8.360 nan 0.000 0.454 117 D N 0.097 120.462 120.400 -0.059 0.000 2.104 117 D HA -0.176 4.468 4.640 0.007 0.000 0.194 117 D C 2.075 178.354 176.300 -0.035 0.000 0.994 117 D CA 1.031 55.010 54.000 -0.035 0.000 0.830 117 D CB -0.329 40.460 40.800 -0.019 0.000 0.959 117 D HN 0.241 nan 8.370 nan 0.000 0.452 118 Q N 0.198 119.973 119.800 -0.041 0.000 2.297 118 Q HA -0.005 4.340 4.340 0.007 0.000 0.204 118 Q C 2.433 178.411 176.000 -0.036 0.000 0.962 118 Q CA 0.182 55.965 55.803 -0.033 0.000 0.879 118 Q CB -0.151 28.567 28.738 -0.033 0.000 0.947 118 Q HN 0.228 nan 8.270 nan 0.000 0.462 119 V N 0.963 120.842 119.914 -0.058 0.000 2.358 119 V HA -0.229 3.896 4.120 0.007 0.000 0.246 119 V C 2.333 178.416 176.094 -0.018 0.000 1.047 119 V CA 1.273 63.539 62.300 -0.056 0.000 1.035 119 V CB -0.517 31.240 31.823 -0.111 0.000 0.658 119 V HN 0.236 nan 8.190 nan 0.000 0.452 120 L N -0.100 121.107 121.223 -0.027 0.000 2.046 120 L HA -0.177 4.167 4.340 0.007 0.000 0.208 120 L C 2.724 179.613 176.870 0.032 0.000 1.077 120 L CA 2.060 56.900 54.840 0.001 0.000 0.747 120 L CB -0.654 41.396 42.059 -0.015 0.000 0.896 120 L HN 0.293 nan 8.230 nan 0.000 0.432 121 R N 0.475 120.982 120.500 0.011 0.000 2.092 121 R HA -0.195 4.149 4.340 0.007 0.000 0.231 121 R C 2.350 178.657 176.300 0.011 0.000 1.119 121 R CA 1.364 57.471 56.100 0.012 0.000 0.970 121 R CB -0.369 29.930 30.300 -0.001 0.000 0.864 121 R HN 0.227 nan 8.270 nan 0.000 0.440 122 L N 1.012 122.239 121.223 0.006 0.000 2.043 122 L HA -0.233 4.111 4.340 0.007 0.000 0.212 122 L C 2.395 179.259 176.870 -0.010 0.000 1.075 122 L CA 2.067 56.902 54.840 -0.008 0.000 0.752 122 L CB -0.921 41.131 42.059 -0.011 0.000 0.891 122 L HN 0.326 nan 8.230 nan 0.000 0.432 123 H N -0.422 118.629 119.070 -0.031 0.000 2.363 123 H HA -0.097 4.462 4.556 0.006 0.000 0.301 123 H C 2.080 177.395 175.328 -0.021 0.000 1.074 123 H CA 1.965 57.997 56.048 -0.027 0.000 1.354 123 H CB 0.331 30.075 29.762 -0.030 0.000 1.397 123 H HN 0.517 nan 8.280 nan 0.000 0.516 124 E N -0.094 120.175 120.200 0.116 0.000 2.072 124 E HA -0.093 4.261 4.350 0.007 0.000 0.191 124 E C 1.645 178.249 176.600 0.007 0.000 0.985 124 E CA 0.983 57.427 56.400 0.073 0.000 0.801 124 E CB 0.340 30.074 29.700 0.057 0.000 0.750 124 E HN 0.225 nan 8.360 nan 0.000 0.452 125 K N -0.776 119.617 120.400 -0.010 0.000 2.402 125 K HA 0.238 4.562 4.320 0.007 0.000 0.204 125 K C 0.349 176.927 176.600 -0.036 0.000 1.056 125 K CA 0.598 56.873 56.287 -0.021 0.000 1.069 125 K CB 1.725 34.219 32.500 -0.010 0.000 0.888 125 K HN 0.201 nan 8.250 nan 0.000 0.546 126 G N 2.889 111.656 108.800 -0.055 0.000 2.781 126 G HA2 -0.183 3.781 3.960 0.007 0.000 0.683 126 G HA3 -0.183 3.781 3.960 0.007 0.000 0.683 126 G C -2.140 172.734 174.900 -0.043 0.000 1.390 126 G CA -0.445 44.619 45.100 -0.060 0.000 0.850 126 G HN -0.110 nan 8.290 nan 0.000 0.557 127 P HA -0.049 nan 4.420 nan 0.000 0.221 127 P C 1.421 178.705 177.300 -0.026 0.000 1.150 127 P CA 1.336 64.416 63.100 -0.033 0.000 0.800 127 P CB 0.002 31.683 31.700 -0.033 0.000 0.787 128 K N -0.452 119.933 120.400 -0.025 0.000 2.360 128 K HA -0.086 4.239 4.320 0.007 0.000 0.201 128 K C 1.890 178.479 176.600 -0.018 0.000 1.046 128 K CA 0.816 57.091 56.287 -0.020 0.000 0.945 128 K CB -0.137 32.351 32.500 -0.019 0.000 0.750 128 K HN -0.028 nan 8.250 nan 0.000 0.464 129 R N 0.520 121.009 120.500 -0.019 0.000 2.334 129 R HA 0.136 4.481 4.340 0.007 0.000 0.212 129 R C -0.134 176.157 176.300 -0.015 0.000 0.897 129 R CA -0.099 55.992 56.100 -0.016 0.000 1.056 129 R CB 0.224 30.515 30.300 -0.015 0.000 1.046 129 R HN -0.122 nan 8.270 nan 0.000 0.513 130 V N 2.245 122.148 119.914 -0.018 0.000 2.673 130 V HA -0.018 4.106 4.120 0.007 0.000 0.303 130 V C 0.670 176.754 176.094 -0.016 0.000 1.046 130 V CA 0.149 62.439 62.300 -0.018 0.000 1.126 130 V CB 0.599 32.410 31.823 -0.020 0.000 0.934 130 V HN 0.122 nan 8.190 nan 0.000 0.487 131 K N 5.982 126.373 120.400 -0.016 0.000 2.298 131 K HA 0.187 4.511 4.320 0.007 0.000 0.280 131 K C -1.547 175.043 176.600 -0.017 0.000 1.032 131 K CA -1.240 55.038 56.287 -0.016 0.000 0.958 131 K CB 0.833 33.324 32.500 -0.015 0.000 0.978 131 K HN 0.388 nan 8.250 nan 0.000 0.472 132 P HA -0.158 nan 4.420 nan 0.000 0.217 132 P C 0.686 177.974 177.300 -0.020 0.000 1.148 132 P CA 1.256 64.345 63.100 -0.018 0.000 0.828 132 P CB 0.257 31.945 31.700 -0.020 0.000 0.783 133 M N -1.817 117.768 119.600 -0.024 0.000 2.563 133 M HA 0.064 4.548 4.480 0.007 0.000 0.231 133 M C 1.324 177.616 176.300 -0.013 0.000 1.136 133 M CA 0.893 56.177 55.300 -0.027 0.000 1.026 133 M CB -1.345 31.228 32.600 -0.045 0.000 1.597 133 M HN -0.068 nan 8.290 nan 0.000 0.495 134 T N 1.480 116.027 114.554 -0.011 0.000 2.595 134 T HA -0.134 4.220 4.350 0.007 0.000 0.264 134 T C 1.967 176.669 174.700 0.003 0.000 1.058 134 T CA 1.362 63.458 62.100 -0.007 0.000 1.166 134 T CB -0.211 68.648 68.868 -0.014 0.000 0.863 134 T HN 0.363 nan 8.240 nan 0.000 0.415 135 L N 0.703 121.927 121.223 0.001 0.000 2.056 135 L HA -0.032 4.312 4.340 0.007 0.000 0.207 135 L C -0.510 176.378 176.870 0.031 0.000 1.078 135 L CA 1.219 56.065 54.840 0.009 0.000 0.749 135 L CB -1.828 40.231 42.059 0.002 0.000 0.901 135 L HN 0.200 nan 8.230 nan 0.000 0.433 136 P HA -0.180 nan 4.420 nan 0.000 0.218 136 P C 1.284 178.632 177.300 0.080 0.000 1.146 136 P CA 1.431 64.555 63.100 0.041 0.000 0.813 136 P CB 0.018 31.724 31.700 0.009 0.000 0.778 137 K N -1.489 118.955 120.400 0.074 0.000 2.262 137 K HA 0.192 4.516 4.320 0.007 0.000 0.200 137 K C 1.910 178.631 176.600 0.203 0.000 1.049 137 K CA 0.991 57.355 56.287 0.128 0.000 0.979 137 K CB -0.057 32.488 32.500 0.075 0.000 0.773 137 K HN 0.050 nan 8.250 nan 0.000 0.474 138 A N 1.223 124.111 122.820 0.113 0.000 1.973 138 A HA 0.170 4.494 4.320 0.007 0.000 0.210 138 A C 0.950 178.527 177.584 -0.011 0.000 1.200 138 A CA -0.110 51.952 52.037 0.042 0.000 0.707 138 A CB -0.105 18.890 19.000 -0.010 0.000 0.862 138 A HN 0.068 nan 8.150 nan 0.000 0.461 139 L N 0.738 121.985 121.223 0.040 0.000 2.559 139 L HA 0.071 4.415 4.340 0.007 0.000 0.274 139 L C -1.623 175.279 176.870 0.053 0.000 1.205 139 L CA -1.160 53.693 54.840 0.021 0.000 0.907 139 L CB 0.450 42.533 42.059 0.040 0.000 1.153 139 L HN 0.123 nan 8.230 nan 0.000 0.490 140 P HA -0.153 nan 4.420 nan 0.000 0.223 140 P C 0.869 178.271 177.300 0.170 0.000 1.144 140 P CA 1.019 64.106 63.100 -0.022 0.000 0.783 140 P CB -0.033 31.636 31.700 -0.052 0.000 0.771 141 N N -1.539 117.242 118.700 0.135 0.000 2.415 141 N HA -0.043 4.701 4.740 0.007 0.000 0.176 141 N C 1.313 176.906 175.510 0.139 0.000 1.042 141 N CA 0.810 53.932 53.050 0.120 0.000 0.902 141 N CB -0.671 37.856 38.487 0.068 0.000 0.986 141 N HN 0.051 nan 8.380 nan 0.000 0.447 142 M N 1.310 121.025 119.600 0.191 0.000 2.213 142 M HA 0.039 4.524 4.480 0.007 0.000 0.263 142 M C 2.327 178.665 176.300 0.062 0.000 1.062 142 M CA 1.000 56.386 55.300 0.143 0.000 1.105 142 M CB -1.294 31.414 32.600 0.179 0.000 1.385 142 M HN 0.299 nan 8.290 nan 0.000 0.417 143 A N 0.721 123.536 122.820 -0.007 0.000 1.908 143 A HA -0.169 4.155 4.320 0.007 0.000 0.218 143 A C 2.458 180.004 177.584 -0.064 0.000 1.181 143 A CA 2.497 54.410 52.037 -0.206 0.000 0.627 143 A CB -0.928 17.829 19.000 -0.404 0.000 0.818 143 A HN 0.614 nan 8.150 nan 0.000 0.445 144 S N -0.503 115.202 115.700 0.009 0.000 2.383 144 S HA 0.017 4.491 4.470 0.007 0.000 0.227 144 S C 2.010 176.613 174.600 0.006 0.000 1.026 144 S CA 1.386 59.593 58.200 0.011 0.000 0.981 144 S CB -1.074 62.140 63.200 0.023 0.000 0.818 144 S HN 0.673 nan 8.310 nan 0.000 0.472 145 G N 2.104 110.915 108.800 0.019 0.000 2.408 145 G HA2 -0.137 3.827 3.960 0.007 0.000 0.217 145 G HA3 -0.137 3.827 3.960 0.007 0.000 0.217 145 G C 1.521 176.438 174.900 0.028 0.000 1.150 145 G CA 0.639 45.751 45.100 0.021 0.000 0.776 145 G HN 0.526 nan 8.290 nan 0.000 0.542 146 N N 0.611 119.331 118.700 0.033 0.000 2.106 146 N HA -0.102 4.642 4.740 0.007 0.000 0.188 146 N C 2.366 177.871 175.510 -0.008 0.000 1.029 146 N CA 1.161 54.237 53.050 0.043 0.000 0.848 146 N CB -0.574 37.917 38.487 0.006 0.000 1.007 146 N HN 0.172 nan 8.380 nan 0.000 0.423 147 V N 1.811 121.724 119.914 -0.001 0.000 2.332 147 V HA -0.206 3.918 4.120 0.007 0.000 0.248 147 V C 2.459 178.631 176.094 0.129 0.000 1.055 147 V CA 1.835 64.194 62.300 0.097 0.000 1.038 147 V CB -0.974 30.911 31.823 0.104 0.000 0.651 147 V HN 0.298 nan 8.190 nan 0.000 0.450 148 A N -0.884 121.955 122.820 0.032 0.000 1.902 148 A HA -0.211 4.113 4.320 0.007 0.000 0.217 148 A C 2.263 179.847 177.584 -0.000 0.000 1.181 148 A CA 2.070 54.096 52.037 -0.019 0.000 0.623 148 A CB -0.452 18.514 19.000 -0.058 0.000 0.818 148 A HN 0.472 nan 8.150 nan 0.000 0.443 149 M N -1.483 118.116 119.600 -0.003 0.000 2.086 149 M HA -0.160 4.324 4.480 0.007 0.000 0.261 149 M C 2.438 178.696 176.300 -0.070 0.000 1.067 149 M CA 1.821 57.114 55.300 -0.011 0.000 1.116 149 M CB -0.324 32.286 32.600 0.016 0.000 1.348 149 M HN 0.487 nan 8.290 nan 0.000 0.407 150 R N -0.110 120.290 120.500 -0.167 0.000 2.103 150 R HA -0.165 4.179 4.340 0.007 0.000 0.242 150 R C 1.048 176.985 176.300 -0.605 0.000 1.142 150 R CA 1.726 57.544 56.100 -0.469 0.000 0.960 150 R CB -0.044 29.797 30.300 -0.765 0.000 0.858 150 R HN 0.295 nan 8.270 nan 0.000 0.439 151 F N -0.894 119.076 119.950 0.034 0.000 2.653 151 F HA 0.334 4.863 4.527 0.003 0.000 0.304 151 F C 1.167 177.062 175.800 0.159 0.000 1.092 151 F CA 0.203 58.273 58.000 0.117 0.000 1.279 151 F CB 1.182 40.310 39.000 0.214 0.000 1.044 151 F HN 0.193 nan 8.300 nan 0.000 0.564 152 G N 1.537 110.433 108.800 0.159 0.000 2.305 152 G HA2 -0.194 3.770 3.960 0.007 0.000 0.287 152 G HA3 -0.194 3.770 3.960 0.007 0.000 0.287 152 G C 0.264 175.242 174.900 0.130 0.000 1.036 152 G CA 0.118 45.298 45.100 0.133 0.000 0.887 152 G HN 0.643 nan 8.290 nan 0.000 0.505 153 A N -0.033 122.756 122.820 -0.051 0.000 2.410 153 A HA 0.581 4.905 4.320 0.007 0.000 0.292 153 A C 1.121 178.618 177.584 -0.146 0.000 1.232 153 A CA -0.091 51.731 52.037 -0.358 0.000 0.893 153 A CB 0.144 18.596 19.000 -0.915 0.000 1.131 153 A HN 0.344 nan 8.150 nan 0.000 0.530 154 N N 2.413 121.095 118.700 -0.029 0.000 2.236 154 N HA 0.057 4.801 4.740 0.007 0.000 0.196 154 N C 1.087 176.597 175.510 0.001 0.000 1.114 154 N CA 0.727 53.777 53.050 -0.001 0.000 0.859 154 N CB 0.763 39.273 38.487 0.039 0.000 0.982 154 N HN 0.719 nan 8.380 nan 0.000 0.493 155 G N 0.323 109.115 108.800 -0.014 0.000 2.735 155 G HA2 0.228 4.192 3.960 0.007 0.000 0.192 155 G HA3 0.228 4.192 3.960 0.007 0.000 0.192 155 G C -0.039 174.847 174.900 -0.023 0.000 1.547 155 G CA -0.287 44.817 45.100 0.007 0.000 1.080 155 G HN -0.030 nan 8.290 nan 0.000 0.569 156 V N -0.431 119.474 119.914 -0.015 0.000 2.599 156 V HA 0.317 4.441 4.120 0.007 0.000 0.300 156 V C 0.200 176.265 176.094 -0.049 0.000 1.034 156 V CA -0.100 62.184 62.300 -0.027 0.000 1.115 156 V CB 0.532 32.345 31.823 -0.017 0.000 0.934 156 V HN 0.665 nan 8.190 nan 0.000 0.485 157 C N 7.594 126.870 119.300 -0.040 0.000 2.505 157 C HA 0.758 5.222 4.460 0.007 0.000 0.342 157 C C -0.423 174.554 174.990 -0.020 0.000 1.121 157 C CA -0.767 58.228 59.018 -0.039 0.000 1.306 157 C CB 0.358 28.072 27.740 -0.043 0.000 1.897 157 C HN 1.115 nan 8.230 nan 0.000 0.446 158 K N 3.273 123.665 120.400 -0.012 0.000 2.556 158 K HA 0.780 5.104 4.320 0.007 0.000 0.289 158 K C -1.449 175.159 176.600 0.014 0.000 1.040 158 K CA -0.420 55.867 56.287 0.001 0.000 0.894 158 K CB 1.505 34.002 32.500 -0.005 0.000 1.547 158 K HN 0.496 nan 8.250 nan 0.000 0.417 159 S N 0.136 115.850 115.700 0.024 0.000 2.566 159 S HA 0.703 5.177 4.470 0.007 0.000 0.298 159 S C -0.969 173.647 174.600 0.027 0.000 1.083 159 S CA -0.906 57.317 58.200 0.037 0.000 0.978 159 S CB 0.690 63.926 63.200 0.061 0.000 1.073 159 S HN 0.499 nan 8.310 nan 0.000 0.491 160 I N 3.280 123.866 120.570 0.028 0.000 2.689 160 I HA 0.473 4.647 4.170 0.007 0.000 0.299 160 I C -0.758 175.364 176.117 0.009 0.000 1.059 160 I CA -0.841 60.468 61.300 0.015 0.000 1.055 160 I CB 2.238 40.248 38.000 0.017 0.000 1.243 160 I HN 0.503 nan 8.210 nan 0.000 0.425 161 N N 3.110 121.799 118.700 -0.018 0.000 2.540 161 N HA 0.299 5.043 4.740 0.007 0.000 0.275 161 N C -0.689 174.743 175.510 -0.130 0.000 1.053 161 N CA -0.339 52.689 53.050 -0.036 0.000 0.876 161 N CB 1.443 39.921 38.487 -0.016 0.000 1.284 161 N HN 0.678 nan 8.380 nan 0.000 0.518 162 T N 1.147 115.597 114.554 -0.173 0.000 3.448 162 T HA 0.616 4.970 4.350 0.007 0.000 0.271 162 T C 0.855 175.472 174.700 -0.139 0.000 1.002 162 T CA 0.206 62.038 62.100 -0.447 0.000 0.995 162 T CB 0.070 68.705 68.868 -0.387 0.000 1.153 162 T HN 0.637 nan 8.240 nan 0.000 0.510 163 A N 0.886 123.709 122.820 0.004 0.000 5.308 163 A HA -0.325 3.999 4.320 0.007 0.000 0.321 163 A C 2.003 179.680 177.584 0.154 0.000 1.849 163 A CA 1.495 53.619 52.037 0.145 0.000 0.713 163 A CB -2.009 17.170 19.000 0.297 0.000 1.360 163 A HN 1.026 nan 8.150 nan 0.000 0.384 164 C N -0.086 119.358 119.300 0.241 0.000 2.437 164 C HA 0.218 4.682 4.460 0.007 0.000 0.283 164 C C 2.722 177.824 174.990 0.186 0.000 1.424 164 C CA 1.237 60.425 59.018 0.283 0.000 1.782 164 C CB -1.420 26.611 27.740 0.485 0.000 1.833 164 C HN 0.667 nan 8.230 nan 0.000 0.532 165 S N 0.545 116.316 115.700 0.117 0.000 2.556 165 S HA -0.004 4.470 4.470 0.007 0.000 0.216 165 S C 1.826 176.465 174.600 0.064 0.000 0.970 165 S CA 0.183 58.426 58.200 0.070 0.000 0.912 165 S CB -0.089 63.163 63.200 0.087 0.000 0.790 165 S HN 0.658 nan 8.310 nan 0.000 0.504 166 S N 2.199 117.932 115.700 0.055 0.000 2.389 166 S HA -0.157 4.317 4.470 0.007 0.000 0.231 166 S C 2.071 176.698 174.600 0.045 0.000 1.052 166 S CA 1.668 59.891 58.200 0.038 0.000 1.053 166 S CB -0.366 62.860 63.200 0.044 0.000 0.886 166 S HN 0.520 nan 8.310 nan 0.000 0.456 167 S N 1.102 116.837 115.700 0.057 0.000 2.387 167 S HA 0.003 4.477 4.470 0.007 0.000 0.226 167 S C 1.725 176.343 174.600 0.029 0.000 1.026 167 S CA 0.520 58.749 58.200 0.048 0.000 0.972 167 S CB -0.395 62.843 63.200 0.063 0.000 0.814 167 S HN 0.518 nan 8.310 nan 0.000 0.477 168 N N 0.949 119.673 118.700 0.039 0.000 2.084 168 N HA -0.127 4.617 4.740 0.007 0.000 0.190 168 N C 1.092 176.580 175.510 -0.037 0.000 1.030 168 N CA 1.295 54.358 53.050 0.022 0.000 0.849 168 N CB -0.093 38.428 38.487 0.057 0.000 1.012 168 N HN 0.346 nan 8.380 nan 0.000 0.423 169 D N 0.771 121.195 120.400 0.041 0.000 2.178 169 D HA -0.106 4.538 4.640 0.007 0.000 0.201 169 D C 1.814 178.068 176.300 -0.076 0.000 0.980 169 D CA 0.619 54.650 54.000 0.053 0.000 0.842 169 D CB -0.089 40.800 40.800 0.148 0.000 0.948 169 D HN 0.280 nan 8.370 nan 0.000 0.472 170 A N 0.972 123.769 122.820 -0.039 0.000 1.902 170 A HA -0.127 4.198 4.320 0.007 0.000 0.217 170 A C 2.334 179.875 177.584 -0.072 0.000 1.181 170 A CA 0.827 52.843 52.037 -0.033 0.000 0.623 170 A CB -0.613 18.389 19.000 0.003 0.000 0.818 170 A HN 0.159 nan 8.150 nan 0.000 0.443 171 I N -0.404 120.109 120.570 -0.096 0.000 2.353 171 I HA -0.138 4.036 4.170 0.007 0.000 0.248 171 I C 2.656 178.652 176.117 -0.202 0.000 1.119 171 I CA 0.926 62.171 61.300 -0.093 0.000 1.417 171 I CB -0.517 37.453 38.000 -0.050 0.000 1.078 171 I HN 0.389 nan 8.210 nan 0.000 0.421 172 G N 0.275 108.748 108.800 -0.545 0.000 2.422 172 G HA2 -0.310 3.654 3.960 0.007 0.000 0.218 172 G HA3 -0.310 3.654 3.960 0.007 0.000 0.218 172 G C 1.251 175.891 174.900 -0.433 0.000 1.146 172 G CA 1.206 45.626 45.100 -1.133 0.000 0.769 172 G HN 0.325 nan 8.290 nan 0.000 0.547 173 D N 0.214 120.464 120.400 -0.251 0.000 2.117 173 D HA 0.087 4.731 4.640 0.007 0.000 0.198 173 D C 2.750 179.071 176.300 0.035 0.000 0.982 173 D CA 1.237 55.231 54.000 -0.009 0.000 0.828 173 D CB -0.143 40.658 40.800 0.003 0.000 0.967 173 D HN 0.254 nan 8.370 nan 0.000 0.464 174 A N -0.230 122.606 122.820 0.027 0.000 1.930 174 A HA -0.095 4.229 4.320 0.007 0.000 0.217 174 A C 2.005 179.652 177.584 0.105 0.000 1.175 174 A CA 0.927 52.999 52.037 0.059 0.000 0.627 174 A CB -1.017 18.012 19.000 0.048 0.000 0.815 174 A HN 0.406 nan 8.150 nan 0.000 0.443 175 F N 1.173 121.107 119.950 -0.027 0.000 2.043 175 F HA -0.232 4.296 4.527 0.001 0.000 0.297 175 F C 2.308 178.160 175.800 0.087 0.000 1.121 175 F CA 2.136 60.134 58.000 -0.002 0.000 1.199 175 F CB -0.312 38.650 39.000 -0.063 0.000 0.968 175 F HN 0.079 nan 8.300 nan 0.000 0.478 176 R N -0.005 120.394 120.500 -0.168 0.000 2.115 176 R HA -0.116 4.229 4.340 0.007 0.000 0.230 176 R C 2.594 179.006 176.300 0.188 0.000 1.111 176 R CA 1.156 57.228 56.100 -0.047 0.000 0.976 176 R CB -1.284 29.125 30.300 0.182 0.000 0.870 176 R HN 0.390 nan 8.270 nan 0.000 0.445 177 S N 0.680 116.465 115.700 0.142 0.000 2.383 177 S HA -0.010 4.464 4.470 0.007 0.000 0.227 177 S C 1.959 176.697 174.600 0.231 0.000 1.026 177 S CA 0.740 59.084 58.200 0.239 0.000 0.981 177 S CB 0.039 63.320 63.200 0.136 0.000 0.818 177 S HN 0.191 nan 8.310 nan 0.000 0.472 178 I N 0.881 121.500 120.570 0.083 0.000 2.400 178 I HA -0.046 4.128 4.170 0.007 0.000 0.248 178 I C 2.471 178.547 176.117 -0.068 0.000 1.109 178 I CA 0.856 62.167 61.300 0.019 0.000 1.425 178 I CB -0.303 37.699 38.000 0.004 0.000 1.094 178 I HN 0.274 nan 8.210 nan 0.000 0.425 179 K N 1.495 121.782 120.400 -0.189 0.000 2.044 179 K HA -0.203 4.121 4.320 0.007 0.000 0.210 179 K C 1.471 177.811 176.600 -0.433 0.000 1.049 179 K CA 1.978 58.027 56.287 -0.396 0.000 0.927 179 K CB -0.195 31.860 32.500 -0.741 0.000 0.713 179 K HN 0.168 nan 8.250 nan 0.000 0.443 180 F N 0.248 120.132 119.950 -0.109 0.000 2.693 180 F HA 0.236 4.767 4.527 0.006 0.000 0.303 180 F C 1.207 176.786 175.800 -0.367 0.000 1.143 180 F CA 0.481 58.394 58.000 -0.146 0.000 1.389 180 F CB 0.653 39.658 39.000 0.009 0.000 1.060 180 F HN 0.354 nan 8.300 nan 0.000 0.535 181 G N -0.303 108.400 108.800 -0.162 0.000 2.160 181 G HA2 -0.357 3.607 3.960 0.007 0.000 0.251 181 G HA3 -0.357 3.607 3.960 0.007 0.000 0.251 181 G C 0.729 175.454 174.900 -0.293 0.000 1.008 181 G CA 0.308 45.273 45.100 -0.225 0.000 0.724 181 G HN 0.455 nan 8.290 nan 0.000 0.514 182 F N -0.065 119.918 119.950 0.055 0.000 2.473 182 F HA 0.298 4.835 4.527 0.016 0.000 0.294 182 F C 1.571 177.391 175.800 0.033 0.000 1.103 182 F CA 0.886 58.911 58.000 0.042 0.000 1.442 182 F CB 0.308 39.332 39.000 0.040 0.000 1.097 182 F HN 0.147 nan 8.300 nan 0.000 0.547 183 Q N -0.206 119.701 119.800 0.179 0.000 2.456 183 Q HA 0.205 4.549 4.340 0.007 0.000 0.284 183 Q C -0.453 175.571 176.000 0.041 0.000 1.061 183 Q CA -0.328 55.541 55.803 0.110 0.000 0.799 183 Q CB 2.115 30.919 28.738 0.110 0.000 1.445 183 Q HN 0.031 nan 8.270 nan 0.000 0.411 184 D N -0.382 120.019 120.400 0.001 0.000 2.422 184 D HA 0.153 4.798 4.640 0.007 0.000 0.218 184 D C 0.077 176.184 176.300 -0.322 0.000 1.047 184 D CA 0.654 54.580 54.000 -0.122 0.000 0.885 184 D CB 1.431 42.206 40.800 -0.043 0.000 1.035 184 D HN 0.117 nan 8.370 nan 0.000 0.502 185 V N 1.937 121.745 119.914 -0.178 0.000 2.686 185 V HA 0.433 4.557 4.120 0.007 0.000 0.306 185 V C -0.649 175.525 176.094 0.133 0.000 1.065 185 V CA -0.590 61.619 62.300 -0.151 0.000 0.894 185 V CB 2.630 34.284 31.823 -0.281 0.000 1.004 185 V HN -0.049 nan 8.190 nan 0.000 0.424 186 M N 5.008 124.668 119.600 0.101 0.000 2.267 186 M HA 0.508 4.992 4.480 0.007 0.000 0.289 186 M C -1.151 175.214 176.300 0.107 0.000 1.043 186 M CA -0.359 55.017 55.300 0.126 0.000 0.928 186 M CB 2.221 34.859 32.600 0.063 0.000 1.613 186 M HN 0.445 nan 8.290 nan 0.000 0.450 187 L N 3.216 124.506 121.223 0.110 0.000 2.278 187 L HA 0.606 4.950 4.340 0.007 0.000 0.287 187 L C -0.512 176.364 176.870 0.011 0.000 1.072 187 L CA -0.502 54.358 54.840 0.033 0.000 0.819 187 L CB 1.084 43.131 42.059 -0.021 0.000 1.176 187 L HN 0.510 nan 8.230 nan 0.000 0.435 188 V N 4.097 124.023 119.914 0.020 0.000 2.851 188 V HA 0.982 5.106 4.120 0.007 0.000 0.307 188 V C -0.253 175.858 176.094 0.030 0.000 1.129 188 V CA 0.405 62.718 62.300 0.022 0.000 0.932 188 V CB 1.796 33.634 31.823 0.025 0.000 1.024 188 V HN 0.854 nan 8.190 nan 0.000 0.426 189 G N 3.702 112.521 108.800 0.033 0.000 2.393 189 G HA2 0.678 4.642 3.960 0.007 0.000 0.264 189 G HA3 0.678 4.642 3.960 0.007 0.000 0.264 189 G C -0.305 174.627 174.900 0.054 0.000 1.221 189 G CA 0.115 45.240 45.100 0.041 0.000 0.912 189 G HN 1.574 nan 8.290 nan 0.000 0.483 190 G N -1.638 107.203 108.800 0.068 0.000 2.672 190 G HA2 0.748 4.712 3.960 0.007 0.000 0.292 190 G HA3 0.748 4.712 3.960 0.007 0.000 0.292 190 G C -1.309 173.663 174.900 0.121 0.000 1.375 190 G CA 0.434 45.589 45.100 0.092 0.000 0.890 190 G HN 1.290 nan 8.290 nan 0.000 0.476 191 T N -0.981 113.668 114.554 0.158 0.000 2.923 191 T HA 0.653 5.007 4.350 0.007 0.000 0.311 191 T C -1.683 173.164 174.700 0.246 0.000 1.183 191 T CA -0.439 61.787 62.100 0.210 0.000 1.020 191 T CB 2.241 71.228 68.868 0.197 0.000 1.165 191 T HN 0.627 nan 8.240 nan 0.000 0.482 192 E N 1.416 121.772 120.200 0.260 0.000 2.366 192 E HA 0.749 5.103 4.350 0.007 0.000 0.278 192 E C -1.454 175.311 176.600 0.275 0.000 0.923 192 E CA -0.563 55.973 56.400 0.227 0.000 0.761 192 E CB 2.075 31.866 29.700 0.152 0.000 1.231 192 E HN 0.845 nan 8.360 nan 0.000 0.443 193 A N 2.239 125.178 122.820 0.198 0.000 3.307 193 A HA 0.389 4.713 4.320 0.007 0.000 0.289 193 A C -0.380 177.276 177.584 0.120 0.000 1.138 193 A CA -0.014 52.132 52.037 0.181 0.000 0.860 193 A CB -0.129 18.878 19.000 0.011 0.000 1.318 193 A HN 0.526 nan 8.150 nan 0.000 0.551 194 S N -0.151 115.631 115.700 0.136 0.000 2.754 194 S HA 0.305 4.779 4.470 0.007 0.000 0.247 194 S C 0.153 174.842 174.600 0.148 0.000 1.031 194 S CA -0.082 58.195 58.200 0.129 0.000 1.014 194 S CB -0.678 62.612 63.200 0.150 0.000 0.918 194 S HN 0.477 nan 8.310 nan 0.000 0.519 195 I N 4.036 124.702 120.570 0.160 0.000 2.268 195 I HA 0.194 4.368 4.170 0.007 0.000 0.298 195 I C 0.582 176.842 176.117 0.239 0.000 1.185 195 I CA 0.087 61.510 61.300 0.205 0.000 1.548 195 I CB -0.624 37.487 38.000 0.185 0.000 1.492 195 I HN 0.400 nan 8.210 nan 0.000 0.711 196 T N 0.857 115.459 114.554 0.080 0.000 2.901 196 T HA 0.439 4.793 4.350 0.007 0.000 0.293 196 T C -2.294 172.029 174.700 -0.629 0.000 1.084 196 T CA -1.984 59.995 62.100 -0.201 0.000 1.008 196 T CB 2.357 71.190 68.868 -0.059 0.000 1.170 196 T HN -0.101 nan 8.240 nan 0.000 0.509 197 P HA -0.044 nan 4.420 nan 0.000 0.215 197 P C 1.207 178.459 177.300 -0.080 0.000 1.157 197 P CA 0.822 63.479 63.100 -0.739 0.000 0.874 197 P CB -0.110 31.366 31.700 -0.373 0.000 0.790 198 F N 0.489 120.349 119.950 -0.149 0.000 2.113 198 F HA -0.110 4.417 4.527 0.001 0.000 0.297 198 F C 2.158 177.934 175.800 -0.041 0.000 1.103 198 F CA 1.593 59.553 58.000 -0.066 0.000 1.248 198 F CB -0.947 38.006 39.000 -0.079 0.000 0.999 198 F HN -0.156 nan 8.300 nan 0.000 0.475 199 A N 0.561 123.313 122.820 -0.113 0.000 1.930 199 A HA -0.075 4.249 4.320 0.007 0.000 0.217 199 A C 2.243 179.813 177.584 -0.024 0.000 1.175 199 A CA 1.491 53.439 52.037 -0.149 0.000 0.627 199 A CB -0.906 18.153 19.000 0.098 0.000 0.815 199 A HN 0.411 nan 8.150 nan 0.000 0.443 200 I N -0.085 120.514 120.570 0.049 0.000 2.202 200 I HA -0.204 3.970 4.170 0.007 0.000 0.242 200 I C 2.939 179.151 176.117 0.158 0.000 1.091 200 I CA 1.447 62.842 61.300 0.158 0.000 1.368 200 I CB -1.430 36.687 38.000 0.195 0.000 1.058 200 I HN 0.364 nan 8.210 nan 0.000 0.410 201 A N 0.889 123.810 122.820 0.168 0.000 1.978 201 A HA -0.111 4.213 4.320 0.007 0.000 0.220 201 A C 2.454 179.939 177.584 -0.165 0.000 1.170 201 A CA 1.827 53.890 52.037 0.044 0.000 0.636 201 A CB -1.213 17.766 19.000 -0.034 0.000 0.810 201 A HN 0.448 nan 8.150 nan 0.000 0.448 202 G N -1.283 107.300 108.800 -0.360 0.000 2.404 202 G HA2 -0.123 3.842 3.960 0.007 0.000 0.215 202 G HA3 -0.123 3.842 3.960 0.007 0.000 0.215 202 G C 1.359 176.026 174.900 -0.388 0.000 1.174 202 G CA 0.996 45.784 45.100 -0.521 0.000 0.780 202 G HN 0.476 nan 8.290 nan 0.000 0.537 203 F N 0.581 120.411 119.950 -0.199 0.000 2.325 203 F HA 0.050 4.577 4.527 -0.000 0.000 0.299 203 F C 2.858 178.562 175.800 -0.161 0.000 1.090 203 F CA 1.249 59.144 58.000 -0.176 0.000 1.392 203 F CB 0.001 38.895 39.000 -0.177 0.000 1.053 203 F HN 0.167 nan 8.300 nan 0.000 0.521 204 Q N 0.690 120.511 119.800 0.034 0.000 2.050 204 Q HA -0.196 4.148 4.340 0.007 0.000 0.202 204 Q C 2.375 178.356 176.000 -0.030 0.000 0.980 204 Q CA 1.595 57.395 55.803 -0.004 0.000 0.840 204 Q CB -0.237 28.514 28.738 0.022 0.000 0.898 204 Q HN 0.369 nan 8.270 nan 0.000 0.424 205 A N 0.809 123.589 122.820 -0.066 0.000 1.972 205 A HA -0.141 4.183 4.320 0.007 0.000 0.219 205 A C 2.011 179.566 177.584 -0.048 0.000 1.169 205 A CA 0.891 52.885 52.037 -0.072 0.000 0.635 205 A CB -0.637 18.298 19.000 -0.109 0.000 0.810 205 A HN 0.528 nan 8.150 nan 0.000 0.446 206 L N -1.382 119.812 121.223 -0.049 0.000 2.141 206 L HA -0.099 4.245 4.340 0.007 0.000 0.209 206 L C 0.746 177.644 176.870 0.047 0.000 1.094 206 L CA 1.734 56.569 54.840 -0.007 0.000 0.763 206 L CB -0.110 41.938 42.059 -0.018 0.000 0.908 206 L HN 0.550 nan 8.230 nan 0.000 0.437 207 T N -1.801 112.775 114.554 0.036 0.000 5.315 207 T HA -0.169 4.185 4.350 0.007 0.000 0.268 207 T C 0.743 175.485 174.700 0.070 0.000 2.179 207 T CA 0.573 62.699 62.100 0.044 0.000 3.728 207 T CB -1.595 67.306 68.868 0.055 0.000 0.572 207 T HN 0.514 nan 8.240 nan 0.000 1.086 208 A N -0.075 122.798 122.820 0.088 0.000 2.178 208 A HA 0.556 4.880 4.320 0.007 0.000 0.211 208 A C 0.877 178.376 177.584 -0.143 0.000 1.157 208 A CA 0.368 52.491 52.037 0.143 0.000 0.780 208 A CB 0.112 19.326 19.000 0.356 0.000 0.828 208 A HN 0.636 nan 8.150 nan 0.000 0.476 209 L N 0.480 121.542 121.223 -0.268 0.000 2.312 209 L HA 0.311 4.655 4.340 0.007 0.000 0.281 209 L C 0.683 177.442 176.870 -0.185 0.000 1.070 209 L CA -0.490 54.102 54.840 -0.413 0.000 0.805 209 L CB 1.571 43.414 42.059 -0.360 0.000 1.174 209 L HN 0.175 nan 8.230 nan 0.000 0.434 210 S N 0.460 116.065 115.700 -0.158 0.000 2.549 210 S HA 0.090 4.564 4.470 0.007 0.000 0.279 210 S C 0.992 175.552 174.600 -0.068 0.000 1.321 210 S CA -0.238 57.918 58.200 -0.073 0.000 1.054 210 S CB 0.665 63.836 63.200 -0.048 0.000 0.899 210 S HN 0.766 nan 8.310 nan 0.000 0.497 211 T N 1.179 115.713 114.554 -0.034 0.000 3.105 211 T HA 0.190 4.544 4.350 0.007 0.000 0.253 211 T C 0.523 175.233 174.700 0.016 0.000 1.047 211 T CA -0.327 61.766 62.100 -0.012 0.000 0.944 211 T CB -0.434 68.435 68.868 0.003 0.000 1.016 211 T HN 0.542 nan 8.240 nan 0.000 0.544 212 T N 3.211 117.766 114.554 0.003 0.000 2.871 212 T HA 0.061 4.415 4.350 0.007 0.000 0.296 212 T C 1.142 175.853 174.700 0.020 0.000 0.998 212 T CA 0.188 62.292 62.100 0.007 0.000 1.162 212 T CB 0.982 69.845 68.868 -0.008 0.000 0.947 212 T HN 0.410 nan 8.240 nan 0.000 0.536 213 E N 1.580 121.798 120.200 0.030 0.000 2.047 213 E HA -0.106 4.248 4.350 0.007 0.000 0.191 213 E C 0.821 177.426 176.600 0.008 0.000 0.987 213 E CA 0.589 57.009 56.400 0.033 0.000 0.799 213 E CB 0.150 29.863 29.700 0.021 0.000 0.752 213 E HN 0.561 nan 8.360 nan 0.000 0.449 214 D N 0.722 121.119 120.400 -0.005 0.000 2.349 214 D HA -0.030 4.614 4.640 0.007 0.000 0.266 214 D C -1.594 174.692 176.300 -0.024 0.000 1.293 214 D CA -1.835 52.156 54.000 -0.016 0.000 0.926 214 D CB 0.990 41.778 40.800 -0.020 0.000 1.090 214 D HN -0.048 nan 8.370 nan 0.000 0.502 215 P HA -0.132 nan 4.420 nan 0.000 0.221 215 P C 1.185 178.456 177.300 -0.048 0.000 1.145 215 P CA 0.821 63.899 63.100 -0.036 0.000 0.795 215 P CB 0.306 31.984 31.700 -0.036 0.000 0.775 216 T N -1.460 113.065 114.554 -0.049 0.000 3.088 216 T HA 0.041 4.396 4.350 0.007 0.000 0.259 216 T C 1.572 176.232 174.700 -0.067 0.000 1.122 216 T CA 0.660 62.721 62.100 -0.064 0.000 1.095 216 T CB -0.205 68.631 68.868 -0.054 0.000 0.930 216 T HN -0.059 nan 8.240 nan 0.000 0.508 217 R N -0.520 119.949 120.500 -0.052 0.000 2.549 217 R HA 0.528 4.872 4.340 0.007 0.000 0.344 217 R C 1.518 177.794 176.300 -0.040 0.000 0.979 217 R CA 0.317 56.388 56.100 -0.048 0.000 1.140 217 R CB 0.055 30.332 30.300 -0.038 0.000 1.377 217 R HN 0.186 nan 8.270 nan 0.000 0.541 218 A N -0.837 121.960 122.820 -0.038 0.000 1.911 218 A HA 0.145 4.469 4.320 0.007 0.000 0.212 218 A C 0.883 178.453 177.584 -0.023 0.000 1.189 218 A CA 0.702 52.722 52.037 -0.030 0.000 0.639 218 A CB 0.126 19.107 19.000 -0.031 0.000 0.839 218 A HN 0.149 nan 8.150 nan 0.000 0.449 219 S N 0.752 116.435 115.700 -0.028 0.000 2.512 219 S HA 0.542 5.016 4.470 0.007 0.000 0.291 219 S C -0.266 174.313 174.600 -0.035 0.000 1.151 219 S CA -0.592 57.599 58.200 -0.016 0.000 1.120 219 S CB -0.519 62.679 63.200 -0.004 0.000 1.029 219 S HN 0.473 nan 8.310 nan 0.000 0.485 220 I N 2.058 122.611 120.570 -0.030 0.000 2.925 220 I HA 0.471 4.645 4.170 0.007 0.000 0.296 220 I C -2.941 173.167 176.117 -0.015 0.000 1.413 220 I CA -2.643 58.637 61.300 -0.033 0.000 0.932 220 I CB 0.889 38.859 38.000 -0.049 0.000 1.873 220 I HN 0.205 nan 8.210 nan 0.000 0.619 221 P HA 0.109 nan 4.420 nan 0.000 0.264 221 P C -0.074 177.318 177.300 0.154 0.000 1.183 221 P CA 0.714 63.798 63.100 -0.026 0.000 0.763 221 P CB 0.073 31.793 31.700 0.034 0.000 0.807 222 F N -1.486 118.456 119.950 -0.013 0.000 2.571 222 F HA -0.266 4.266 4.527 0.007 0.000 0.515 222 F C 1.004 176.757 175.800 -0.078 0.000 0.532 222 F CA 1.045 59.033 58.000 -0.020 0.000 1.158 222 F CB -1.620 37.377 39.000 -0.004 0.000 1.848 222 F HN 0.322 nan 8.300 nan 0.000 0.266 223 D N 2.327 122.754 120.400 0.044 0.000 2.443 223 D HA 0.018 4.663 4.640 0.007 0.000 0.239 223 D C 1.382 177.651 176.300 -0.053 0.000 1.136 223 D CA 0.778 54.746 54.000 -0.053 0.000 0.879 223 D CB 0.912 41.664 40.800 -0.079 0.000 1.195 223 D HN 0.522 nan 8.370 nan 0.000 0.443 224 K N 2.676 123.025 120.400 -0.084 0.000 2.160 224 K HA -0.187 4.137 4.320 0.007 0.000 0.206 224 K C 0.295 176.871 176.600 -0.041 0.000 1.047 224 K CA 1.391 57.632 56.287 -0.078 0.000 0.930 224 K CB 0.155 32.601 32.500 -0.089 0.000 0.720 224 K HN 0.282 nan 8.250 nan 0.000 0.450 225 D N 1.653 122.029 120.400 -0.040 0.000 2.342 225 D HA 0.007 4.651 4.640 0.007 0.000 0.221 225 D C -0.069 176.221 176.300 -0.016 0.000 1.101 225 D CA -0.066 53.919 54.000 -0.024 0.000 0.837 225 D CB 0.083 40.866 40.800 -0.029 0.000 0.938 225 D HN 0.386 nan 8.370 nan 0.000 0.508 226 R N 1.426 121.917 120.500 -0.015 0.000 2.640 226 R HA 0.068 4.412 4.340 0.007 0.000 0.270 226 R C 0.239 176.544 176.300 0.008 0.000 1.024 226 R CA 0.300 56.395 56.100 -0.009 0.000 1.085 226 R CB -0.302 29.987 30.300 -0.017 0.000 0.963 226 R HN 0.037 nan 8.270 nan 0.000 0.426 227 N N 0.817 119.523 118.700 0.010 0.000 2.475 227 N HA 0.254 4.998 4.740 0.007 0.000 0.272 227 N C -0.529 174.994 175.510 0.022 0.000 1.482 227 N CA -0.346 52.715 53.050 0.019 0.000 0.863 227 N CB 1.284 39.777 38.487 0.009 0.000 1.400 227 N HN 0.941 nan 8.380 nan 0.000 0.489 228 G N 0.776 109.602 108.800 0.044 0.000 2.392 228 G HA2 0.058 4.022 3.960 0.007 0.000 0.677 228 G HA3 0.058 4.022 3.960 0.007 0.000 0.677 228 G C -0.852 174.098 174.900 0.084 0.000 1.334 228 G CA -0.832 44.303 45.100 0.058 0.000 0.961 228 G HN 0.328 nan 8.290 nan 0.000 0.616 229 F N -0.571 119.391 119.950 0.020 0.000 2.380 229 F HA 0.866 5.399 4.527 0.010 0.000 0.319 229 F C 0.097 175.886 175.800 -0.017 0.000 1.113 229 F CA -1.433 56.566 58.000 -0.002 0.000 1.056 229 F CB 1.440 40.464 39.000 0.040 0.000 1.289 229 F HN 0.440 nan 8.300 nan 0.000 0.515 230 V N 3.567 123.633 119.914 0.254 0.000 2.409 230 V HA 0.247 4.371 4.120 0.007 0.000 0.291 230 V C 0.049 176.322 176.094 0.297 0.000 1.020 230 V CA -0.824 61.539 62.300 0.104 0.000 0.848 230 V CB 1.358 33.217 31.823 0.060 0.000 0.990 230 V HN 0.934 nan 8.190 nan 0.000 0.430 231 M N 3.735 123.435 119.600 0.168 0.000 2.228 231 M HA 0.492 4.976 4.480 0.007 0.000 0.351 231 M C 0.619 177.001 176.300 0.138 0.000 1.233 231 M CA 0.328 55.764 55.300 0.227 0.000 1.129 231 M CB 0.738 33.415 32.600 0.128 0.000 1.604 231 M HN 0.849 nan 8.290 nan 0.000 0.457 232 G N 3.291 112.174 108.800 0.138 0.000 3.016 232 G HA2 0.720 4.684 3.960 0.007 0.000 0.270 232 G HA3 0.720 4.684 3.960 0.007 0.000 0.270 232 G C -1.581 173.382 174.900 0.106 0.000 1.352 232 G CA -0.550 44.617 45.100 0.111 0.000 1.060 232 G HN 0.791 nan 8.290 nan 0.000 0.538 233 E N -2.531 117.726 120.200 0.095 0.000 2.407 233 E HA 0.639 4.993 4.350 0.007 0.000 0.279 233 E C -0.260 176.359 176.600 0.032 0.000 1.012 233 E CA -0.526 55.944 56.400 0.116 0.000 0.800 233 E CB 1.615 31.414 29.700 0.165 0.000 1.276 233 E HN 1.838 nan 8.360 nan 0.000 0.452 234 G N 0.329 109.169 108.800 0.067 0.000 2.293 234 G HA2 0.320 4.284 3.960 0.007 0.000 0.282 234 G HA3 0.320 4.284 3.960 0.007 0.000 0.282 234 G C -1.222 173.740 174.900 0.103 0.000 1.299 234 G CA -0.312 44.716 45.100 -0.120 0.000 1.018 234 G HN 1.036 nan 8.290 nan 0.000 0.478 235 S N -1.335 114.408 115.700 0.071 0.000 2.533 235 S HA 0.789 5.263 4.470 0.007 0.000 0.271 235 S C -0.199 174.444 174.600 0.071 0.000 1.143 235 S CA 0.719 58.994 58.200 0.126 0.000 0.891 235 S CB 1.398 64.723 63.200 0.209 0.000 1.105 235 S HN 2.267 nan 8.310 nan 0.000 0.468 236 G N 3.358 112.185 108.800 0.046 0.000 2.530 236 G HA2 0.666 4.631 3.960 0.007 0.000 0.316 236 G HA3 0.666 4.631 3.960 0.007 0.000 0.316 236 G C -1.123 173.793 174.900 0.027 0.000 1.298 236 G CA -0.497 44.599 45.100 -0.007 0.000 0.948 236 G HN 0.536 nan 8.290 nan 0.000 0.486 237 M N 1.414 121.034 119.600 0.032 0.000 2.457 237 M HA 0.552 5.036 4.480 0.007 0.000 0.300 237 M C -1.318 175.016 176.300 0.056 0.000 1.141 237 M CA -0.730 54.594 55.300 0.040 0.000 0.901 237 M CB 1.951 34.572 32.600 0.035 0.000 1.687 237 M HN 0.267 nan 8.290 nan 0.000 0.449 238 L N 1.895 123.150 121.223 0.054 0.000 2.370 238 L HA 0.721 5.065 4.340 0.007 0.000 0.266 238 L C -0.461 176.439 176.870 0.049 0.000 1.002 238 L CA -0.722 54.170 54.840 0.086 0.000 0.818 238 L CB 2.039 44.151 42.059 0.089 0.000 1.325 238 L HN 0.375 nan 8.230 nan 0.000 0.418 239 V N 3.632 123.573 119.914 0.044 0.000 2.350 239 V HA 0.442 4.566 4.120 0.007 0.000 0.276 239 V C -0.037 176.062 176.094 0.008 0.000 1.028 239 V CA -0.447 61.855 62.300 0.004 0.000 0.860 239 V CB 1.111 32.907 31.823 -0.044 0.000 0.990 239 V HN 0.457 nan 8.190 nan 0.000 0.453 240 L N 5.121 126.349 121.223 0.008 0.000 2.325 240 L HA 0.711 5.055 4.340 0.007 0.000 0.278 240 L C -0.064 176.774 176.870 -0.054 0.000 1.023 240 L CA -0.455 54.386 54.840 0.001 0.000 0.811 240 L CB 1.894 43.979 42.059 0.044 0.000 1.249 240 L HN 0.619 nan 8.230 nan 0.000 0.431 241 E N 0.496 120.648 120.200 -0.080 0.000 2.383 241 E HA 0.293 4.647 4.350 0.007 0.000 0.275 241 E C -1.058 175.484 176.600 -0.097 0.000 0.918 241 E CA -0.762 55.543 56.400 -0.158 0.000 0.764 241 E CB 2.362 31.966 29.700 -0.160 0.000 1.252 241 E HN 0.653 nan 8.360 nan 0.000 0.449 242 S N 1.102 116.741 115.700 -0.102 0.000 2.568 242 S HA -0.022 4.452 4.470 0.007 0.000 0.282 242 S C 1.061 175.648 174.600 -0.020 0.000 1.338 242 S CA -0.534 57.643 58.200 -0.038 0.000 1.045 242 S CB 0.724 63.914 63.200 -0.018 0.000 0.873 242 S HN 0.599 nan 8.310 nan 0.000 0.516 243 L N 1.828 123.037 121.223 -0.022 0.000 2.013 243 L HA -0.126 4.218 4.340 0.007 0.000 0.212 243 L C 2.548 179.418 176.870 0.001 0.000 1.073 243 L CA 2.478 57.296 54.840 -0.036 0.000 0.753 243 L CB -1.269 40.791 42.059 0.003 0.000 0.890 243 L HN 1.031 nan 8.230 nan 0.000 0.432 244 E N -1.493 118.721 120.200 0.024 0.000 2.070 244 E HA -0.373 3.981 4.350 0.007 0.000 0.197 244 E C 2.252 178.884 176.600 0.053 0.000 1.004 244 E CA 1.801 58.221 56.400 0.032 0.000 0.805 244 E CB -0.299 29.419 29.700 0.029 0.000 0.744 244 E HN 0.803 nan 8.360 nan 0.000 0.451 245 H N -0.858 118.184 119.070 -0.046 0.000 2.395 245 H HA 0.031 4.593 4.556 0.009 0.000 0.299 245 H C 1.866 177.151 175.328 -0.072 0.000 1.070 245 H CA 1.404 57.419 56.048 -0.054 0.000 1.356 245 H CB -0.057 29.674 29.762 -0.052 0.000 1.401 245 H HN 0.253 nan 8.280 nan 0.000 0.524 246 A N 0.901 123.807 122.820 0.144 0.000 1.883 246 A HA -0.235 4.089 4.320 0.007 0.000 0.217 246 A C 2.233 179.795 177.584 -0.036 0.000 1.186 246 A CA 2.034 54.085 52.037 0.024 0.000 0.624 246 A CB -0.586 18.369 19.000 -0.075 0.000 0.822 246 A HN 0.672 nan 8.150 nan 0.000 0.444 247 E N -0.497 119.687 120.200 -0.028 0.000 2.072 247 E HA -0.152 4.202 4.350 0.007 0.000 0.191 247 E C 2.074 178.651 176.600 -0.038 0.000 0.985 247 E CA 1.196 57.583 56.400 -0.021 0.000 0.801 247 E CB -0.116 29.590 29.700 0.011 0.000 0.750 247 E HN 0.580 nan 8.360 nan 0.000 0.452 248 K N 0.480 120.846 120.400 -0.056 0.000 2.211 248 K HA -0.178 4.146 4.320 0.007 0.000 0.204 248 K C 2.080 178.617 176.600 -0.106 0.000 1.047 248 K CA 1.416 57.654 56.287 -0.081 0.000 0.935 248 K CB -0.100 32.337 32.500 -0.105 0.000 0.728 248 K HN 0.116 nan 8.250 nan 0.000 0.452 249 R N -0.592 119.831 120.500 -0.129 0.000 2.334 249 R HA 0.132 4.476 4.340 0.007 0.000 0.216 249 R C 0.660 176.908 176.300 -0.086 0.000 0.905 249 R CA 0.621 56.647 56.100 -0.123 0.000 1.064 249 R CB 0.329 30.530 30.300 -0.166 0.000 1.046 249 R HN 0.085 nan 8.270 nan 0.000 0.508 250 G N 0.719 109.478 108.800 -0.069 0.000 2.182 250 G HA2 -0.280 3.684 3.960 0.007 0.000 0.248 250 G HA3 -0.280 3.684 3.960 0.007 0.000 0.248 250 G C 0.219 175.082 174.900 -0.063 0.000 1.042 250 G CA 0.035 45.103 45.100 -0.054 0.000 0.775 250 G HN 0.684 nan 8.290 nan 0.000 0.501 251 A N -0.338 122.436 122.820 -0.076 0.000 2.366 251 A HA 0.715 5.039 4.320 0.007 0.000 0.249 251 A C 0.843 178.363 177.584 -0.107 0.000 1.084 251 A CA 0.882 52.860 52.037 -0.098 0.000 0.794 251 A CB 0.450 19.387 19.000 -0.104 0.000 1.034 251 A HN 0.842 nan 8.150 nan 0.000 0.491 252 T N 2.411 116.887 114.554 -0.130 0.000 2.729 252 T HA 0.394 4.748 4.350 0.007 0.000 0.296 252 T C 0.088 174.673 174.700 -0.191 0.000 0.928 252 T CA 0.325 62.348 62.100 -0.128 0.000 1.045 252 T CB -0.255 68.530 68.868 -0.138 0.000 0.902 252 T HN 0.382 nan 8.240 nan 0.000 0.500 253 I N 4.432 124.845 120.570 -0.261 0.000 2.371 253 I HA 0.094 4.268 4.170 0.007 0.000 0.290 253 I C 0.601 176.535 176.117 -0.305 0.000 1.028 253 I CA -0.466 60.539 61.300 -0.492 0.000 1.345 253 I CB 1.241 38.514 38.000 -1.211 0.000 1.407 253 I HN 0.490 nan 8.210 nan 0.000 0.501 254 L N 6.282 127.397 121.223 -0.179 0.000 2.298 254 L HA 0.383 4.727 4.340 0.007 0.000 0.209 254 L C 0.745 177.651 176.870 0.060 0.000 1.084 254 L CA 0.737 55.569 54.840 -0.013 0.000 0.816 254 L CB -0.544 41.551 42.059 0.059 0.000 0.967 254 L HN 0.799 nan 8.230 nan 0.000 0.460 255 A N -1.365 121.461 122.820 0.010 0.000 2.483 255 A HA 0.589 4.913 4.320 0.007 0.000 0.294 255 A C -1.405 176.222 177.584 0.072 0.000 1.077 255 A CA -0.571 51.532 52.037 0.110 0.000 0.633 255 A CB 0.833 19.900 19.000 0.111 0.000 1.318 255 A HN -0.044 nan 8.150 nan 0.000 0.455 256 E N 0.160 120.460 120.200 0.167 0.000 2.292 256 E HA 0.598 4.952 4.350 0.007 0.000 0.272 256 E C -1.740 174.945 176.600 0.143 0.000 0.881 256 E CA -0.642 55.842 56.400 0.139 0.000 0.754 256 E CB 2.167 31.983 29.700 0.193 0.000 1.201 256 E HN 0.577 nan 8.360 nan 0.000 0.425 257 V N 4.933 124.870 119.914 0.038 0.000 2.406 257 V HA 0.141 4.265 4.120 0.007 0.000 0.272 257 V C 0.990 176.898 176.094 -0.309 0.000 1.043 257 V CA -0.142 62.008 62.300 -0.249 0.000 0.915 257 V CB 0.990 32.577 31.823 -0.393 0.000 0.988 257 V HN 0.700 nan 8.190 nan 0.000 0.466 258 V N 1.569 121.278 119.914 -0.341 0.000 3.562 258 V HA 0.682 4.807 4.120 0.007 0.000 0.270 258 V C 0.673 176.695 176.094 -0.119 0.000 1.418 258 V CA 0.638 62.882 62.300 -0.093 0.000 1.033 258 V CB 0.364 32.261 31.823 0.123 0.000 0.820 258 V HN 0.851 nan 8.190 nan 0.000 0.441 259 G N -0.538 108.043 108.800 -0.365 0.000 2.733 259 G HA2 0.573 4.537 3.960 0.007 0.000 0.297 259 G HA3 0.573 4.537 3.960 0.007 0.000 0.297 259 G C -2.431 172.405 174.900 -0.107 0.000 1.422 259 G CA -0.643 44.391 45.100 -0.111 0.000 0.942 259 G HN 0.310 nan 8.290 nan 0.000 0.510 260 Y N 0.826 121.117 120.300 -0.015 0.000 2.401 260 Y HA 0.687 5.236 4.550 -0.002 0.000 0.330 260 Y C -0.274 175.666 175.900 0.066 0.000 1.071 260 Y CA -1.291 56.817 58.100 0.014 0.000 1.049 260 Y CB 1.984 40.540 38.460 0.160 0.000 1.239 260 Y HN 0.876 nan 8.280 nan 0.000 0.437 261 G N 5.708 114.430 108.800 -0.130 0.000 2.609 261 G HA2 0.463 4.427 3.960 0.007 0.000 0.308 261 G HA3 0.463 4.427 3.960 0.007 0.000 0.308 261 G C -1.765 172.953 174.900 -0.302 0.000 1.369 261 G CA -1.085 43.862 45.100 -0.254 0.000 0.958 261 G HN 0.745 nan 8.290 nan 0.000 0.499 262 N N 0.691 119.173 118.700 -0.363 0.000 2.352 262 N HA 0.648 5.393 4.740 0.007 0.000 0.291 262 N C -0.323 175.143 175.510 -0.074 0.000 1.040 262 N CA -0.624 52.324 53.050 -0.170 0.000 0.864 262 N CB 2.186 40.568 38.487 -0.175 0.000 1.440 262 N HN 0.562 nan 8.380 nan 0.000 0.483 263 T N -2.071 112.480 114.554 -0.006 0.000 2.742 263 T HA 0.642 4.996 4.350 0.007 0.000 0.282 263 T C -0.889 173.822 174.700 0.017 0.000 1.025 263 T CA -0.767 61.328 62.100 -0.008 0.000 1.020 263 T CB 1.428 70.279 68.868 -0.028 0.000 1.317 263 T HN 0.714 nan 8.240 nan 0.000 0.538 264 C N 0.807 120.101 119.300 -0.010 0.000 2.535 264 C HA 0.571 5.035 4.460 0.007 0.000 0.319 264 C C 0.949 175.915 174.990 -0.040 0.000 1.171 264 C CA -0.425 58.578 59.018 -0.025 0.000 1.394 264 C CB 0.557 28.287 27.740 -0.017 0.000 1.990 264 C HN 0.966 nan 8.230 nan 0.000 0.466 265 D N 2.838 123.212 120.400 -0.043 0.000 2.117 265 D HA 0.012 4.656 4.640 0.007 0.000 0.197 265 D C 1.650 177.981 176.300 0.052 0.000 0.987 265 D CA 1.946 55.939 54.000 -0.012 0.000 0.829 265 D CB -0.181 40.649 40.800 0.049 0.000 0.961 265 D HN 1.186 nan 8.370 nan 0.000 0.460 266 A N -0.836 122.010 122.820 0.044 0.000 2.745 266 A HA -0.289 4.035 4.320 0.007 0.000 0.296 266 A C 0.722 178.394 177.584 0.147 0.000 1.500 266 A CA 1.473 53.544 52.037 0.057 0.000 0.766 266 A CB -2.296 16.723 19.000 0.031 0.000 1.030 266 A HN 0.498 nan 8.150 nan 0.000 0.489 267 Y N -0.798 119.523 120.300 0.035 0.000 2.583 267 Y HA 0.433 4.986 4.550 0.004 0.000 0.270 267 Y C 0.897 176.881 175.900 0.139 0.000 1.113 267 Y CA 1.411 59.568 58.100 0.095 0.000 1.307 267 Y CB 0.532 39.075 38.460 0.137 0.000 1.369 267 Y HN 0.681 nan 8.280 nan 0.000 0.506 268 H N -0.223 118.802 119.070 -0.074 0.000 3.079 268 H HA 0.248 4.810 4.556 0.009 0.000 0.356 268 H C 0.245 175.575 175.328 0.004 0.000 1.221 268 H CA -0.461 55.472 56.048 -0.191 0.000 1.185 268 H CB 1.880 31.378 29.762 -0.440 0.000 1.882 268 H HN 0.195 nan 8.280 nan 0.000 0.543 269 M N 1.867 121.186 119.600 -0.468 0.000 2.229 269 M HA -0.065 4.419 4.480 0.007 0.000 0.264 269 M C 1.566 177.902 176.300 0.059 0.000 1.063 269 M CA 1.765 56.960 55.300 -0.174 0.000 1.114 269 M CB -1.166 31.319 32.600 -0.193 0.000 1.387 269 M HN 0.665 nan 8.290 nan 0.000 0.420 270 T N -4.642 109.973 114.554 0.102 0.000 3.084 270 T HA 0.315 4.670 4.350 0.007 0.000 0.270 270 T C 0.426 175.383 174.700 0.428 0.000 1.008 270 T CA -0.247 62.106 62.100 0.423 0.000 0.900 270 T CB 0.320 69.391 68.868 0.338 0.000 1.084 270 T HN 0.090 nan 8.240 nan 0.000 0.538 271 S N 2.287 118.204 115.700 0.362 0.000 2.543 271 S HA 0.608 5.082 4.470 0.007 0.000 0.271 271 S C -2.971 171.765 174.600 0.227 0.000 1.148 271 S CA -1.167 57.175 58.200 0.237 0.000 0.914 271 S CB 1.838 65.182 63.200 0.241 0.000 1.096 271 S HN 0.053 nan 8.310 nan 0.000 0.471 272 P HA 0.188 nan 4.420 nan 0.000 0.272 272 P C -0.776 176.480 177.300 -0.074 0.000 1.240 272 P CA -0.230 62.873 63.100 0.006 0.000 0.791 272 P CB 0.117 31.765 31.700 -0.087 0.000 0.978 273 H N 1.753 120.617 119.070 -0.344 0.000 2.928 273 H HA 0.060 4.619 4.556 0.006 0.000 0.338 273 H C -1.332 173.709 175.328 -0.479 0.000 1.047 273 H CA -0.633 54.961 56.048 -0.757 0.000 1.435 273 H CB 0.254 29.653 29.762 -0.605 0.000 1.428 273 H HN 0.232 nan 8.280 nan 0.000 0.590 274 P HA -0.151 nan 4.420 nan 0.000 0.218 274 P C 0.086 177.240 177.300 -0.244 0.000 1.148 274 P CA 1.509 64.359 63.100 -0.416 0.000 0.822 274 P CB 0.306 31.753 31.700 -0.422 0.000 0.784 275 E N -1.829 118.291 120.200 -0.133 0.000 2.501 275 E HA 0.271 4.625 4.350 0.007 0.000 0.201 275 E C 0.835 177.440 176.600 0.009 0.000 1.016 275 E CA 0.224 56.626 56.400 0.004 0.000 0.920 275 E CB -0.133 29.602 29.700 0.058 0.000 1.023 275 E HN 0.103 nan 8.360 nan 0.000 0.474 276 G N 3.007 111.796 108.800 -0.018 0.000 2.249 276 G HA2 -0.405 3.559 3.960 0.007 0.000 0.273 276 G HA3 -0.405 3.559 3.960 0.007 0.000 0.273 276 G C 0.744 175.514 174.900 -0.216 0.000 1.036 276 G CA 0.949 45.944 45.100 -0.175 0.000 0.824 276 G HN 0.420 nan 8.290 nan 0.000 0.504 277 Q N -0.477 119.147 119.800 -0.293 0.000 2.096 277 Q HA -0.050 4.294 4.340 0.007 0.000 0.204 277 Q C 2.661 178.484 176.000 -0.295 0.000 0.982 277 Q CA 2.374 57.955 55.803 -0.370 0.000 0.850 277 Q CB -0.600 27.726 28.738 -0.688 0.000 0.901 277 Q HN 0.713 nan 8.270 nan 0.000 0.422 278 G N 0.187 108.802 108.800 -0.308 0.000 2.408 278 G HA2 -0.185 3.780 3.960 0.007 0.000 0.217 278 G HA3 -0.185 3.780 3.960 0.007 0.000 0.217 278 G C 1.480 176.270 174.900 -0.184 0.000 1.150 278 G CA 0.752 45.726 45.100 -0.210 0.000 0.776 278 G HN 0.502 nan 8.290 nan 0.000 0.542 279 A N 0.945 123.581 122.820 -0.307 0.000 1.902 279 A HA 0.003 4.327 4.320 0.007 0.000 0.217 279 A C 2.380 179.906 177.584 -0.097 0.000 1.181 279 A CA 1.296 53.150 52.037 -0.304 0.000 0.623 279 A CB -0.402 18.143 19.000 -0.758 0.000 0.818 279 A HN 0.372 nan 8.150 nan 0.000 0.443 280 I N -0.441 120.057 120.570 -0.120 0.000 2.118 280 I HA -0.350 3.824 4.170 0.007 0.000 0.241 280 I C 2.466 178.557 176.117 -0.043 0.000 1.070 280 I CA 2.078 63.340 61.300 -0.063 0.000 1.327 280 I CB -0.299 37.652 38.000 -0.080 0.000 1.034 280 I HN 0.324 nan 8.210 nan 0.000 0.405 281 K N 0.657 121.020 120.400 -0.063 0.000 2.148 281 K HA -0.065 4.259 4.320 0.007 0.000 0.204 281 K C 2.221 178.806 176.600 -0.025 0.000 1.050 281 K CA 1.258 57.517 56.287 -0.047 0.000 0.942 281 K CB -0.241 32.221 32.500 -0.062 0.000 0.724 281 K HN 0.318 nan 8.250 nan 0.000 0.446 282 A N 1.566 124.381 122.820 -0.008 0.000 1.902 282 A HA -0.139 4.185 4.320 0.007 0.000 0.217 282 A C 2.139 179.742 177.584 0.031 0.000 1.181 282 A CA 1.249 53.297 52.037 0.019 0.000 0.623 282 A CB -0.601 18.449 19.000 0.084 0.000 0.818 282 A HN 0.159 nan 8.150 nan 0.000 0.443 283 I N -0.295 120.307 120.570 0.053 0.000 2.163 283 I HA -0.315 3.859 4.170 0.007 0.000 0.243 283 I C 2.469 178.596 176.117 0.018 0.000 1.085 283 I CA 1.797 63.126 61.300 0.048 0.000 1.347 283 I CB -0.376 37.660 38.000 0.060 0.000 1.044 283 I HN 0.300 nan 8.210 nan 0.000 0.408 284 K N 0.797 121.200 120.400 0.005 0.000 2.063 284 K HA -0.170 4.155 4.320 0.007 0.000 0.208 284 K C 2.133 178.730 176.600 -0.005 0.000 1.048 284 K CA 1.362 57.646 56.287 -0.004 0.000 0.928 284 K CB -0.346 32.147 32.500 -0.012 0.000 0.713 284 K HN 0.295 nan 8.250 nan 0.000 0.442 285 L N 0.582 121.799 121.223 -0.010 0.000 2.079 285 L HA -0.216 4.128 4.340 0.007 0.000 0.210 285 L C 2.597 179.469 176.870 0.002 0.000 1.081 285 L CA 1.097 55.929 54.840 -0.013 0.000 0.752 285 L CB -0.550 41.485 42.059 -0.040 0.000 0.896 285 L HN 0.242 nan 8.230 nan 0.000 0.433 286 A N 0.123 122.946 122.820 0.004 0.000 1.873 286 A HA -0.131 4.193 4.320 0.007 0.000 0.215 286 A C 2.207 179.797 177.584 0.010 0.000 1.186 286 A CA 1.219 53.265 52.037 0.016 0.000 0.616 286 A CB -0.633 18.372 19.000 0.009 0.000 0.823 286 A HN 0.354 nan 8.150 nan 0.000 0.442 287 L N -0.775 120.447 121.223 -0.002 0.000 2.083 287 L HA -0.209 4.135 4.340 0.007 0.000 0.209 287 L C 2.526 179.389 176.870 -0.011 0.000 1.083 287 L CA 1.674 56.502 54.840 -0.019 0.000 0.752 287 L CB -0.689 41.354 42.059 -0.026 0.000 0.899 287 L HN 0.468 nan 8.230 nan 0.000 0.433 288 E N 0.010 120.213 120.200 0.005 0.000 2.072 288 E HA -0.240 4.114 4.350 0.007 0.000 0.190 288 E C 2.116 178.739 176.600 0.038 0.000 0.982 288 E CA 1.014 57.423 56.400 0.014 0.000 0.803 288 E CB 0.022 29.730 29.700 0.014 0.000 0.755 288 E HN 0.432 nan 8.360 nan 0.000 0.453 289 E N 0.544 120.782 120.200 0.062 0.000 2.077 289 E HA -0.182 4.172 4.350 0.007 0.000 0.193 289 E C 1.915 178.581 176.600 0.109 0.000 0.989 289 E CA 0.993 57.460 56.400 0.111 0.000 0.800 289 E CB -0.042 29.766 29.700 0.179 0.000 0.746 289 E HN 0.216 nan 8.360 nan 0.000 0.452 290 A N 0.590 123.455 122.820 0.075 0.000 2.119 290 A HA -0.112 4.212 4.320 0.007 0.000 0.217 290 A C 0.493 178.095 177.584 0.031 0.000 1.153 290 A CA 1.058 53.133 52.037 0.064 0.000 0.692 290 A CB -0.245 18.772 19.000 0.028 0.000 0.799 290 A HN 0.451 nan 8.150 nan 0.000 0.458 291 E N -1.023 119.182 120.200 0.007 0.000 2.340 291 E HA -0.190 4.165 4.350 0.007 0.000 0.240 291 E C -0.217 176.347 176.600 -0.059 0.000 1.154 291 E CA 0.708 57.103 56.400 -0.009 0.000 0.717 291 E CB -2.085 27.626 29.700 0.017 0.000 1.250 291 E HN 0.888 nan 8.360 nan 0.000 0.386 292 I N -3.182 117.322 120.570 -0.110 0.000 3.206 292 I HA 0.688 4.862 4.170 0.007 0.000 0.313 292 I C 0.402 176.442 176.117 -0.127 0.000 1.103 292 I CA -0.970 60.213 61.300 -0.195 0.000 0.985 292 I CB 2.092 39.830 38.000 -0.436 0.000 1.240 292 I HN 0.011 nan 8.210 nan 0.000 0.464 293 S N 0.773 116.397 115.700 -0.127 0.000 2.681 293 S HA 0.592 5.067 4.470 0.007 0.000 0.299 293 S C -2.146 172.414 174.600 -0.067 0.000 1.113 293 S CA -1.321 56.835 58.200 -0.073 0.000 1.013 293 S CB 1.499 64.668 63.200 -0.051 0.000 1.076 293 S HN 0.568 nan 8.310 nan 0.000 0.534 294 P HA -0.070 nan 4.420 nan 0.000 0.219 294 P C 0.729 178.024 177.300 -0.010 0.000 1.146 294 P CA 1.199 64.288 63.100 -0.019 0.000 0.808 294 P CB -0.011 31.685 31.700 -0.007 0.000 0.779 295 E N -0.521 119.671 120.200 -0.012 0.000 2.208 295 E HA -0.143 4.211 4.350 0.007 0.000 0.193 295 E C 1.919 178.524 176.600 0.008 0.000 0.988 295 E CA 0.864 57.265 56.400 0.002 0.000 0.828 295 E CB -0.677 29.024 29.700 0.002 0.000 0.763 295 E HN 0.425 nan 8.360 nan 0.000 0.478 296 Q N 0.138 119.922 119.800 -0.026 0.000 2.436 296 Q HA 0.016 4.360 4.340 0.007 0.000 0.209 296 Q C -0.132 175.893 176.000 0.041 0.000 0.965 296 Q CA 0.209 55.997 55.803 -0.026 0.000 0.910 296 Q CB 0.356 28.973 28.738 -0.203 0.000 0.980 296 Q HN 0.096 nan 8.270 nan 0.000 0.491 297 V N 1.451 121.387 119.914 0.037 0.000 2.415 297 V HA 0.082 4.207 4.120 0.007 0.000 0.267 297 V C 0.771 176.941 176.094 0.127 0.000 1.042 297 V CA 0.327 62.685 62.300 0.098 0.000 1.000 297 V CB 0.830 32.690 31.823 0.063 0.000 1.015 297 V HN 0.219 nan 8.190 nan 0.000 0.478 298 A N 4.963 127.893 122.820 0.184 0.000 2.220 298 A HA 0.289 4.613 4.320 0.007 0.000 0.211 298 A C 0.310 178.038 177.584 0.240 0.000 1.176 298 A CA 0.421 52.565 52.037 0.177 0.000 0.834 298 A CB 0.199 19.302 19.000 0.172 0.000 0.868 298 A HN 0.777 nan 8.150 nan 0.000 0.488 299 Y N -1.627 118.726 120.300 0.087 0.000 2.552 299 Y HA 0.517 5.072 4.550 0.008 0.000 0.337 299 Y C -1.843 174.109 175.900 0.086 0.000 1.094 299 Y CA -1.784 56.356 58.100 0.067 0.000 1.028 299 Y CB 1.367 39.864 38.460 0.061 0.000 1.321 299 Y HN -0.150 nan 8.280 nan 0.000 0.456 300 V N 6.309 125.950 119.914 -0.454 0.000 2.407 300 V HA 0.342 4.466 4.120 0.007 0.000 0.291 300 V C -0.607 174.990 176.094 -0.828 0.000 1.018 300 V CA -0.974 61.031 62.300 -0.490 0.000 0.842 300 V CB 1.527 33.270 31.823 -0.133 0.000 0.996 300 V HN 0.771 nan 8.190 nan 0.000 0.426 301 N N 4.039 122.310 118.700 -0.714 0.000 2.462 301 N HA 0.482 5.226 4.740 0.007 0.000 0.242 301 N C -0.081 175.360 175.510 -0.115 0.000 1.010 301 N CA -0.136 52.685 53.050 -0.381 0.000 0.939 301 N CB 1.842 40.212 38.487 -0.194 0.000 1.127 301 N HN 0.787 nan 8.380 nan 0.000 0.509 302 A N 2.652 125.476 122.820 0.007 0.000 2.272 302 A HA 0.132 4.456 4.320 0.007 0.000 0.275 302 A C 1.110 178.721 177.584 0.045 0.000 1.096 302 A CA -0.177 51.917 52.037 0.094 0.000 0.822 302 A CB 0.311 19.493 19.000 0.304 0.000 1.088 302 A HN 0.914 nan 8.150 nan 0.000 0.495 303 H N 0.836 119.835 119.070 -0.119 0.000 2.299 303 H HA 0.098 4.658 4.556 0.007 0.000 0.302 303 H C 1.522 176.753 175.328 -0.161 0.000 1.078 303 H CA 1.609 57.526 56.048 -0.219 0.000 1.323 303 H CB -0.691 28.862 29.762 -0.348 0.000 1.381 303 H HN 1.170 nan 8.280 nan 0.000 0.498 304 G N 0.670 109.368 108.800 -0.170 0.000 2.101 304 G HA2 -0.302 3.662 3.960 0.007 0.000 0.247 304 G HA3 -0.302 3.662 3.960 0.007 0.000 0.247 304 G C 1.017 175.691 174.900 -0.378 0.000 0.740 304 G CA 0.945 45.864 45.100 -0.302 0.000 1.130 304 G HN 0.782 nan 8.290 nan 0.000 0.342 305 T N -1.903 112.366 114.554 -0.475 0.000 3.055 305 T HA 0.305 4.659 4.350 0.007 0.000 0.265 305 T C 1.498 176.108 174.700 -0.149 0.000 1.111 305 T CA 1.139 62.979 62.100 -0.433 0.000 1.118 305 T CB 0.249 68.825 68.868 -0.486 0.000 0.909 305 T HN 1.819 nan 8.240 nan 0.000 0.501 306 S N -0.066 115.544 115.700 -0.151 0.000 3.533 306 S HA -0.137 4.337 4.470 0.007 0.000 0.287 306 S C 0.094 174.694 174.600 -0.001 0.000 1.241 306 S CA 0.631 58.788 58.200 -0.072 0.000 0.858 306 S CB -2.043 61.144 63.200 -0.021 0.000 1.033 306 S HN 0.773 nan 8.310 nan 0.000 0.619 307 T N 1.868 116.424 114.554 0.004 0.000 2.829 307 T HA 0.489 4.843 4.350 0.007 0.000 0.282 307 T C -1.455 173.266 174.700 0.035 0.000 0.990 307 T CA -1.485 60.658 62.100 0.073 0.000 1.028 307 T CB 1.466 70.419 68.868 0.141 0.000 0.951 307 T HN 0.016 nan 8.240 nan 0.000 0.460 308 P HA -0.157 nan 4.420 nan 0.000 0.216 308 P C 1.265 178.598 177.300 0.055 0.000 1.157 308 P CA 1.225 64.361 63.100 0.060 0.000 0.880 308 P CB 0.073 31.812 31.700 0.066 0.000 0.791 309 A N -0.585 122.265 122.820 0.049 0.000 1.877 309 A HA -0.258 4.066 4.320 0.007 0.000 0.216 309 A C 2.312 179.900 177.584 0.006 0.000 1.186 309 A CA 2.319 54.371 52.037 0.025 0.000 0.620 309 A CB -1.840 17.186 19.000 0.042 0.000 0.822 309 A HN 0.248 nan 8.150 nan 0.000 0.443 310 N N -0.369 118.339 118.700 0.012 0.000 2.080 310 N HA -0.167 4.577 4.740 0.007 0.000 0.189 310 N C 1.518 177.023 175.510 -0.009 0.000 1.036 310 N CA 1.903 54.964 53.050 0.018 0.000 0.846 310 N CB -0.276 38.238 38.487 0.045 0.000 1.015 310 N HN 0.474 nan 8.380 nan 0.000 0.423 311 E N -0.178 119.963 120.200 -0.098 0.000 2.204 311 E HA -0.151 4.203 4.350 0.007 0.000 0.194 311 E C 1.605 178.256 176.600 0.085 0.000 0.989 311 E CA 0.658 56.957 56.400 -0.168 0.000 0.824 311 E CB -0.061 29.326 29.700 -0.521 0.000 0.756 311 E HN 0.279 nan 8.360 nan 0.000 0.477 312 K N 0.457 120.920 120.400 0.105 0.000 1.991 312 K HA -0.090 4.234 4.320 0.007 0.000 0.212 312 K C 1.995 178.623 176.600 0.047 0.000 1.049 312 K CA 2.052 58.409 56.287 0.117 0.000 0.932 312 K CB -1.040 31.428 32.500 -0.052 0.000 0.717 312 K HN 0.141 nan 8.250 nan 0.000 0.441 313 G N 0.181 108.971 108.800 -0.017 0.000 2.408 313 G HA2 -0.252 3.712 3.960 0.007 0.000 0.217 313 G HA3 -0.252 3.712 3.960 0.007 0.000 0.217 313 G C 1.560 176.443 174.900 -0.029 0.000 1.150 313 G CA 0.875 45.942 45.100 -0.055 0.000 0.776 313 G HN 0.593 nan 8.290 nan 0.000 0.542 314 E N 0.344 120.566 120.200 0.037 0.000 2.072 314 E HA -0.120 4.234 4.350 0.007 0.000 0.191 314 E C 2.539 179.268 176.600 0.216 0.000 0.985 314 E CA 1.195 57.683 56.400 0.146 0.000 0.801 314 E CB -0.249 29.640 29.700 0.315 0.000 0.750 314 E HN 0.342 nan 8.360 nan 0.000 0.452 315 S N -0.449 115.415 115.700 0.273 0.000 2.356 315 S HA -0.110 4.364 4.470 0.007 0.000 0.223 315 S C 2.060 176.750 174.600 0.151 0.000 1.032 315 S CA 1.528 59.892 58.200 0.274 0.000 1.005 315 S CB -0.764 62.636 63.200 0.332 0.000 0.867 315 S HN 0.483 nan 8.310 nan 0.000 0.449 316 G N 0.729 109.596 108.800 0.112 0.000 2.469 316 G HA2 -0.128 3.837 3.960 0.007 0.000 0.219 316 G HA3 -0.128 3.837 3.960 0.007 0.000 0.219 316 G C 1.637 176.559 174.900 0.036 0.000 1.150 316 G CA 1.127 46.262 45.100 0.057 0.000 0.763 316 G HN 0.732 nan 8.290 nan 0.000 0.561 317 A N 0.377 123.214 122.820 0.028 0.000 1.930 317 A HA 0.218 4.542 4.320 0.007 0.000 0.215 317 A C 2.393 180.003 177.584 0.044 0.000 1.176 317 A CA 0.982 53.022 52.037 0.005 0.000 0.632 317 A CB -0.221 18.750 19.000 -0.048 0.000 0.819 317 A HN 0.362 nan 8.150 nan 0.000 0.445 318 I N -0.385 120.236 120.570 0.085 0.000 2.252 318 I HA -0.198 3.976 4.170 0.007 0.000 0.245 318 I C 2.326 178.477 176.117 0.056 0.000 1.102 318 I CA 1.001 62.352 61.300 0.084 0.000 1.385 318 I CB -0.343 37.723 38.000 0.110 0.000 1.064 318 I HN 0.132 nan 8.210 nan 0.000 0.414 319 V N 1.169 121.117 119.914 0.057 0.000 2.287 319 V HA -0.312 3.812 4.120 0.007 0.000 0.248 319 V C 2.669 178.780 176.094 0.028 0.000 1.053 319 V CA 2.152 64.477 62.300 0.041 0.000 1.027 319 V CB -0.983 30.868 31.823 0.047 0.000 0.646 319 V HN 0.517 nan 8.190 nan 0.000 0.447 320 A N -0.842 121.992 122.820 0.023 0.000 2.066 320 A HA -0.048 4.276 4.320 0.007 0.000 0.218 320 A C 2.185 179.774 177.584 0.007 0.000 1.157 320 A CA 1.774 53.817 52.037 0.010 0.000 0.670 320 A CB -0.228 18.772 19.000 0.000 0.000 0.804 320 A HN 0.399 nan 8.150 nan 0.000 0.453 321 V N -1.337 118.584 119.914 0.012 0.000 2.922 321 V HA 0.112 4.236 4.120 0.007 0.000 0.242 321 V C 1.965 178.067 176.094 0.013 0.000 1.094 321 V CA 0.871 63.176 62.300 0.009 0.000 1.106 321 V CB -0.160 31.671 31.823 0.012 0.000 0.799 321 V HN 0.479 nan 8.190 nan 0.000 0.474 322 L N -0.310 120.925 121.223 0.021 0.000 2.609 322 L HA 0.570 4.914 4.340 0.007 0.000 0.230 322 L C 1.127 178.010 176.870 0.021 0.000 1.087 322 L CA 0.754 55.607 54.840 0.022 0.000 0.874 322 L CB 0.323 42.400 42.059 0.031 0.000 1.114 322 L HN 0.542 nan 8.230 nan 0.000 0.488 323 G N 1.094 109.906 108.800 0.021 0.000 2.685 323 G HA2 -0.236 3.728 3.960 0.007 0.000 0.387 323 G HA3 -0.236 3.728 3.960 0.007 0.000 0.387 323 G C -0.037 174.876 174.900 0.021 0.000 1.324 323 G CA -0.277 44.834 45.100 0.019 0.000 0.878 323 G HN 0.191 nan 8.290 nan 0.000 0.527 324 K N 0.056 120.466 120.400 0.017 0.000 2.374 324 K HA 0.185 4.509 4.320 0.007 0.000 0.196 324 K C 1.459 178.063 176.600 0.007 0.000 1.023 324 K CA 0.554 56.849 56.287 0.014 0.000 1.103 324 K CB 0.504 33.013 32.500 0.014 0.000 0.848 324 K HN 0.424 nan 8.250 nan 0.000 0.528 325 E N 0.720 120.926 120.200 0.010 0.000 2.162 325 E HA -0.011 4.343 4.350 0.007 0.000 0.193 325 E C 0.689 177.298 176.600 0.014 0.000 0.953 325 E CA 0.168 56.573 56.400 0.009 0.000 0.849 325 E CB -0.071 29.636 29.700 0.012 0.000 0.810 325 E HN -0.002 nan 8.360 nan 0.000 0.470 326 V N 4.386 124.315 119.914 0.025 0.000 2.644 326 V HA -0.011 4.113 4.120 0.007 0.000 0.305 326 V C -2.384 173.737 176.094 0.045 0.000 1.053 326 V CA -1.071 61.256 62.300 0.044 0.000 1.186 326 V CB 0.472 32.325 31.823 0.050 0.000 0.895 326 V HN -0.055 nan 8.190 nan 0.000 0.490 327 P HA 0.270 nan 4.420 nan 0.000 0.271 327 P C -1.228 176.161 177.300 0.149 0.000 1.216 327 P CA 0.097 63.249 63.100 0.086 0.000 0.771 327 P CB 0.789 32.546 31.700 0.095 0.000 0.864 328 V N 2.759 122.715 119.914 0.071 0.000 2.638 328 V HA 0.645 4.769 4.120 0.007 0.000 0.306 328 V C -0.191 175.937 176.094 0.057 0.000 1.052 328 V CA -0.433 61.888 62.300 0.035 0.000 0.885 328 V CB 1.915 33.680 31.823 -0.097 0.000 0.999 328 V HN 0.712 nan 8.190 nan 0.000 0.424 329 S N 2.229 118.040 115.700 0.186 0.000 2.541 329 S HA 0.727 5.201 4.470 0.007 0.000 0.271 329 S C -0.821 173.926 174.600 0.245 0.000 1.133 329 S CA -0.659 57.668 58.200 0.211 0.000 0.876 329 S CB 2.071 65.412 63.200 0.234 0.000 1.105 329 S HN 0.794 nan 8.310 nan 0.000 0.470 330 S N 1.234 117.099 115.700 0.275 0.000 2.474 330 S HA 0.460 4.934 4.470 0.007 0.000 0.321 330 S C 0.939 175.663 174.600 0.205 0.000 1.080 330 S CA -0.162 58.171 58.200 0.222 0.000 1.106 330 S CB 0.434 63.768 63.200 0.224 0.000 0.984 330 S HN 0.972 nan 8.310 nan 0.000 0.464 331 T N 2.534 117.193 114.554 0.174 0.000 3.160 331 T HA 0.139 4.493 4.350 0.007 0.000 0.257 331 T C 1.221 176.044 174.700 0.204 0.000 1.147 331 T CA 0.249 62.473 62.100 0.208 0.000 1.064 331 T CB -0.212 68.691 68.868 0.059 0.000 0.949 331 T HN 0.616 nan 8.240 nan 0.000 0.526 332 K N 1.756 122.222 120.400 0.109 0.000 2.362 332 K HA -0.027 4.297 4.320 0.007 0.000 0.200 332 K C 2.522 179.168 176.600 0.076 0.000 1.046 332 K CA 1.119 57.441 56.287 0.058 0.000 0.952 332 K CB -0.125 32.327 32.500 -0.080 0.000 0.753 332 K HN 0.596 nan 8.250 nan 0.000 0.466 333 S N -0.033 115.721 115.700 0.091 0.000 2.447 333 S HA -0.093 4.381 4.470 0.007 0.000 0.233 333 S C 1.592 176.133 174.600 -0.099 0.000 1.006 333 S CA 0.775 58.969 58.200 -0.010 0.000 0.957 333 S CB -0.255 62.920 63.200 -0.042 0.000 0.773 333 S HN 0.157 nan 8.310 nan 0.000 0.507 334 F N 2.265 122.195 119.950 -0.033 0.000 2.298 334 F HA 0.142 4.672 4.527 0.006 0.000 0.282 334 F C 2.999 178.785 175.800 -0.022 0.000 1.045 334 F CA 1.170 59.138 58.000 -0.055 0.000 1.280 334 F CB -0.814 38.114 39.000 -0.120 0.000 1.114 334 F HN 0.297 nan 8.300 nan 0.000 0.546 335 T N -2.003 112.689 114.554 0.229 0.000 3.067 335 T HA 0.451 4.805 4.350 0.007 0.000 0.261 335 T C 1.196 175.977 174.700 0.135 0.000 1.110 335 T CA 0.482 62.686 62.100 0.173 0.000 1.113 335 T CB -0.644 68.341 68.868 0.195 0.000 0.917 335 T HN 0.527 nan 8.240 nan 0.000 0.499 336 G N 0.897 109.768 108.800 0.119 0.000 2.741 336 G HA2 -0.230 3.734 3.960 0.007 0.000 0.222 336 G HA3 -0.230 3.734 3.960 0.007 0.000 0.222 336 G C -0.573 174.418 174.900 0.151 0.000 1.364 336 G CA -0.290 44.887 45.100 0.128 0.000 0.866 336 G HN 0.901 nan 8.290 nan 0.000 0.555 337 H N 0.375 119.472 119.070 0.044 0.000 2.690 337 H HA 0.468 5.028 4.556 0.007 0.000 0.289 337 H C 1.420 176.725 175.328 -0.038 0.000 1.089 337 H CA -1.064 54.935 56.048 -0.082 0.000 1.299 337 H CB 0.186 29.736 29.762 -0.353 0.000 1.405 337 H HN 0.331 nan 8.280 nan 0.000 0.463 338 L N 6.338 127.694 121.223 0.223 0.000 2.627 338 L HA -0.066 4.279 4.340 0.007 0.000 0.232 338 L C 0.632 177.533 176.870 0.051 0.000 1.150 338 L CA 0.137 55.049 54.840 0.120 0.000 0.917 338 L CB -0.537 41.602 42.059 0.133 0.000 1.104 338 L HN 0.744 nan 8.230 nan 0.000 0.445 339 L N 0.001 121.158 121.223 -0.110 0.000 5.712 339 L HA -0.325 4.020 4.340 0.007 0.000 0.053 339 L C 2.019 178.917 176.870 0.047 0.000 2.787 339 L CA 2.176 56.880 54.840 -0.227 0.000 1.527 339 L CB -2.109 39.830 42.059 -0.199 0.000 2.908 339 L HN 0.290 nan 8.230 nan 0.000 0.994 340 G N -1.438 107.398 108.800 0.060 0.000 2.498 340 G HA2 0.083 4.047 3.960 0.007 0.000 0.219 340 G HA3 0.083 4.047 3.960 0.007 0.000 0.219 340 G C 1.153 176.113 174.900 0.101 0.000 1.119 340 G CA 1.435 46.588 45.100 0.089 0.000 0.766 340 G HN 1.001 nan 8.290 nan 0.000 0.552 341 A N 0.238 123.123 122.820 0.109 0.000 2.195 341 A HA 0.660 4.984 4.320 0.007 0.000 0.210 341 A C 2.554 180.202 177.584 0.106 0.000 1.165 341 A CA 1.252 53.354 52.037 0.109 0.000 0.806 341 A CB -0.213 18.860 19.000 0.120 0.000 0.847 341 A HN 0.523 nan 8.150 nan 0.000 0.482 342 A N 0.257 123.156 122.820 0.131 0.000 1.884 342 A HA -0.032 4.292 4.320 0.007 0.000 0.219 342 A C 2.351 179.999 177.584 0.106 0.000 1.197 342 A CA 2.154 54.276 52.037 0.141 0.000 0.637 342 A CB -1.383 17.737 19.000 0.200 0.000 0.827 342 A HN 0.752 nan 8.150 nan 0.000 0.450 343 G N -1.059 107.799 108.800 0.097 0.000 2.408 343 G HA2 0.054 4.018 3.960 0.007 0.000 0.217 343 G HA3 0.054 4.018 3.960 0.007 0.000 0.217 343 G C 1.714 176.658 174.900 0.073 0.000 1.150 343 G CA 1.460 46.609 45.100 0.081 0.000 0.776 343 G HN 0.840 nan 8.290 nan 0.000 0.542 344 A N 0.272 123.127 122.820 0.058 0.000 1.855 344 A HA 0.080 4.404 4.320 0.007 0.000 0.215 344 A C 2.592 180.166 177.584 -0.017 0.000 1.191 344 A CA 1.858 53.913 52.037 0.030 0.000 0.613 344 A CB -0.692 18.329 19.000 0.034 0.000 0.829 344 A HN 0.253 nan 8.150 nan 0.000 0.442 345 V N 0.113 120.025 119.914 -0.003 0.000 2.427 345 V HA -0.245 3.880 4.120 0.007 0.000 0.248 345 V C 2.309 178.426 176.094 0.039 0.000 1.051 345 V CA 2.234 64.511 62.300 -0.038 0.000 1.048 345 V CB -0.898 30.946 31.823 0.035 0.000 0.666 345 V HN 0.627 nan 8.190 nan 0.000 0.456 346 E N 0.202 120.447 120.200 0.074 0.000 2.208 346 E HA -0.081 4.273 4.350 0.007 0.000 0.193 346 E C 2.291 178.905 176.600 0.024 0.000 0.988 346 E CA 1.000 57.452 56.400 0.087 0.000 0.828 346 E CB -0.270 29.480 29.700 0.083 0.000 0.763 346 E HN 0.610 nan 8.360 nan 0.000 0.478 347 A N 0.994 123.810 122.820 -0.005 0.000 1.930 347 A HA -0.158 4.166 4.320 0.007 0.000 0.217 347 A C 2.113 179.510 177.584 -0.311 0.000 1.175 347 A CA 0.944 52.907 52.037 -0.124 0.000 0.627 347 A CB -0.433 18.607 19.000 0.066 0.000 0.815 347 A HN 0.141 nan 8.150 nan 0.000 0.443 348 I N -0.491 119.922 120.570 -0.261 0.000 2.202 348 I HA -0.204 3.970 4.170 0.007 0.000 0.242 348 I C 2.356 178.388 176.117 -0.141 0.000 1.091 348 I CA 1.066 62.109 61.300 -0.429 0.000 1.368 348 I CB -0.401 37.250 38.000 -0.582 0.000 1.058 348 I HN 0.146 nan 8.210 nan 0.000 0.410 349 V N 0.719 120.701 119.914 0.114 0.000 2.282 349 V HA -0.344 3.781 4.120 0.007 0.000 0.249 349 V C 2.510 178.713 176.094 0.183 0.000 1.057 349 V CA 2.668 65.130 62.300 0.270 0.000 1.032 349 V CB -1.126 30.838 31.823 0.235 0.000 0.645 349 V HN 0.489 nan 8.190 nan 0.000 0.447 350 T N -0.022 114.551 114.554 0.032 0.000 2.777 350 T HA -0.074 4.280 4.350 0.007 0.000 0.266 350 T C 1.828 176.463 174.700 -0.108 0.000 1.040 350 T CA 1.669 63.777 62.100 0.014 0.000 1.141 350 T CB -0.258 68.453 68.868 -0.262 0.000 0.868 350 T HN 0.341 nan 8.240 nan 0.000 0.444 351 I N 0.935 121.332 120.570 -0.290 0.000 2.226 351 I HA -0.139 4.035 4.170 0.007 0.000 0.245 351 I C 2.771 178.843 176.117 -0.075 0.000 1.100 351 I CA 1.140 62.308 61.300 -0.220 0.000 1.374 351 I CB -0.319 37.530 38.000 -0.252 0.000 1.057 351 I HN 0.176 nan 8.210 nan 0.000 0.413 352 E N 0.974 121.152 120.200 -0.037 0.000 2.077 352 E HA -0.212 4.142 4.350 0.007 0.000 0.193 352 E C 2.333 178.856 176.600 -0.128 0.000 0.989 352 E CA 1.476 57.841 56.400 -0.058 0.000 0.800 352 E CB -0.272 29.486 29.700 0.096 0.000 0.746 352 E HN 0.500 nan 8.360 nan 0.000 0.452 353 A N 1.085 123.960 122.820 0.091 0.000 1.940 353 A HA -0.160 4.164 4.320 0.007 0.000 0.219 353 A C 2.246 179.863 177.584 0.054 0.000 1.176 353 A CA 1.499 53.622 52.037 0.142 0.000 0.631 353 A CB -0.485 18.562 19.000 0.078 0.000 0.814 353 A HN 0.171 nan 8.150 nan 0.000 0.446 354 M N -1.339 118.280 119.600 0.031 0.000 2.229 354 M HA -0.105 4.380 4.480 0.007 0.000 0.264 354 M C 2.264 178.553 176.300 -0.019 0.000 1.063 354 M CA 1.275 56.589 55.300 0.025 0.000 1.114 354 M CB -0.242 32.376 32.600 0.030 0.000 1.387 354 M HN 0.374 nan 8.290 nan 0.000 0.420 355 R N -1.069 119.382 120.500 -0.081 0.000 2.127 355 R HA -0.002 4.342 4.340 0.007 0.000 0.217 355 R C 1.664 177.816 176.300 -0.247 0.000 1.074 355 R CA 0.682 56.684 56.100 -0.163 0.000 0.991 355 R CB -0.161 30.008 30.300 -0.219 0.000 0.895 355 R HN 0.472 nan 8.270 nan 0.000 0.450 356 H N 1.182 120.095 119.070 -0.262 0.000 2.547 356 H HA 0.117 4.677 4.556 0.006 0.000 0.266 356 H C -0.144 175.177 175.328 -0.011 0.000 0.988 356 H CA 0.127 56.049 56.048 -0.210 0.000 1.147 356 H CB 0.133 29.669 29.762 -0.377 0.000 1.365 356 H HN 0.190 nan 8.280 nan 0.000 0.589 357 N N 0.310 119.082 118.700 0.120 0.000 2.667 357 N HA -0.244 4.500 4.740 0.007 0.000 0.263 357 N C -1.041 174.646 175.510 0.294 0.000 1.038 357 N CA 0.825 53.962 53.050 0.144 0.000 0.749 357 N CB -1.659 36.887 38.487 0.097 0.000 0.892 357 N HN 0.248 nan 8.380 nan 0.000 0.546 358 F N -0.398 119.580 119.950 0.047 0.000 2.639 358 F HA 0.267 4.797 4.527 0.007 0.000 0.326 358 F C -1.034 174.739 175.800 -0.044 0.000 1.150 358 F CA -0.749 57.288 58.000 0.061 0.000 1.057 358 F CB 1.311 40.441 39.000 0.217 0.000 1.300 358 F HN -0.136 nan 8.300 nan 0.000 0.486 359 V N 7.499 127.034 119.914 -0.632 0.000 2.368 359 V HA 0.360 4.484 4.120 0.007 0.000 0.266 359 V C -2.094 173.513 176.094 -0.812 0.000 1.045 359 V CA -1.708 60.131 62.300 -0.769 0.000 0.899 359 V CB 0.988 32.439 31.823 -0.619 0.000 1.006 359 V HN 0.511 nan 8.190 nan 0.000 0.470 360 P HA 0.184 nan 4.420 nan 0.000 0.271 360 P C -0.004 177.168 177.300 -0.213 0.000 1.218 360 P CA -0.271 62.589 63.100 -0.401 0.000 0.780 360 P CB 0.483 31.946 31.700 -0.395 0.000 0.901 361 M N -0.226 119.329 119.600 -0.075 0.000 2.157 361 M HA 0.334 4.818 4.480 0.007 0.000 0.304 361 M C -0.297 176.127 176.300 0.207 0.000 1.171 361 M CA 0.425 55.755 55.300 0.050 0.000 1.157 361 M CB -0.150 32.495 32.600 0.075 0.000 1.403 361 M HN 0.037 nan 8.290 nan 0.000 0.473 362 T N 2.160 116.820 114.554 0.177 0.000 2.723 362 T HA 0.542 4.896 4.350 0.007 0.000 0.297 362 T C 0.198 174.944 174.700 0.077 0.000 0.925 362 T CA -0.470 61.740 62.100 0.184 0.000 1.030 362 T CB 0.284 69.269 68.868 0.195 0.000 0.905 362 T HN 0.720 nan 8.240 nan 0.000 0.502 363 A N 2.714 125.475 122.820 -0.098 0.000 2.366 363 A HA 0.641 4.965 4.320 0.007 0.000 0.249 363 A C 1.659 179.137 177.584 -0.177 0.000 1.084 363 A CA 0.194 52.053 52.037 -0.297 0.000 0.794 363 A CB -0.541 17.942 19.000 -0.862 0.000 1.034 363 A HN 1.346 nan 8.150 nan 0.000 0.491 364 G N 0.021 108.728 108.800 -0.154 0.000 2.609 364 G HA2 -0.274 3.690 3.960 0.007 0.000 0.235 364 G HA3 -0.274 3.690 3.960 0.007 0.000 0.235 364 G C 0.707 175.553 174.900 -0.091 0.000 1.177 364 G CA 0.890 45.922 45.100 -0.114 0.000 0.707 364 G HN 1.336 nan 8.290 nan 0.000 0.513 365 T N 1.843 116.343 114.554 -0.089 0.000 2.867 365 T HA 0.450 4.804 4.350 0.007 0.000 0.297 365 T C 1.523 176.053 174.700 -0.282 0.000 0.989 365 T CA 1.039 63.040 62.100 -0.165 0.000 1.159 365 T CB 1.218 70.007 68.868 -0.133 0.000 0.928 365 T HN 1.091 nan 8.240 nan 0.000 0.538 366 S N 2.078 117.584 115.700 -0.323 0.000 2.613 366 S HA 0.258 4.732 4.470 0.007 0.000 0.235 366 S C 0.301 174.655 174.600 -0.410 0.000 1.073 366 S CA -0.487 57.544 58.200 -0.283 0.000 0.899 366 S CB 0.523 63.660 63.200 -0.105 0.000 0.818 366 S HN 0.676 nan 8.310 nan 0.000 0.484 367 E N 1.090 121.062 120.200 -0.380 0.000 2.274 367 E HA 0.502 4.856 4.350 0.007 0.000 0.269 367 E C -1.574 174.877 176.600 -0.249 0.000 0.891 367 E CA -0.529 55.704 56.400 -0.279 0.000 0.784 367 E CB 2.477 32.103 29.700 -0.125 0.000 1.225 367 E HN 0.148 nan 8.360 nan 0.000 0.412 368 V N 2.480 122.263 119.914 -0.217 0.000 2.881 368 V HA 0.123 4.247 4.120 0.007 0.000 0.303 368 V C 0.505 176.520 176.094 -0.132 0.000 1.070 368 V CA -0.304 61.923 62.300 -0.122 0.000 1.074 368 V CB 1.631 33.431 31.823 -0.039 0.000 1.012 368 V HN 0.706 nan 8.190 nan 0.000 0.482 369 S N 2.469 118.059 115.700 -0.183 0.000 2.558 369 S HA -0.038 4.436 4.470 0.007 0.000 0.291 369 S C 0.948 175.295 174.600 -0.422 0.000 1.306 369 S CA -0.365 57.600 58.200 -0.392 0.000 1.056 369 S CB 0.250 63.001 63.200 -0.748 0.000 0.836 369 S HN 0.842 nan 8.310 nan 0.000 0.504 370 D N 1.335 121.510 120.400 -0.375 0.000 2.182 370 D HA -0.129 4.515 4.640 0.007 0.000 0.201 370 D C 1.553 177.772 176.300 -0.135 0.000 0.986 370 D CA 1.417 55.304 54.000 -0.188 0.000 0.847 370 D CB -0.210 40.540 40.800 -0.084 0.000 0.942 370 D HN 0.865 nan 8.370 nan 0.000 0.467 371 Y N -0.313 120.007 120.300 0.033 0.000 2.544 371 Y HA 0.266 4.820 4.550 0.006 0.000 0.286 371 Y C 0.894 176.821 175.900 0.046 0.000 1.141 371 Y CA -0.540 57.580 58.100 0.033 0.000 1.299 371 Y CB -0.781 37.694 38.460 0.025 0.000 1.030 371 Y HN -0.164 nan 8.280 nan 0.000 0.543 372 I N 2.540 123.138 120.570 0.047 0.000 2.379 372 I HA 0.036 4.210 4.170 0.007 0.000 0.290 372 I C 0.531 176.700 176.117 0.086 0.000 1.063 372 I CA 0.413 61.801 61.300 0.146 0.000 1.351 372 I CB 1.106 39.181 38.000 0.125 0.000 1.410 372 I HN 0.315 nan 8.210 nan 0.000 0.505 373 E N 4.483 124.742 120.200 0.099 0.000 2.473 373 E HA 0.180 4.534 4.350 0.007 0.000 0.204 373 E C 0.650 177.270 176.600 0.033 0.000 0.994 373 E CA -0.248 56.188 56.400 0.059 0.000 0.945 373 E CB 0.640 30.378 29.700 0.063 0.000 0.990 373 E HN 0.753 nan 8.360 nan 0.000 0.493 374 A N 1.957 124.794 122.820 0.029 0.000 2.445 374 A HA 0.039 4.363 4.320 0.007 0.000 0.242 374 A C 0.354 177.902 177.584 -0.060 0.000 1.075 374 A CA -0.249 51.779 52.037 -0.015 0.000 0.777 374 A CB 0.087 19.069 19.000 -0.029 0.000 1.013 374 A HN 0.065 nan 8.150 nan 0.000 0.493 375 N N 1.966 120.633 118.700 -0.054 0.000 2.819 375 N HA 0.153 4.897 4.740 0.007 0.000 0.284 375 N C -0.716 174.732 175.510 -0.104 0.000 1.196 375 N CA 0.057 53.070 53.050 -0.061 0.000 1.114 375 N CB -0.463 38.003 38.487 -0.036 0.000 1.437 375 N HN 0.276 nan 8.380 nan 0.000 0.518 376 V N 3.316 123.143 119.914 -0.145 0.000 2.439 376 V HA 0.072 4.196 4.120 0.007 0.000 0.271 376 V C 0.322 176.392 176.094 -0.040 0.000 1.040 376 V CA -0.606 61.570 62.300 -0.206 0.000 1.002 376 V CB 0.899 32.518 31.823 -0.340 0.000 1.000 376 V HN 0.203 nan 8.190 nan 0.000 0.477 377 V N 8.236 128.119 119.914 -0.052 0.000 2.427 377 V HA 0.348 4.472 4.120 0.007 0.000 0.268 377 V C -0.198 175.919 176.094 0.039 0.000 1.046 377 V CA -0.068 62.187 62.300 -0.074 0.000 0.970 377 V CB -0.345 31.427 31.823 -0.085 0.000 1.001 377 V HN 0.871 nan 8.190 nan 0.000 0.476 378 Y N 2.070 122.337 120.300 -0.054 0.000 2.715 378 Y HA 0.858 5.411 4.550 0.006 0.000 0.331 378 Y C 0.998 176.878 175.900 -0.032 0.000 1.197 378 Y CA -0.424 57.656 58.100 -0.034 0.000 1.079 378 Y CB 1.205 39.650 38.460 -0.025 0.000 1.298 378 Y HN 0.774 nan 8.280 nan 0.000 0.477 379 G N 0.386 109.322 108.800 0.227 0.000 3.078 379 G HA2 -0.230 3.734 3.960 0.007 0.000 0.227 379 G HA3 -0.230 3.734 3.960 0.007 0.000 0.227 379 G C -0.209 174.708 174.900 0.029 0.000 1.306 379 G CA 0.839 45.998 45.100 0.099 0.000 0.841 379 G HN 0.896 nan 8.290 nan 0.000 0.530 380 Q N -0.682 119.106 119.800 -0.020 0.000 2.522 380 Q HA 0.544 4.888 4.340 0.007 0.000 0.285 380 Q C 0.182 176.135 176.000 -0.078 0.000 0.982 380 Q CA -0.652 55.146 55.803 -0.008 0.000 0.805 380 Q CB 1.404 30.145 28.738 0.006 0.000 1.457 380 Q HN 0.804 nan 8.270 nan 0.000 0.394 381 G N 0.512 109.251 108.800 -0.101 0.000 2.683 381 G HA2 0.519 4.483 3.960 0.007 0.000 0.260 381 G HA3 0.519 4.483 3.960 0.007 0.000 0.260 381 G C -0.743 173.891 174.900 -0.444 0.000 1.238 381 G CA -0.335 44.480 45.100 -0.474 0.000 0.934 381 G HN 0.336 nan 8.290 nan 0.000 0.534 382 L N -0.208 120.581 121.223 -0.723 0.000 2.436 382 L HA 0.328 4.672 4.340 0.007 0.000 0.268 382 L C -0.462 176.307 176.870 -0.168 0.000 0.974 382 L CA -0.581 54.085 54.840 -0.291 0.000 0.826 382 L CB 2.499 44.424 42.059 -0.224 0.000 1.291 382 L HN 0.585 nan 8.230 nan 0.000 0.406 383 E N 3.872 124.152 120.200 0.134 0.000 2.289 383 E HA 0.419 4.773 4.350 0.007 0.000 0.278 383 E C -0.937 175.726 176.600 0.105 0.000 1.032 383 E CA -0.205 56.346 56.400 0.252 0.000 0.854 383 E CB 1.201 31.038 29.700 0.229 0.000 1.046 383 E HN 0.413 nan 8.360 nan 0.000 0.409 384 K N 1.369 121.831 120.400 0.104 0.000 2.660 384 K HA 0.246 4.570 4.320 0.007 0.000 0.285 384 K C -1.164 175.474 176.600 0.062 0.000 0.997 384 K CA -1.036 55.287 56.287 0.060 0.000 0.861 384 K CB 0.790 33.306 32.500 0.028 0.000 1.469 384 K HN 0.058 nan 8.250 nan 0.000 0.395 385 E N 1.861 122.091 120.200 0.051 0.000 2.376 385 E HA 0.142 4.496 4.350 0.007 0.000 0.266 385 E C -0.187 176.449 176.600 0.060 0.000 1.009 385 E CA 0.135 56.563 56.400 0.047 0.000 0.902 385 E CB 0.570 30.292 29.700 0.037 0.000 0.972 385 E HN 0.462 nan 8.360 nan 0.000 0.439 386 I N 4.436 125.043 120.570 0.062 0.000 2.698 386 I HA 0.136 4.310 4.170 0.007 0.000 0.276 386 I C -1.969 174.191 176.117 0.072 0.000 1.166 386 I CA -1.730 59.626 61.300 0.094 0.000 1.101 386 I CB 1.371 39.434 38.000 0.105 0.000 1.305 386 I HN 0.137 nan 8.210 nan 0.000 0.526 387 P HA -0.015 nan 4.420 nan 0.000 0.221 387 P C -0.637 176.551 177.300 -0.188 0.000 1.150 387 P CA 1.320 64.399 63.100 -0.036 0.000 0.800 387 P CB 0.149 31.894 31.700 0.076 0.000 0.787 388 Y N -1.820 118.546 120.300 0.110 0.000 2.544 388 Y HA 0.651 5.204 4.550 0.006 0.000 0.342 388 Y C -0.339 175.657 175.900 0.161 0.000 1.062 388 Y CA -1.174 57.005 58.100 0.133 0.000 1.023 388 Y CB 1.725 40.245 38.460 0.100 0.000 1.308 388 Y HN -0.246 nan 8.280 nan 0.000 0.457 389 A N 2.395 125.440 122.820 0.373 0.000 2.594 389 A HA 0.922 5.246 4.320 0.007 0.000 0.291 389 A C -1.626 176.140 177.584 0.303 0.000 1.105 389 A CA -0.741 51.475 52.037 0.299 0.000 0.694 389 A CB 1.572 20.760 19.000 0.312 0.000 1.291 389 A HN 0.809 nan 8.150 nan 0.000 0.410 390 I N -2.033 118.634 120.570 0.162 0.000 2.934 390 I HA 0.873 5.047 4.170 0.007 0.000 0.306 390 I C -0.560 175.608 176.117 0.085 0.000 1.110 390 I CA -0.672 60.719 61.300 0.153 0.000 1.019 390 I CB 2.306 40.346 38.000 0.066 0.000 1.227 390 I HN 0.534 nan 8.210 nan 0.000 0.434 391 S N 2.811 118.601 115.700 0.149 0.000 2.561 391 S HA 0.549 5.023 4.470 0.007 0.000 0.303 391 S C -1.065 173.541 174.600 0.009 0.000 1.110 391 S CA -0.684 57.565 58.200 0.082 0.000 1.034 391 S CB 0.891 64.216 63.200 0.207 0.000 1.010 391 S HN 0.712 nan 8.310 nan 0.000 0.482 392 N N 2.352 121.002 118.700 -0.083 0.000 2.456 392 N HA 0.585 5.329 4.740 0.007 0.000 0.296 392 N C -0.692 174.583 175.510 -0.390 0.000 1.102 392 N CA -0.344 52.539 53.050 -0.278 0.000 0.924 392 N CB 1.782 40.043 38.487 -0.376 0.000 1.186 392 N HN 0.730 nan 8.380 nan 0.000 0.492 393 T N -1.666 112.519 114.554 -0.614 0.000 2.916 393 T HA 0.686 5.040 4.350 0.007 0.000 0.298 393 T C -0.997 173.064 174.700 -1.065 0.000 1.031 393 T CA -0.718 60.974 62.100 -0.680 0.000 0.993 393 T CB 0.172 68.922 68.868 -0.198 0.000 1.045 393 T HN 0.289 nan 8.240 nan 0.000 0.454 394 F N 1.387 120.739 119.950 -0.997 0.000 2.646 394 F HA 0.605 5.135 4.527 0.005 0.000 0.364 394 F C 0.889 176.413 175.800 -0.460 0.000 1.137 394 F CA -1.020 56.639 58.000 -0.568 0.000 1.085 394 F CB 1.706 40.471 39.000 -0.392 0.000 1.331 394 F HN 1.003 nan 8.300 nan 0.000 0.472 395 G N 1.220 110.031 108.800 0.019 0.000 2.477 395 G HA2 0.489 4.453 3.960 0.007 0.000 0.304 395 G HA3 0.489 4.453 3.960 0.007 0.000 0.304 395 G C -0.759 174.221 174.900 0.133 0.000 1.175 395 G CA -0.569 44.628 45.100 0.163 0.000 0.907 395 G HN 0.352 nan 8.290 nan 0.000 0.509 396 F N 0.403 120.501 119.950 0.247 0.000 2.608 396 F HA 0.322 4.849 4.527 -0.001 0.000 0.380 396 F C 1.609 177.521 175.800 0.188 0.000 1.083 396 F CA 1.936 60.063 58.000 0.211 0.000 1.266 396 F CB 0.974 40.116 39.000 0.237 0.000 1.076 396 F HN 0.819 nan 8.300 nan 0.000 0.574 397 G N 1.221 110.132 108.800 0.185 0.000 2.179 397 G HA2 0.060 4.024 3.960 0.007 0.000 0.220 397 G HA3 0.060 4.024 3.960 0.007 0.000 0.220 397 G C 0.887 175.590 174.900 -0.329 0.000 0.990 397 G CA -0.018 45.069 45.100 -0.023 0.000 0.646 397 G HN 1.826 nan 8.290 nan 0.000 0.517 398 G N -0.746 107.921 108.800 -0.221 0.000 2.141 398 G HA2 -0.218 3.746 3.960 0.007 0.000 0.231 398 G HA3 -0.218 3.746 3.960 0.007 0.000 0.231 398 G C 0.074 174.844 174.900 -0.217 0.000 0.984 398 G CA 0.552 45.536 45.100 -0.193 0.000 0.660 398 G HN 1.345 nan 8.290 nan 0.000 0.525 399 H N 1.286 120.402 119.070 0.076 0.000 2.800 399 H HA 0.300 4.882 4.556 0.044 0.000 0.291 399 H C 0.041 175.431 175.328 0.105 0.000 1.076 399 H CA -0.057 56.039 56.048 0.080 0.000 1.452 399 H CB 0.423 30.237 29.762 0.086 0.000 1.461 399 H HN 0.260 nan 8.280 nan 0.000 0.488 400 N N 1.770 120.591 118.700 0.202 0.000 2.400 400 N HA 0.515 5.259 4.740 0.007 0.000 0.288 400 N C -0.626 174.996 175.510 0.187 0.000 1.024 400 N CA -0.505 52.706 53.050 0.268 0.000 0.894 400 N CB 2.565 41.182 38.487 0.217 0.000 1.173 400 N HN 0.635 nan 8.380 nan 0.000 0.487 401 A N 1.414 124.325 122.820 0.152 0.000 2.427 401 A HA 0.661 4.985 4.320 0.007 0.000 0.298 401 A C -1.093 176.548 177.584 0.094 0.000 1.036 401 A CA -0.569 51.556 52.037 0.146 0.000 0.701 401 A CB 1.189 20.302 19.000 0.188 0.000 1.250 401 A HN 0.335 nan 8.150 nan 0.000 0.412 402 V N 3.110 123.103 119.914 0.132 0.000 2.686 402 V HA 0.488 4.612 4.120 0.007 0.000 0.306 402 V C -0.578 175.566 176.094 0.083 0.000 1.065 402 V CA -0.353 61.994 62.300 0.078 0.000 0.894 402 V CB 1.692 33.558 31.823 0.071 0.000 1.004 402 V HN 0.808 nan 8.190 nan 0.000 0.424 403 L N 3.786 124.998 121.223 -0.018 0.000 2.322 403 L HA 0.879 5.223 4.340 0.007 0.000 0.281 403 L C 0.156 176.800 176.870 -0.377 0.000 1.014 403 L CA -0.588 54.099 54.840 -0.256 0.000 0.815 403 L CB 1.949 43.770 42.059 -0.397 0.000 1.247 403 L HN 0.771 nan 8.230 nan 0.000 0.421 404 A N 3.740 126.274 122.820 -0.477 0.000 2.318 404 A HA 0.824 5.148 4.320 0.007 0.000 0.317 404 A C -1.173 176.170 177.584 -0.402 0.000 1.159 404 A CA -0.300 51.575 52.037 -0.271 0.000 0.799 404 A CB 0.490 19.441 19.000 -0.081 0.000 1.194 404 A HN 0.495 nan 8.150 nan 0.000 0.479 405 F N 1.012 121.001 119.950 0.065 0.000 2.522 405 F HA 0.614 5.144 4.527 0.005 0.000 0.324 405 F C 0.407 176.271 175.800 0.106 0.000 1.077 405 F CA -0.613 57.417 58.000 0.051 0.000 0.944 405 F CB 2.270 41.291 39.000 0.034 0.000 1.175 405 F HN 0.520 nan 8.300 nan 0.000 0.468 406 K N 2.294 122.823 120.400 0.216 0.000 2.292 406 K HA 0.424 4.748 4.320 0.007 0.000 0.257 406 K C -0.388 176.192 176.600 -0.034 0.000 0.940 406 K CA -0.858 55.363 56.287 -0.110 0.000 0.811 406 K CB 1.528 33.959 32.500 -0.116 0.000 1.120 406 K HN 0.758 nan 8.250 nan 0.000 0.428 407 R N 3.523 123.931 120.500 -0.154 0.000 2.623 407 R HA -0.022 4.323 4.340 0.007 0.000 0.271 407 R C -0.802 175.532 176.300 0.056 0.000 1.043 407 R CA -0.159 55.925 56.100 -0.027 0.000 1.083 407 R CB 0.529 30.783 30.300 -0.077 0.000 0.974 407 R HN 0.647 nan 8.270 nan 0.000 0.436 408 W N 5.910 127.168 121.300 -0.069 0.000 2.390 408 W HA 0.184 4.849 4.660 0.008 0.000 0.312 408 W C -0.802 175.684 176.519 -0.055 0.000 1.123 408 W CA -0.342 56.971 57.345 -0.053 0.000 1.202 408 W CB 0.969 30.410 29.460 -0.031 0.000 1.251 408 W HN 0.739 nan 8.180 nan 0.000 0.511 409 E N 0.000 119.665 120.200 -0.892 0.000 2.725 409 E HA 0.000 4.354 4.350 0.007 0.000 0.291 409 E CA 0.000 55.997 56.400 -0.671 0.000 0.976 409 E CB 0.000 29.471 29.700 -0.382 0.000 0.812 409 E HN 0.000 nan 8.360 nan 0.000 0.440