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 2wzb_1_A DATA FIRST_RESID 2 DATA SEQUENCE LSNKLTLDKL DVKGKRVVMR VDFNVPMKNN QITNNQRIKA AVPSIKFCLD DATA SEQUENCE NGAKSVVLMS HLGRPDGVPM PDKYSLEPVA VELKSLLGKD VLFLKDCVGP DATA SEQUENCE EVEKACANPA AGSVILLENL RFHVEEEGKG XXXXXXXXXX EPAKIEAFRA DATA SEQUENCE SLSKLGDVYV NDAFGTAHRA HSSMVGVNLP QKAGGFLMKK ELNYFAKALE DATA SEQUENCE SPERPFLAIL GGAKVADKIQ LINNMLDKVN EMIIGGGMAF TFLKVLNNME DATA SEQUENCE IGTSLFDEEG AKIVKDLMSK AEKNGVKITL PVDFVTADKF DENAKTGQAT DATA SEQUENCE VASGIPAGWM GLDCGPESSK KYAEAVTRAK QIVWNGPVGV FEWEAFARGT DATA SEQUENCE KALMDEVVKA TSRGCITIIG GGDTATCCAK WNTEDKVSHV STGGGASLEL DATA SEQUENCE LEGKVLPGVD ALSNI 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 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.887 176.870 0.028 0.000 1.165 2 L CA 0.000 54.861 54.840 0.036 0.000 0.813 2 L CB 0.000 42.083 42.059 0.041 0.000 0.961 3 S N 1.032 116.745 115.700 0.023 0.000 2.400 3 S HA -0.122 4.407 4.470 0.097 0.000 0.232 3 S C 1.632 176.244 174.600 0.019 0.000 1.025 3 S CA 1.943 60.154 58.200 0.018 0.000 0.993 3 S CB -0.235 62.973 63.200 0.013 0.000 0.808 3 S HN 0.731 nan 8.310 nan 0.000 0.478 4 N N 0.689 119.402 118.700 0.020 0.000 2.336 4 N HA 0.033 4.832 4.740 0.097 0.000 0.189 4 N C -0.225 175.298 175.510 0.022 0.000 1.113 4 N CA 0.201 53.263 53.050 0.020 0.000 0.858 4 N CB 0.139 38.637 38.487 0.019 0.000 0.970 4 N HN 0.127 nan 8.380 nan 0.000 0.471 5 K N 0.905 121.320 120.400 0.026 0.000 2.259 5 K HA 0.276 4.655 4.320 0.097 0.000 0.249 5 K C -0.562 176.054 176.600 0.026 0.000 0.942 5 K CA -1.080 55.224 56.287 0.028 0.000 0.816 5 K CB 2.327 34.847 32.500 0.034 0.000 1.155 5 K HN 0.025 nan 8.250 nan 0.000 0.428 6 L N 2.383 123.621 121.223 0.026 0.000 2.540 6 L HA 0.074 4.473 4.340 0.097 0.000 0.276 6 L C 0.025 176.902 176.870 0.010 0.000 1.212 6 L CA 1.002 55.855 54.840 0.022 0.000 0.893 6 L CB 0.068 42.142 42.059 0.025 0.000 1.138 6 L HN 0.810 nan 8.230 nan 0.000 0.491 7 T N 1.862 116.418 114.554 0.003 0.000 2.916 7 T HA 0.343 4.751 4.350 0.097 0.000 0.292 7 T C 0.696 175.358 174.700 -0.064 0.000 1.064 7 T CA -0.644 61.441 62.100 -0.025 0.000 1.011 7 T CB 1.044 69.921 68.868 0.014 0.000 1.152 7 T HN 0.543 nan 8.240 nan 0.000 0.510 8 L N 1.360 122.461 121.223 -0.203 0.000 2.127 8 L HA -0.041 4.357 4.340 0.097 0.000 0.211 8 L C 2.136 178.873 176.870 -0.222 0.000 1.089 8 L CA 2.215 56.843 54.840 -0.354 0.000 0.757 8 L CB -1.066 40.445 42.059 -0.913 0.000 0.899 8 L HN 0.872 nan 8.230 nan 0.000 0.434 9 D N -1.180 119.201 120.400 -0.031 0.000 2.265 9 D HA -0.218 4.481 4.640 0.097 0.000 0.208 9 D C 1.025 177.406 176.300 0.135 0.000 0.977 9 D CA 0.968 55.025 54.000 0.094 0.000 0.871 9 D CB -0.222 40.652 40.800 0.123 0.000 0.925 9 D HN 0.359 nan 8.370 nan 0.000 0.485 10 K N -0.190 120.261 120.400 0.085 0.000 2.438 10 K HA 0.193 4.571 4.320 0.097 0.000 0.205 10 K C 0.099 176.745 176.600 0.077 0.000 1.033 10 K CA -0.592 55.745 56.287 0.083 0.000 1.089 10 K CB 0.916 33.450 32.500 0.056 0.000 0.857 10 K HN 0.140 nan 8.250 nan 0.000 0.522 11 L N 2.459 123.732 121.223 0.085 0.000 2.264 11 L HA 0.284 4.683 4.340 0.097 0.000 0.289 11 L C -0.477 176.458 176.870 0.109 0.000 1.044 11 L CA -0.403 54.481 54.840 0.074 0.000 0.807 11 L CB 0.932 43.015 42.059 0.040 0.000 1.192 11 L HN -0.061 nan 8.230 nan 0.000 0.425 12 D N 3.576 124.022 120.400 0.077 0.000 2.346 12 D HA 0.072 4.771 4.640 0.097 0.000 0.260 12 D C 0.826 177.159 176.300 0.055 0.000 1.252 12 D CA 0.185 54.225 54.000 0.066 0.000 0.895 12 D CB 1.033 41.859 40.800 0.044 0.000 1.097 12 D HN 0.430 nan 8.370 nan 0.000 0.489 13 V N 1.785 121.733 119.914 0.057 0.000 3.578 13 V HA 0.248 4.426 4.120 0.097 0.000 0.290 13 V C 0.904 177.005 176.094 0.012 0.000 1.376 13 V CA -0.504 61.819 62.300 0.038 0.000 1.083 13 V CB -0.663 31.192 31.823 0.054 0.000 0.911 13 V HN 0.343 nan 8.190 nan 0.000 0.433 14 K N 1.816 122.219 120.400 0.005 0.000 2.436 14 K HA 0.362 4.740 4.320 0.097 0.000 0.282 14 K C 1.319 177.919 176.600 -0.001 0.000 1.044 14 K CA 1.032 57.316 56.287 -0.007 0.000 1.028 14 K CB 0.005 32.500 32.500 -0.008 0.000 0.919 14 K HN 0.804 nan 8.250 nan 0.000 0.474 15 G N 3.302 112.099 108.800 -0.004 0.000 2.168 15 G HA2 -0.239 3.780 3.960 0.097 0.000 0.263 15 G HA3 -0.239 3.780 3.960 0.097 0.000 0.263 15 G C -0.312 174.589 174.900 0.002 0.000 0.977 15 G CA 0.247 45.346 45.100 -0.001 0.000 0.659 15 G HN 0.535 nan 8.290 nan 0.000 0.533 16 K N 0.373 120.776 120.400 0.005 0.000 2.138 16 K HA 0.451 4.830 4.320 0.097 0.000 0.263 16 K C 0.640 177.244 176.600 0.007 0.000 0.965 16 K CA -0.796 55.496 56.287 0.008 0.000 0.868 16 K CB 1.271 33.780 32.500 0.014 0.000 1.083 16 K HN 0.326 nan 8.250 nan 0.000 0.443 17 R N 0.978 121.482 120.500 0.006 0.000 2.347 17 R HA 0.232 4.630 4.340 0.097 0.000 0.304 17 R C -0.193 176.112 176.300 0.008 0.000 1.072 17 R CA -0.407 55.696 56.100 0.005 0.000 0.980 17 R CB 0.521 30.822 30.300 0.001 0.000 0.986 17 R HN 0.193 nan 8.270 nan 0.000 0.448 18 V N 4.397 124.314 119.914 0.005 0.000 2.398 18 V HA 0.221 4.399 4.120 0.097 0.000 0.286 18 V C -0.254 175.835 176.094 -0.008 0.000 1.026 18 V CA -0.730 61.569 62.300 -0.000 0.000 0.868 18 V CB 1.736 33.554 31.823 -0.009 0.000 0.982 18 V HN 0.467 nan 8.190 nan 0.000 0.443 19 V N 7.455 127.372 119.914 0.006 0.000 2.370 19 V HA 0.643 4.821 4.120 0.097 0.000 0.283 19 V C -0.332 175.725 176.094 -0.060 0.000 1.023 19 V CA -0.375 61.929 62.300 0.007 0.000 0.857 19 V CB 1.370 33.227 31.823 0.057 0.000 0.985 19 V HN 0.932 nan 8.190 nan 0.000 0.443 20 M N 7.551 127.079 119.600 -0.120 0.000 2.142 20 M HA 0.563 5.102 4.480 0.097 0.000 0.299 20 M C -0.763 175.401 176.300 -0.228 0.000 0.960 20 M CA -0.743 54.411 55.300 -0.244 0.000 0.920 20 M CB 1.215 33.698 32.600 -0.194 0.000 1.541 20 M HN 0.547 nan 8.290 nan 0.000 0.429 21 R N 3.774 124.103 120.500 -0.285 0.000 2.298 21 R HA 0.541 4.939 4.340 0.097 0.000 0.310 21 R C -1.228 174.940 176.300 -0.219 0.000 1.068 21 R CA 0.015 56.014 56.100 -0.170 0.000 0.957 21 R CB 0.446 30.718 30.300 -0.046 0.000 1.003 21 R HN 0.638 nan 8.270 nan 0.000 0.454 22 V N 0.026 119.770 119.914 -0.284 0.000 3.001 22 V HA 0.445 4.623 4.120 0.097 0.000 0.314 22 V C -0.341 175.593 176.094 -0.268 0.000 1.099 22 V CA -1.168 60.907 62.300 -0.374 0.000 0.989 22 V CB 2.357 33.666 31.823 -0.856 0.000 1.040 22 V HN 0.549 nan 8.190 nan 0.000 0.434 23 D N 1.891 122.227 120.400 -0.107 0.000 2.467 23 D HA 0.360 5.058 4.640 0.097 0.000 0.220 23 D C -0.602 175.804 176.300 0.177 0.000 1.103 23 D CA -0.353 53.658 54.000 0.018 0.000 0.886 23 D CB 0.698 41.557 40.800 0.097 0.000 1.025 23 D HN 0.467 nan 8.370 nan 0.000 0.514 24 F N 2.013 121.916 119.950 -0.079 0.000 2.750 24 F HA 0.173 4.726 4.527 0.042 0.000 0.297 24 F C 1.111 176.832 175.800 -0.132 0.000 1.138 24 F CA -0.899 57.057 58.000 -0.073 0.000 1.346 24 F CB -0.818 38.157 39.000 -0.041 0.000 0.965 24 F HN 0.241 nan 8.300 nan 0.000 0.514 25 N N 1.987 120.654 118.700 -0.055 0.000 2.971 25 N HA 0.109 4.907 4.740 0.097 0.000 0.294 25 N C -0.338 175.166 175.510 -0.011 0.000 1.210 25 N CA 0.082 53.048 53.050 -0.140 0.000 1.157 25 N CB -0.023 38.266 38.487 -0.331 0.000 1.450 25 N HN 0.057 nan 8.380 nan 0.000 0.527 26 V N 0.809 120.728 119.914 0.009 0.000 2.785 26 V HA 0.675 4.853 4.120 0.097 0.000 0.300 26 V C -2.017 174.089 176.094 0.021 0.000 1.062 26 V CA -1.890 60.415 62.300 0.007 0.000 1.029 26 V CB 0.875 32.681 31.823 -0.028 0.000 1.024 26 V HN 0.322 nan 8.190 nan 0.000 0.477 27 P HA 0.371 nan 4.420 nan 0.000 0.275 27 P C -0.926 176.381 177.300 0.012 0.000 1.228 27 P CA -0.142 62.973 63.100 0.025 0.000 0.786 27 P CB 0.825 32.540 31.700 0.025 0.000 0.927 28 M N 1.898 121.511 119.600 0.021 0.000 2.393 28 M HA 0.458 4.997 4.480 0.097 0.000 0.299 28 M C -0.283 176.022 176.300 0.009 0.000 1.103 28 M CA -0.560 54.748 55.300 0.014 0.000 0.910 28 M CB 2.996 35.615 32.600 0.032 0.000 1.659 28 M HN 0.355 nan 8.290 nan 0.000 0.445 29 K N 1.726 122.127 120.400 0.001 0.000 2.501 29 K HA 0.420 4.798 4.320 0.097 0.000 0.252 29 K C -0.492 176.117 176.600 0.015 0.000 0.934 29 K CA -0.266 56.030 56.287 0.015 0.000 0.797 29 K CB 1.392 33.892 32.500 -0.000 0.000 1.270 29 K HN 0.800 nan 8.250 nan 0.000 0.431 30 N N 3.020 121.737 118.700 0.028 0.000 2.696 30 N HA -0.286 4.513 4.740 0.097 0.000 0.249 30 N C -0.382 175.127 175.510 -0.002 0.000 1.090 30 N CA 0.835 53.892 53.050 0.011 0.000 0.716 30 N CB -0.832 37.657 38.487 0.005 0.000 1.020 30 N HN 0.890 nan 8.380 nan 0.000 0.548 31 N N -1.538 117.160 118.700 -0.003 0.000 2.909 31 N HA -0.200 4.598 4.740 0.097 0.000 0.242 31 N C -1.145 174.354 175.510 -0.018 0.000 0.975 31 N CA 1.569 54.611 53.050 -0.013 0.000 0.921 31 N CB -0.446 38.030 38.487 -0.019 0.000 1.112 31 N HN 0.593 nan 8.380 nan 0.000 0.581 32 Q N 0.525 120.315 119.800 -0.017 0.000 2.235 32 Q HA 0.410 4.809 4.340 0.097 0.000 0.256 32 Q C 0.529 176.513 176.000 -0.026 0.000 0.951 32 Q CA -0.688 55.100 55.803 -0.025 0.000 0.890 32 Q CB 1.425 30.148 28.738 -0.024 0.000 1.279 32 Q HN 0.330 nan 8.270 nan 0.000 0.444 33 I N 1.935 122.483 120.570 -0.036 0.000 2.598 33 I HA -0.093 4.135 4.170 0.097 0.000 0.284 33 I C 1.511 177.605 176.117 -0.037 0.000 1.140 33 I CA 0.437 61.713 61.300 -0.040 0.000 1.420 33 I CB 0.489 38.453 38.000 -0.060 0.000 1.387 33 I HN 0.759 nan 8.210 nan 0.000 0.553 34 T N 0.887 115.422 114.554 -0.032 0.000 3.044 34 T HA 0.110 4.518 4.350 0.097 0.000 0.250 34 T C 0.511 175.191 174.700 -0.034 0.000 1.081 34 T CA -0.094 61.986 62.100 -0.034 0.000 1.040 34 T CB -0.022 68.824 68.868 -0.038 0.000 0.962 34 T HN 0.528 nan 8.240 nan 0.000 0.506 35 N N 1.699 120.379 118.700 -0.034 0.000 2.578 35 N HA 0.213 5.012 4.740 0.097 0.000 0.282 35 N C -0.692 174.790 175.510 -0.047 0.000 1.119 35 N CA -0.480 52.548 53.050 -0.037 0.000 0.948 35 N CB 1.488 39.959 38.487 -0.027 0.000 1.546 35 N HN 0.165 nan 8.380 nan 0.000 0.525 36 N N 2.861 121.526 118.700 -0.058 0.000 2.322 36 N HA -0.044 4.754 4.740 0.097 0.000 0.194 36 N C 1.056 176.527 175.510 -0.065 0.000 1.126 36 N CA 0.133 53.136 53.050 -0.079 0.000 0.845 36 N CB 0.105 38.539 38.487 -0.089 0.000 0.976 36 N HN 0.711 nan 8.380 nan 0.000 0.475 37 Q N 1.291 121.065 119.800 -0.043 0.000 2.082 37 Q HA -0.220 4.178 4.340 0.097 0.000 0.211 37 Q C 1.540 177.539 176.000 -0.001 0.000 1.002 37 Q CA 1.801 57.587 55.803 -0.027 0.000 0.868 37 Q CB -0.069 28.651 28.738 -0.030 0.000 0.931 37 Q HN 0.441 nan 8.270 nan 0.000 0.414 38 R N -0.347 120.163 120.500 0.017 0.000 2.115 38 R HA -0.054 4.345 4.340 0.097 0.000 0.230 38 R C 2.384 178.754 176.300 0.118 0.000 1.111 38 R CA 1.332 57.484 56.100 0.087 0.000 0.976 38 R CB -0.159 30.210 30.300 0.116 0.000 0.870 38 R HN 0.405 nan 8.270 nan 0.000 0.445 39 I N 0.456 120.990 120.570 -0.060 0.000 2.193 39 I HA -0.249 3.979 4.170 0.097 0.000 0.240 39 I C 2.470 178.561 176.117 -0.044 0.000 1.084 39 I CA 1.123 62.269 61.300 -0.256 0.000 1.365 39 I CB -0.296 37.394 38.000 -0.516 0.000 1.064 39 I HN 0.053 nan 8.210 nan 0.000 0.410 40 K N 1.407 121.783 120.400 -0.040 0.000 2.113 40 K HA -0.227 4.152 4.320 0.097 0.000 0.208 40 K C 2.128 178.758 176.600 0.050 0.000 1.047 40 K CA 1.635 57.922 56.287 0.001 0.000 0.928 40 K CB -0.127 32.365 32.500 -0.013 0.000 0.716 40 K HN 0.349 nan 8.250 nan 0.000 0.446 41 A N 0.427 123.289 122.820 0.070 0.000 2.015 41 A HA -0.016 4.363 4.320 0.097 0.000 0.219 41 A C 2.090 179.750 177.584 0.126 0.000 1.163 41 A CA 1.564 53.653 52.037 0.088 0.000 0.646 41 A CB -0.399 18.654 19.000 0.089 0.000 0.806 41 A HN 0.439 nan 8.150 nan 0.000 0.448 42 A N -0.794 122.133 122.820 0.180 0.000 2.178 42 A HA 0.294 4.672 4.320 0.097 0.000 0.211 42 A C 1.932 179.613 177.584 0.162 0.000 1.157 42 A CA 0.878 53.027 52.037 0.186 0.000 0.780 42 A CB -0.437 18.736 19.000 0.288 0.000 0.828 42 A HN 0.260 nan 8.150 nan 0.000 0.476 43 V N 0.844 120.845 119.914 0.144 0.000 2.332 43 V HA -0.173 4.005 4.120 0.097 0.000 0.248 43 V C -0.168 176.012 176.094 0.143 0.000 1.055 43 V CA 2.569 64.944 62.300 0.125 0.000 1.038 43 V CB -1.305 30.569 31.823 0.085 0.000 0.651 43 V HN 0.371 nan 8.190 nan 0.000 0.450 44 P HA -0.097 nan 4.420 nan 0.000 0.215 44 P C 2.021 179.522 177.300 0.335 0.000 1.153 44 P CA 1.707 64.947 63.100 0.234 0.000 0.853 44 P CB -0.071 31.762 31.700 0.223 0.000 0.788 45 S N -0.873 114.963 115.700 0.226 0.000 2.368 45 S HA -0.102 4.427 4.470 0.097 0.000 0.224 45 S C 1.882 176.540 174.600 0.096 0.000 1.029 45 S CA 1.048 59.264 58.200 0.027 0.000 0.988 45 S CB -1.044 62.057 63.200 -0.164 0.000 0.838 45 S HN 0.105 nan 8.310 nan 0.000 0.462 46 I N 1.424 122.057 120.570 0.105 0.000 2.142 46 I HA -0.209 4.019 4.170 0.097 0.000 0.240 46 I C 2.434 178.626 176.117 0.125 0.000 1.078 46 I CA 1.230 62.589 61.300 0.098 0.000 1.343 46 I CB -0.308 37.755 38.000 0.105 0.000 1.046 46 I HN 0.188 nan 8.210 nan 0.000 0.405 47 K N 0.264 120.753 120.400 0.148 0.000 2.103 47 K HA -0.221 4.158 4.320 0.097 0.000 0.207 47 K C 2.163 178.862 176.600 0.165 0.000 1.048 47 K CA 1.701 58.069 56.287 0.135 0.000 0.930 47 K CB -0.348 32.229 32.500 0.129 0.000 0.716 47 K HN 0.197 nan 8.250 nan 0.000 0.444 48 F N 1.406 121.424 119.950 0.113 0.000 2.102 48 F HA -0.305 4.276 4.527 0.090 0.000 0.298 48 F C 2.274 178.116 175.800 0.070 0.000 1.105 48 F CA 1.337 59.422 58.000 0.141 0.000 1.239 48 F CB -0.319 38.866 39.000 0.309 0.000 0.991 48 F HN 0.010 nan 8.300 nan 0.000 0.474 49 C N 0.743 120.186 119.300 0.239 0.000 2.413 49 C HA -0.177 4.341 4.460 0.097 0.000 0.276 49 C C 2.769 177.754 174.990 -0.009 0.000 1.236 49 C CA 1.246 60.327 59.018 0.104 0.000 1.735 49 C CB -1.404 26.392 27.740 0.092 0.000 2.031 49 C HN 0.520 nan 8.230 nan 0.000 0.474 50 L N 0.539 121.768 121.223 0.010 0.000 2.046 50 L HA -0.140 4.259 4.340 0.097 0.000 0.208 50 L C 2.183 179.024 176.870 -0.049 0.000 1.077 50 L CA 1.443 56.277 54.840 -0.009 0.000 0.747 50 L CB -0.770 41.297 42.059 0.014 0.000 0.896 50 L HN 0.298 nan 8.230 nan 0.000 0.432 51 D N 0.074 120.428 120.400 -0.078 0.000 2.219 51 D HA -0.122 4.576 4.640 0.097 0.000 0.205 51 D C 1.161 177.356 176.300 -0.174 0.000 0.970 51 D CA 1.069 55.003 54.000 -0.110 0.000 0.851 51 D CB -0.257 40.477 40.800 -0.110 0.000 0.943 51 D HN 0.377 nan 8.370 nan 0.000 0.488 52 N N -0.865 117.678 118.700 -0.261 0.000 2.279 52 N HA 0.318 5.116 4.740 0.097 0.000 0.226 52 N C 0.674 176.105 175.510 -0.131 0.000 1.126 52 N CA 0.298 53.194 53.050 -0.256 0.000 0.846 52 N CB 1.262 39.463 38.487 -0.476 0.000 1.050 52 N HN 0.077 nan 8.380 nan 0.000 0.502 53 G N -0.318 108.429 108.800 -0.088 0.000 2.134 53 G HA2 -0.228 3.791 3.960 0.097 0.000 0.209 53 G HA3 -0.228 3.791 3.960 0.097 0.000 0.209 53 G C 0.244 175.127 174.900 -0.028 0.000 0.993 53 G CA -0.174 44.897 45.100 -0.048 0.000 0.669 53 G HN 0.533 nan 8.290 nan 0.000 0.519 54 A N 0.121 122.926 122.820 -0.025 0.000 2.540 54 A HA 0.533 4.911 4.320 0.097 0.000 0.239 54 A C 1.434 179.015 177.584 -0.004 0.000 1.061 54 A CA 1.514 53.547 52.037 -0.006 0.000 0.758 54 A CB 0.326 19.328 19.000 0.004 0.000 0.991 54 A HN 0.668 nan 8.150 nan 0.000 0.502 55 K N 0.982 121.382 120.400 -0.001 0.000 2.097 55 K HA -0.058 4.320 4.320 0.097 0.000 0.205 55 K C 0.535 177.137 176.600 0.003 0.000 1.050 55 K CA 1.551 57.839 56.287 0.000 0.000 0.938 55 K CB -0.097 32.403 32.500 0.000 0.000 0.718 55 K HN 0.956 nan 8.250 nan 0.000 0.442 56 S N -1.528 114.175 115.700 0.005 0.000 2.588 56 S HA 0.470 4.998 4.470 0.097 0.000 0.269 56 S C -1.173 173.432 174.600 0.008 0.000 1.157 56 S CA -1.145 57.059 58.200 0.007 0.000 0.824 56 S CB 2.282 65.485 63.200 0.005 0.000 1.126 56 S HN -0.144 nan 8.310 nan 0.000 0.464 57 V N 1.615 121.537 119.914 0.012 0.000 2.447 57 V HA 0.521 4.700 4.120 0.097 0.000 0.292 57 V C -0.838 175.261 176.094 0.009 0.000 1.021 57 V CA -0.613 61.692 62.300 0.009 0.000 0.850 57 V CB 1.483 33.318 31.823 0.019 0.000 1.005 57 V HN 0.829 nan 8.190 nan 0.000 0.426 58 V N 6.701 126.612 119.914 -0.005 0.000 2.350 58 V HA 0.471 4.649 4.120 0.097 0.000 0.276 58 V C -0.084 175.994 176.094 -0.026 0.000 1.028 58 V CA -0.379 61.916 62.300 -0.009 0.000 0.860 58 V CB 1.422 33.234 31.823 -0.018 0.000 0.990 58 V HN 0.641 nan 8.190 nan 0.000 0.453 59 L N 6.693 127.907 121.223 -0.015 0.000 2.309 59 L HA 0.741 5.139 4.340 0.097 0.000 0.282 59 L C -0.076 176.756 176.870 -0.064 0.000 1.036 59 L CA -0.352 54.450 54.840 -0.064 0.000 0.806 59 L CB 1.453 43.501 42.059 -0.019 0.000 1.220 59 L HN 0.704 nan 8.230 nan 0.000 0.429 60 M N 1.674 121.204 119.600 -0.118 0.000 2.386 60 M HA 0.797 5.336 4.480 0.097 0.000 0.293 60 M C -0.983 175.260 176.300 -0.095 0.000 1.120 60 M CA -0.337 54.923 55.300 -0.066 0.000 0.909 60 M CB 2.346 34.929 32.600 -0.030 0.000 1.661 60 M HN 0.465 nan 8.290 nan 0.000 0.452 61 S N 0.459 116.141 115.700 -0.030 0.000 2.625 61 S HA 0.599 5.127 4.470 0.097 0.000 0.271 61 S C -1.408 173.236 174.600 0.074 0.000 1.161 61 S CA -0.761 57.434 58.200 -0.007 0.000 0.820 61 S CB 1.467 64.612 63.200 -0.092 0.000 1.137 61 S HN 1.020 nan 8.310 nan 0.000 0.470 62 H N 1.288 120.372 119.070 0.023 0.000 2.499 62 H HA 0.817 5.432 4.556 0.099 0.000 0.352 62 H C -1.142 174.201 175.328 0.025 0.000 1.237 62 H CA -0.809 55.243 56.048 0.007 0.000 1.343 62 H CB 1.043 30.816 29.762 0.019 0.000 1.578 62 H HN 0.458 nan 8.280 nan 0.000 0.577 63 L N 0.847 122.057 121.223 -0.023 0.000 2.482 63 L HA 0.453 4.851 4.340 0.097 0.000 0.269 63 L C 0.499 177.377 176.870 0.013 0.000 0.967 63 L CA 1.022 55.846 54.840 -0.026 0.000 0.851 63 L CB 1.305 43.399 42.059 0.058 0.000 1.242 63 L HN 1.248 nan 8.230 nan 0.000 0.404 64 G N 4.373 113.188 108.800 0.025 0.000 2.575 64 G HA2 -0.265 3.753 3.960 0.097 0.000 0.267 64 G HA3 -0.265 3.753 3.960 0.097 0.000 0.267 64 G C -0.105 174.691 174.900 -0.174 0.000 1.264 64 G CA 0.195 45.221 45.100 -0.124 0.000 0.935 64 G HN 0.748 nan 8.290 nan 0.000 0.568 65 R N 1.008 121.273 120.500 -0.392 0.000 2.651 65 R HA 0.319 4.718 4.340 0.097 0.000 0.282 65 R C -1.689 174.440 176.300 -0.284 0.000 1.565 65 R CA -0.985 54.974 56.100 -0.234 0.000 1.661 65 R CB 1.671 31.904 30.300 -0.112 0.000 1.189 65 R HN 0.417 nan 8.270 nan 0.000 0.621 66 P HA -0.038 nan 4.420 nan 0.000 0.241 66 P C -0.312 176.997 177.300 0.014 0.000 1.191 66 P CA 0.592 63.667 63.100 -0.041 0.000 0.771 66 P CB 0.255 32.087 31.700 0.219 0.000 0.929 67 D N -0.621 119.763 120.400 -0.026 0.000 2.800 67 D HA -0.129 4.570 4.640 0.097 0.000 0.232 67 D C 0.944 177.223 176.300 -0.035 0.000 1.137 67 D CA 1.385 55.362 54.000 -0.039 0.000 0.718 67 D CB -1.716 39.065 40.800 -0.032 0.000 1.084 67 D HN 0.369 nan 8.370 nan 0.000 0.432 68 G N -1.913 106.877 108.800 -0.016 0.000 2.136 68 G HA2 -0.171 3.847 3.960 0.097 0.000 0.242 68 G HA3 -0.171 3.847 3.960 0.097 0.000 0.242 68 G C 0.222 175.095 174.900 -0.045 0.000 0.989 68 G CA 0.184 45.264 45.100 -0.034 0.000 0.682 68 G HN 0.969 nan 8.290 nan 0.000 0.522 69 V N 0.640 120.531 119.914 -0.039 0.000 2.604 69 V HA 0.556 4.734 4.120 0.097 0.000 0.305 69 V C -2.130 173.810 176.094 -0.256 0.000 1.043 69 V CA -2.037 60.196 62.300 -0.111 0.000 0.888 69 V CB 2.287 34.058 31.823 -0.088 0.000 0.995 69 V HN 0.061 nan 8.190 nan 0.000 0.429 70 P HA 0.310 nan 4.420 nan 0.000 0.271 70 P C -0.384 176.401 177.300 -0.859 0.000 1.233 70 P CA 0.292 62.881 63.100 -0.851 0.000 0.764 70 P CB 0.199 31.644 31.700 -0.424 0.000 0.825 71 M N 5.821 124.573 119.600 -1.414 0.000 3.124 71 M HA 0.200 4.738 4.480 0.097 0.000 0.298 71 M C -1.715 174.422 176.300 -0.272 0.000 1.403 71 M CA -1.457 53.526 55.300 -0.528 0.000 0.651 71 M CB 1.829 34.380 32.600 -0.080 0.000 1.412 71 M HN 0.168 nan 8.290 nan 0.000 0.477 72 P HA -0.147 nan 4.420 nan 0.000 0.220 72 P C 0.389 177.756 177.300 0.111 0.000 1.148 72 P CA 1.374 64.579 63.100 0.174 0.000 0.803 72 P CB 0.193 31.983 31.700 0.150 0.000 0.782 73 D N 0.000 120.405 120.400 0.008 0.000 2.219 73 D HA -0.093 4.606 4.640 0.097 0.000 0.205 73 D C 1.825 178.092 176.300 -0.055 0.000 0.970 73 D CA 1.162 55.152 54.000 -0.017 0.000 0.851 73 D CB -0.017 40.758 40.800 -0.041 0.000 0.943 73 D HN 0.345 nan 8.370 nan 0.000 0.488 74 K N -1.067 119.272 120.400 -0.101 0.000 2.367 74 K HA 0.076 4.454 4.320 0.097 0.000 0.198 74 K C 0.227 176.598 176.600 -0.382 0.000 1.132 74 K CA 0.216 56.303 56.287 -0.333 0.000 0.941 74 K CB 0.868 33.023 32.500 -0.574 0.000 1.052 74 K HN 0.085 nan 8.250 nan 0.000 0.507 75 Y N 0.578 121.020 120.300 0.236 0.000 2.666 75 Y HA 0.270 4.876 4.550 0.094 0.000 0.264 75 Y C -0.024 176.069 175.900 0.321 0.000 1.054 75 Y CA -0.745 57.523 58.100 0.280 0.000 1.121 75 Y CB 0.951 39.621 38.460 0.350 0.000 1.190 75 Y HN -0.170 nan 8.280 nan 0.000 0.587 76 S N 0.383 116.302 115.700 0.367 0.000 2.565 76 S HA 0.242 4.770 4.470 0.097 0.000 0.276 76 S C 1.009 175.683 174.600 0.123 0.000 1.326 76 S CA -0.324 58.050 58.200 0.289 0.000 1.045 76 S CB 0.614 63.960 63.200 0.243 0.000 0.918 76 S HN 0.597 nan 8.310 nan 0.000 0.505 77 L N 3.873 125.172 121.223 0.127 0.000 2.599 77 L HA 0.116 4.514 4.340 0.097 0.000 0.230 77 L C 2.316 178.985 176.870 -0.335 0.000 1.141 77 L CA 0.327 55.191 54.840 0.040 0.000 0.877 77 L CB -0.315 41.882 42.059 0.230 0.000 1.009 77 L HN 0.815 nan 8.230 nan 0.000 0.447 78 E N 1.176 120.932 120.200 -0.741 0.000 2.097 78 E HA -0.234 4.174 4.350 0.097 0.000 0.196 78 E C -0.676 175.593 176.600 -0.552 0.000 1.000 78 E CA 1.474 57.127 56.400 -1.246 0.000 0.804 78 E CB -0.387 28.816 29.700 -0.828 0.000 0.740 78 E HN 0.333 nan 8.360 nan 0.000 0.454 79 P HA -0.112 nan 4.420 nan 0.000 0.220 79 P C 1.266 178.465 177.300 -0.169 0.000 1.148 79 P CA 0.764 63.754 63.100 -0.183 0.000 0.803 79 P CB 0.114 31.744 31.700 -0.115 0.000 0.782 80 V N 0.071 119.881 119.914 -0.173 0.000 2.515 80 V HA -0.201 3.978 4.120 0.097 0.000 0.250 80 V C 2.438 178.441 176.094 -0.153 0.000 1.058 80 V CA 2.029 64.226 62.300 -0.171 0.000 1.064 80 V CB -1.578 30.171 31.823 -0.123 0.000 0.675 80 V HN 0.104 nan 8.190 nan 0.000 0.461 81 A N -0.000 122.744 122.820 -0.126 0.000 1.902 81 A HA -0.146 4.232 4.320 0.097 0.000 0.217 81 A C 2.376 179.927 177.584 -0.055 0.000 1.181 81 A CA 1.985 54.000 52.037 -0.037 0.000 0.623 81 A CB -0.627 18.375 19.000 0.002 0.000 0.818 81 A HN 0.341 nan 8.150 nan 0.000 0.443 82 V N 0.181 120.038 119.914 -0.095 0.000 2.332 82 V HA -0.260 3.919 4.120 0.097 0.000 0.248 82 V C 2.597 178.650 176.094 -0.069 0.000 1.055 82 V CA 2.452 64.709 62.300 -0.071 0.000 1.038 82 V CB -0.787 30.986 31.823 -0.083 0.000 0.651 82 V HN 0.727 nan 8.190 nan 0.000 0.450 83 E N 0.385 120.527 120.200 -0.097 0.000 2.106 83 E HA -0.207 4.201 4.350 0.097 0.000 0.192 83 E C 1.902 178.440 176.600 -0.103 0.000 0.984 83 E CA 1.102 57.440 56.400 -0.103 0.000 0.806 83 E CB -0.432 29.187 29.700 -0.136 0.000 0.750 83 E HN 0.418 nan 8.360 nan 0.000 0.458 84 L N 0.958 122.111 121.223 -0.117 0.000 2.083 84 L HA -0.131 4.267 4.340 0.097 0.000 0.209 84 L C 1.825 178.676 176.870 -0.030 0.000 1.083 84 L CA 1.867 56.652 54.840 -0.090 0.000 0.752 84 L CB -0.439 41.583 42.059 -0.062 0.000 0.899 84 L HN 0.028 nan 8.230 nan 0.000 0.433 85 K N -0.782 119.607 120.400 -0.019 0.000 2.020 85 K HA -0.177 4.201 4.320 0.097 0.000 0.212 85 K C 2.042 178.637 176.600 -0.008 0.000 1.050 85 K CA 1.929 58.214 56.287 -0.003 0.000 0.929 85 K CB -0.419 32.079 32.500 -0.002 0.000 0.714 85 K HN 0.356 nan 8.250 nan 0.000 0.443 86 S N 1.401 117.089 115.700 -0.020 0.000 2.382 86 S HA -0.086 4.443 4.470 0.097 0.000 0.228 86 S C 1.965 176.556 174.600 -0.016 0.000 1.027 86 S CA 1.065 59.254 58.200 -0.019 0.000 0.991 86 S CB -0.178 63.006 63.200 -0.027 0.000 0.823 86 S HN 0.200 nan 8.310 nan 0.000 0.469 87 L N 0.395 121.604 121.223 -0.023 0.000 2.179 87 L HA 0.097 4.495 4.340 0.097 0.000 0.208 87 L C 2.139 179.011 176.870 0.004 0.000 1.096 87 L CA 0.720 55.550 54.840 -0.016 0.000 0.779 87 L CB -0.261 41.778 42.059 -0.033 0.000 0.922 87 L HN 0.274 nan 8.230 nan 0.000 0.443 88 L N -0.703 120.526 121.223 0.010 0.000 2.202 88 L HA 0.086 4.484 4.340 0.097 0.000 0.205 88 L C 1.489 178.372 176.870 0.023 0.000 1.083 88 L CA 0.854 55.710 54.840 0.027 0.000 0.790 88 L CB -0.273 41.808 42.059 0.036 0.000 0.942 88 L HN 0.476 nan 8.230 nan 0.000 0.452 89 G N 0.530 109.339 108.800 0.014 0.000 2.143 89 G HA2 -0.218 3.800 3.960 0.097 0.000 0.248 89 G HA3 -0.218 3.800 3.960 0.097 0.000 0.248 89 G C 0.010 174.919 174.900 0.015 0.000 0.991 89 G CA 0.114 45.221 45.100 0.013 0.000 0.689 89 G HN 0.219 nan 8.290 nan 0.000 0.522 90 K N -0.066 120.346 120.400 0.020 0.000 2.477 90 K HA 0.502 4.880 4.320 0.097 0.000 0.255 90 K C -0.823 175.792 176.600 0.024 0.000 0.952 90 K CA -0.956 55.344 56.287 0.022 0.000 0.826 90 K CB 1.618 34.135 32.500 0.028 0.000 1.331 90 K HN 0.061 nan 8.250 nan 0.000 0.437 91 D N 0.459 120.874 120.400 0.025 0.000 2.344 91 D HA 0.291 4.989 4.640 0.097 0.000 0.244 91 D C -0.832 175.493 176.300 0.042 0.000 1.134 91 D CA -0.108 53.910 54.000 0.029 0.000 0.930 91 D CB 1.182 41.998 40.800 0.027 0.000 1.175 91 D HN 0.103 nan 8.370 nan 0.000 0.437 92 V N 2.300 122.246 119.914 0.053 0.000 2.686 92 V HA 0.473 4.652 4.120 0.097 0.000 0.306 92 V C -1.623 174.529 176.094 0.097 0.000 1.065 92 V CA -0.887 61.459 62.300 0.077 0.000 0.894 92 V CB 1.737 33.615 31.823 0.091 0.000 1.004 92 V HN 0.380 nan 8.190 nan 0.000 0.424 93 L N 7.033 128.316 121.223 0.100 0.000 2.276 93 L HA 0.586 4.985 4.340 0.097 0.000 0.286 93 L C -0.835 176.135 176.870 0.168 0.000 1.061 93 L CA 0.090 54.997 54.840 0.112 0.000 0.807 93 L CB 1.052 43.150 42.059 0.065 0.000 1.177 93 L HN 0.700 nan 8.230 nan 0.000 0.429 94 F N 5.773 125.744 119.950 0.035 0.000 2.410 94 F HA 0.555 5.114 4.527 0.053 0.000 0.349 94 F C -0.825 175.000 175.800 0.042 0.000 1.117 94 F CA -0.642 57.383 58.000 0.041 0.000 1.104 94 F CB 0.798 39.824 39.000 0.043 0.000 1.122 94 F HN 0.335 nan 8.300 nan 0.000 0.483 95 L N 6.453 127.265 121.223 -0.685 0.000 2.322 95 L HA 0.364 4.762 4.340 0.097 0.000 0.279 95 L C 0.582 176.969 176.870 -0.806 0.000 1.036 95 L CA -0.837 53.690 54.840 -0.523 0.000 0.807 95 L CB 1.958 43.849 42.059 -0.280 0.000 1.226 95 L HN 0.668 nan 8.230 nan 0.000 0.433 96 K N -0.491 119.705 120.400 -0.341 0.000 2.458 96 K HA 0.196 4.574 4.320 0.097 0.000 0.194 96 K C -0.212 176.377 176.600 -0.018 0.000 1.024 96 K CA 0.031 56.236 56.287 -0.136 0.000 1.108 96 K CB 0.206 32.736 32.500 0.050 0.000 0.846 96 K HN 0.438 nan 8.250 nan 0.000 0.518 97 D N -0.574 119.789 120.400 -0.062 0.000 2.752 97 D HA 0.210 4.909 4.640 0.097 0.000 0.313 97 D C -0.321 175.979 176.300 0.000 0.000 1.225 97 D CA -0.669 53.371 54.000 0.067 0.000 0.976 97 D CB 1.810 42.681 40.800 0.119 0.000 1.443 97 D HN 0.103 nan 8.370 nan 0.000 0.515 98 C N -0.395 118.946 119.300 0.067 0.000 3.724 98 C HA 0.656 5.174 4.460 0.097 0.000 0.327 98 C C 0.314 175.231 174.990 -0.121 0.000 1.490 98 C CA -0.010 58.990 59.018 -0.029 0.000 1.825 98 C CB -0.809 26.940 27.740 0.016 0.000 2.613 98 C HN 0.371 nan 8.230 nan 0.000 0.692 99 V N -2.249 117.607 119.914 -0.097 0.000 3.202 99 V HA 1.016 5.195 4.120 0.097 0.000 0.306 99 V C 0.030 176.091 176.094 -0.055 0.000 1.283 99 V CA 0.045 62.250 62.300 -0.158 0.000 1.065 99 V CB 0.659 32.307 31.823 -0.292 0.000 1.079 99 V HN 1.916 nan 8.190 nan 0.000 0.448 100 G N 0.749 109.516 108.800 -0.055 0.000 2.661 100 G HA2 0.045 4.063 3.960 0.097 0.000 0.685 100 G HA3 0.045 4.063 3.960 0.097 0.000 0.685 100 G C -2.000 172.889 174.900 -0.018 0.000 1.298 100 G CA -0.018 45.075 45.100 -0.012 0.000 0.855 100 G HN 0.880 nan 8.290 nan 0.000 0.560 101 P HA -0.031 nan 4.420 nan 0.000 0.217 101 P C 1.313 178.607 177.300 -0.010 0.000 1.150 101 P CA 1.729 64.823 63.100 -0.009 0.000 0.832 101 P CB 0.163 31.863 31.700 -0.001 0.000 0.787 102 E N -0.146 120.051 120.200 -0.004 0.000 2.051 102 E HA -0.108 4.301 4.350 0.097 0.000 0.192 102 E C 2.172 178.760 176.600 -0.019 0.000 0.991 102 E CA 1.087 57.483 56.400 -0.007 0.000 0.799 102 E CB -0.825 28.876 29.700 0.000 0.000 0.748 102 E HN -0.021 nan 8.360 nan 0.000 0.449 103 V N 1.082 120.979 119.914 -0.027 0.000 2.343 103 V HA -0.259 3.919 4.120 0.097 0.000 0.247 103 V C 1.998 178.066 176.094 -0.045 0.000 1.051 103 V CA 1.896 64.169 62.300 -0.044 0.000 1.036 103 V CB -0.435 31.353 31.823 -0.058 0.000 0.654 103 V HN 0.261 nan 8.190 nan 0.000 0.451 104 E N -0.118 120.056 120.200 -0.043 0.000 2.118 104 E HA -0.299 4.110 4.350 0.097 0.000 0.195 104 E C 2.272 178.855 176.600 -0.029 0.000 0.992 104 E CA 1.556 57.931 56.400 -0.041 0.000 0.804 104 E CB -0.136 29.540 29.700 -0.040 0.000 0.741 104 E HN 0.529 nan 8.360 nan 0.000 0.458 105 K N 0.505 120.892 120.400 -0.022 0.000 2.062 105 K HA -0.076 4.302 4.320 0.097 0.000 0.205 105 K C 2.070 178.661 176.600 -0.015 0.000 1.051 105 K CA 1.014 57.292 56.287 -0.016 0.000 0.941 105 K CB -0.045 32.449 32.500 -0.011 0.000 0.719 105 K HN 0.067 nan 8.250 nan 0.000 0.440 106 A N 0.241 123.050 122.820 -0.019 0.000 1.972 106 A HA -0.136 4.243 4.320 0.097 0.000 0.219 106 A C 2.046 179.619 177.584 -0.017 0.000 1.169 106 A CA 1.500 53.527 52.037 -0.017 0.000 0.635 106 A CB -0.539 18.447 19.000 -0.024 0.000 0.810 106 A HN 0.541 nan 8.150 nan 0.000 0.446 107 C N -1.591 117.695 119.300 -0.023 0.000 2.799 107 C HA 0.478 4.996 4.460 0.097 0.000 0.267 107 C C 2.934 177.914 174.990 -0.017 0.000 1.257 107 C CA -0.236 58.769 59.018 -0.021 0.000 1.702 107 C CB -0.829 26.892 27.740 -0.031 0.000 1.934 107 C HN 0.702 nan 8.230 nan 0.000 0.594 108 A N 1.170 123.980 122.820 -0.017 0.000 1.898 108 A HA -0.097 4.282 4.320 0.097 0.000 0.216 108 A C 1.178 178.757 177.584 -0.010 0.000 1.181 108 A CA 1.815 53.844 52.037 -0.015 0.000 0.620 108 A CB -0.266 18.726 19.000 -0.014 0.000 0.819 108 A HN 0.560 nan 8.150 nan 0.000 0.442 109 N N -0.472 118.223 118.700 -0.007 0.000 2.673 109 N HA 0.325 5.124 4.740 0.097 0.000 0.265 109 N C -3.145 172.364 175.510 -0.003 0.000 1.709 109 N CA -1.060 51.988 53.050 -0.005 0.000 0.792 109 N CB 0.626 39.110 38.487 -0.004 0.000 1.286 109 N HN 0.086 nan 8.380 nan 0.000 0.506 110 P HA 0.359 nan 4.420 nan 0.000 0.276 110 P C -0.488 176.814 177.300 0.002 0.000 1.244 110 P CA -0.580 62.520 63.100 0.001 0.000 0.801 110 P CB 0.679 32.380 31.700 0.001 0.000 1.006 111 A N 1.557 124.379 122.820 0.004 0.000 2.520 111 A HA 0.400 4.779 4.320 0.097 0.000 0.235 111 A C 0.632 178.219 177.584 0.005 0.000 1.065 111 A CA 0.085 52.125 52.037 0.005 0.000 0.764 111 A CB -0.723 18.281 19.000 0.006 0.000 1.002 111 A HN 0.683 nan 8.150 nan 0.000 0.502 112 A N 1.301 124.123 122.820 0.003 0.000 2.566 112 A HA 0.459 4.837 4.320 0.097 0.000 0.245 112 A C 1.661 179.248 177.584 0.004 0.000 1.056 112 A CA 0.920 52.958 52.037 0.002 0.000 0.757 112 A CB -0.948 18.052 19.000 -0.000 0.000 0.979 112 A HN 2.807 nan 8.150 nan 0.000 0.508 113 G N 2.113 110.916 108.800 0.004 0.000 2.143 113 G HA2 -0.202 3.816 3.960 0.097 0.000 0.249 113 G HA3 -0.202 3.816 3.960 0.097 0.000 0.249 113 G C 0.409 175.317 174.900 0.014 0.000 0.981 113 G CA 0.318 45.423 45.100 0.007 0.000 0.665 113 G HN 1.223 nan 8.290 nan 0.000 0.528 114 S N -0.329 115.379 115.700 0.014 0.000 2.533 114 S HA 0.454 4.982 4.470 0.097 0.000 0.282 114 S C 0.549 175.164 174.600 0.025 0.000 1.304 114 S CA -0.072 58.139 58.200 0.019 0.000 1.063 114 S CB 1.870 65.079 63.200 0.015 0.000 0.881 114 S HN 0.677 nan 8.310 nan 0.000 0.493 115 V N 5.577 125.512 119.914 0.035 0.000 2.398 115 V HA 0.505 4.684 4.120 0.097 0.000 0.286 115 V C -0.118 176.010 176.094 0.056 0.000 1.026 115 V CA -0.488 61.840 62.300 0.048 0.000 0.868 115 V CB 1.043 32.901 31.823 0.060 0.000 0.982 115 V HN 0.735 nan 8.190 nan 0.000 0.443 116 I N 5.525 126.128 120.570 0.054 0.000 2.498 116 I HA 0.451 4.679 4.170 0.097 0.000 0.290 116 I C -1.149 175.011 176.117 0.071 0.000 1.032 116 I CA -0.758 60.573 61.300 0.051 0.000 1.073 116 I CB 2.151 40.160 38.000 0.015 0.000 1.251 116 I HN 0.398 nan 8.210 nan 0.000 0.426 117 L N 7.508 128.801 121.223 0.115 0.000 2.305 117 L HA 0.562 4.960 4.340 0.097 0.000 0.284 117 L C -0.727 176.170 176.870 0.044 0.000 1.013 117 L CA -0.203 54.737 54.840 0.168 0.000 0.819 117 L CB 1.206 43.474 42.059 0.348 0.000 1.227 117 L HN 0.429 nan 8.230 nan 0.000 0.417 118 L N 2.515 123.731 121.223 -0.012 0.000 2.453 118 L HA 0.386 4.785 4.340 0.097 0.000 0.261 118 L C 0.507 177.323 176.870 -0.089 0.000 1.179 118 L CA -0.651 54.117 54.840 -0.120 0.000 0.813 118 L CB 0.582 42.599 42.059 -0.070 0.000 1.110 118 L HN 0.600 nan 8.230 nan 0.000 0.466 119 E N 1.549 121.632 120.200 -0.194 0.000 2.392 119 E HA -0.041 4.367 4.350 0.097 0.000 0.259 119 E C -0.021 176.529 176.600 -0.082 0.000 1.108 119 E CA -0.326 56.043 56.400 -0.051 0.000 0.916 119 E CB 0.397 30.082 29.700 -0.024 0.000 0.989 119 E HN 0.405 nan 8.360 nan 0.000 0.432 120 N N 2.803 121.339 118.700 -0.274 0.000 2.142 120 N HA -0.155 4.644 4.740 0.097 0.000 0.282 120 N C 0.631 175.988 175.510 -0.254 0.000 1.342 120 N CA 0.478 53.265 53.050 -0.438 0.000 0.831 120 N CB 0.162 37.975 38.487 -1.122 0.000 1.083 120 N HN 0.565 nan 8.380 nan 0.000 0.492 121 L N 3.760 124.989 121.223 0.009 0.000 2.191 121 L HA -0.116 4.283 4.340 0.097 0.000 0.212 121 L C 2.022 179.011 176.870 0.198 0.000 1.103 121 L CA 1.095 56.056 54.840 0.202 0.000 0.769 121 L CB -0.126 42.071 42.059 0.231 0.000 0.908 121 L HN 0.497 nan 8.230 nan 0.000 0.438 122 R N -0.956 119.598 120.500 0.091 0.000 2.313 122 R HA -0.008 4.391 4.340 0.097 0.000 0.199 122 R C 1.420 177.853 176.300 0.222 0.000 0.958 122 R CA 0.097 56.248 56.100 0.086 0.000 1.047 122 R CB -0.001 30.326 30.300 0.044 0.000 0.955 122 R HN 0.193 nan 8.270 nan 0.000 0.481 123 F N 0.196 120.166 119.950 0.033 0.000 2.546 123 F HA -0.021 4.572 4.527 0.111 0.000 0.298 123 F C 0.877 176.504 175.800 -0.289 0.000 1.120 123 F CA 0.365 58.310 58.000 -0.091 0.000 1.456 123 F CB -0.386 38.560 39.000 -0.090 0.000 1.088 123 F HN 0.006 nan 8.300 nan 0.000 0.572 124 H N -1.004 118.133 119.070 0.113 0.000 2.481 124 H HA 0.178 4.790 4.556 0.094 0.000 0.333 124 H C 1.093 176.282 175.328 -0.232 0.000 1.066 124 H CA -0.332 55.664 56.048 -0.086 0.000 1.209 124 H CB 2.753 32.400 29.762 -0.192 0.000 1.445 124 H HN -0.180 nan 8.280 nan 0.000 0.488 125 V N 3.687 123.538 119.914 -0.105 0.000 2.568 125 V HA -0.241 3.937 4.120 0.097 0.000 0.253 125 V C 1.254 177.192 176.094 -0.259 0.000 1.072 125 V CA 1.963 64.170 62.300 -0.154 0.000 1.084 125 V CB -0.190 31.569 31.823 -0.107 0.000 0.676 125 V HN 0.649 nan 8.190 nan 0.000 0.469 126 E N -0.033 119.926 120.200 -0.402 0.000 2.338 126 E HA -0.185 4.224 4.350 0.097 0.000 0.197 126 E C 1.886 178.119 176.600 -0.613 0.000 1.007 126 E CA 1.078 57.160 56.400 -0.528 0.000 0.849 126 E CB -0.123 29.179 29.700 -0.664 0.000 0.774 126 E HN 0.813 nan 8.360 nan 0.000 0.506 127 E N 1.442 121.242 120.200 -0.665 0.000 2.008 127 E HA -0.183 4.226 4.350 0.097 0.000 0.191 127 E C 1.492 177.900 176.600 -0.319 0.000 0.986 127 E CA 1.598 57.811 56.400 -0.312 0.000 0.807 127 E CB -0.062 29.564 29.700 -0.123 0.000 0.766 127 E HN 0.295 nan 8.360 nan 0.000 0.450 128 E N -0.891 119.026 120.200 -0.473 0.000 2.150 128 E HA 0.005 4.413 4.350 0.097 0.000 0.193 128 E C 1.145 177.512 176.600 -0.388 0.000 0.985 128 E CA 0.695 56.682 56.400 -0.688 0.000 0.814 128 E CB -0.115 29.256 29.700 -0.548 0.000 0.752 128 E HN 0.512 nan 8.360 nan 0.000 0.466 129 G N 1.543 110.183 108.800 -0.266 0.000 2.141 129 G HA2 -0.293 3.725 3.960 0.097 0.000 0.231 129 G HA3 -0.293 3.725 3.960 0.097 0.000 0.231 129 G C 0.028 174.848 174.900 -0.134 0.000 0.984 129 G CA 0.575 45.575 45.100 -0.168 0.000 0.660 129 G HN 0.330 nan 8.290 nan 0.000 0.525 130 K N -1.575 118.736 120.400 -0.149 0.000 2.642 130 K HA 0.720 5.098 4.320 0.097 0.000 0.290 130 K C -0.243 176.291 176.600 -0.110 0.000 1.006 130 K CA -0.468 55.754 56.287 -0.109 0.000 0.869 130 K CB 1.277 33.725 32.500 -0.088 0.000 1.499 130 K HN 1.438 nan 8.250 nan 0.000 0.403 143 P HA -0.152 nan 4.420 nan 0.000 0.216 143 P C 1.563 178.862 177.300 -0.002 0.000 1.150 143 P CA 2.270 65.364 63.100 -0.010 0.000 0.843 143 P CB 0.065 31.759 31.700 -0.009 0.000 0.787 144 A N 0.164 122.983 122.820 -0.001 0.000 1.902 144 A HA -0.217 4.161 4.320 0.097 0.000 0.217 144 A C 2.076 179.668 177.584 0.015 0.000 1.181 144 A CA 1.703 53.743 52.037 0.005 0.000 0.623 144 A CB -0.890 18.112 19.000 0.004 0.000 0.818 144 A HN 0.182 nan 8.150 nan 0.000 0.443 145 K N -0.579 119.830 120.400 0.014 0.000 2.155 145 K HA 0.057 4.435 4.320 0.097 0.000 0.203 145 K C 1.753 178.380 176.600 0.046 0.000 1.052 145 K CA 1.126 57.430 56.287 0.028 0.000 0.948 145 K CB -0.298 32.212 32.500 0.017 0.000 0.728 145 K HN 0.512 nan 8.250 nan 0.000 0.448 146 I N 1.784 122.365 120.570 0.019 0.000 2.226 146 I HA -0.278 3.950 4.170 0.097 0.000 0.245 146 I C 2.815 178.984 176.117 0.085 0.000 1.100 146 I CA 1.238 62.560 61.300 0.036 0.000 1.374 146 I CB -0.258 37.740 38.000 -0.002 0.000 1.057 146 I HN 0.259 nan 8.210 nan 0.000 0.413 147 E N 1.839 122.067 120.200 0.046 0.000 2.085 147 E HA -0.267 4.141 4.350 0.097 0.000 0.194 147 E C 2.190 178.813 176.600 0.039 0.000 0.994 147 E CA 1.800 58.220 56.400 0.033 0.000 0.801 147 E CB -0.034 29.673 29.700 0.013 0.000 0.743 147 E HN 0.468 nan 8.360 nan 0.000 0.453 148 A N 0.571 123.421 122.820 0.050 0.000 1.930 148 A HA -0.134 4.244 4.320 0.097 0.000 0.217 148 A C 2.128 179.746 177.584 0.057 0.000 1.175 148 A CA 1.200 53.262 52.037 0.040 0.000 0.627 148 A CB -0.979 18.046 19.000 0.042 0.000 0.815 148 A HN 0.458 nan 8.150 nan 0.000 0.443 149 F N 0.548 120.460 119.950 -0.063 0.000 2.102 149 F HA -0.194 4.394 4.527 0.102 0.000 0.298 149 F C 2.487 178.238 175.800 -0.082 0.000 1.105 149 F CA 1.986 59.930 58.000 -0.093 0.000 1.239 149 F CB -0.107 38.839 39.000 -0.091 0.000 0.991 149 F HN 0.104 nan 8.300 nan 0.000 0.474 150 R N 0.146 120.673 120.500 0.044 0.000 2.081 150 R HA -0.130 4.268 4.340 0.097 0.000 0.235 150 R C 2.456 178.686 176.300 -0.118 0.000 1.131 150 R CA 1.159 57.221 56.100 -0.063 0.000 0.960 150 R CB -0.838 29.468 30.300 0.010 0.000 0.856 150 R HN 0.401 nan 8.270 nan 0.000 0.436 151 A N 0.356 123.129 122.820 -0.078 0.000 1.908 151 A HA -0.213 4.165 4.320 0.097 0.000 0.218 151 A C 2.206 179.724 177.584 -0.110 0.000 1.181 151 A CA 1.950 53.940 52.037 -0.078 0.000 0.627 151 A CB -0.694 18.278 19.000 -0.047 0.000 0.818 151 A HN 0.310 nan 8.150 nan 0.000 0.445 152 S N -0.479 115.133 115.700 -0.146 0.000 2.356 152 S HA -0.101 4.428 4.470 0.097 0.000 0.223 152 S C 1.947 176.420 174.600 -0.212 0.000 1.032 152 S CA 1.433 59.529 58.200 -0.173 0.000 1.005 152 S CB -0.516 62.564 63.200 -0.201 0.000 0.867 152 S HN 0.488 nan 8.310 nan 0.000 0.449 153 L N 1.034 122.070 121.223 -0.312 0.000 2.079 153 L HA -0.100 4.298 4.340 0.097 0.000 0.210 153 L C 2.602 179.381 176.870 -0.152 0.000 1.081 153 L CA 1.385 56.063 54.840 -0.271 0.000 0.752 153 L CB -0.631 41.230 42.059 -0.331 0.000 0.896 153 L HN 0.307 nan 8.230 nan 0.000 0.433 154 S N -0.636 114.980 115.700 -0.139 0.000 2.447 154 S HA -0.117 4.411 4.470 0.097 0.000 0.233 154 S C 1.808 176.367 174.600 -0.068 0.000 1.006 154 S CA 0.915 59.056 58.200 -0.097 0.000 0.957 154 S CB -0.043 63.097 63.200 -0.101 0.000 0.773 154 S HN 0.253 nan 8.310 nan 0.000 0.507 155 K N 1.440 121.795 120.400 -0.074 0.000 2.366 155 K HA 0.219 4.597 4.320 0.097 0.000 0.198 155 K C 1.373 177.946 176.600 -0.045 0.000 1.044 155 K CA 0.422 56.676 56.287 -0.055 0.000 0.973 155 K CB -0.259 32.207 32.500 -0.058 0.000 0.767 155 K HN 0.337 nan 8.250 nan 0.000 0.475 156 L N -0.889 120.303 121.223 -0.052 0.000 2.478 156 L HA 0.138 4.536 4.340 0.097 0.000 0.223 156 L C 1.058 177.916 176.870 -0.020 0.000 1.140 156 L CA 0.085 54.900 54.840 -0.042 0.000 0.842 156 L CB -0.155 41.870 42.059 -0.056 0.000 0.953 156 L HN 0.109 nan 8.230 nan 0.000 0.452 157 G N -1.657 107.138 108.800 -0.009 0.000 2.694 157 G HA2 0.303 4.321 3.960 0.097 0.000 0.290 157 G HA3 0.303 4.321 3.960 0.097 0.000 0.290 157 G C -0.635 174.270 174.900 0.008 0.000 1.386 157 G CA -0.349 44.755 45.100 0.006 0.000 0.872 157 G HN -0.172 nan 8.290 nan 0.000 0.475 158 D N -1.159 119.248 120.400 0.013 0.000 2.338 158 D HA 0.070 4.768 4.640 0.097 0.000 0.208 158 D C 1.241 177.556 176.300 0.026 0.000 0.997 158 D CA 1.070 55.078 54.000 0.013 0.000 0.880 158 D CB 1.087 41.892 40.800 0.010 0.000 0.980 158 D HN 0.405 nan 8.370 nan 0.000 0.509 159 V N -1.868 118.070 119.914 0.040 0.000 3.040 159 V HA 0.606 4.785 4.120 0.097 0.000 0.312 159 V C -1.314 174.845 176.094 0.109 0.000 1.115 159 V CA -1.142 61.196 62.300 0.063 0.000 0.998 159 V CB 2.334 34.183 31.823 0.044 0.000 1.042 159 V HN 0.006 nan 8.190 nan 0.000 0.433 160 Y N 2.126 122.409 120.300 -0.028 0.000 2.393 160 Y HA 0.834 5.443 4.550 0.098 0.000 0.341 160 Y C -0.924 174.951 175.900 -0.042 0.000 0.988 160 Y CA -0.828 57.250 58.100 -0.036 0.000 1.078 160 Y CB 2.151 40.590 38.460 -0.035 0.000 1.203 160 Y HN 0.690 nan 8.280 nan 0.000 0.453 161 V N 5.985 125.577 119.914 -0.537 0.000 2.540 161 V HA 0.339 4.517 4.120 0.097 0.000 0.302 161 V C -0.921 174.664 176.094 -0.847 0.000 1.035 161 V CA -1.054 60.929 62.300 -0.529 0.000 0.873 161 V CB 1.763 33.398 31.823 -0.314 0.000 0.992 161 V HN 0.794 nan 8.190 nan 0.000 0.428 162 N N 2.701 121.053 118.700 -0.580 0.000 2.511 162 N HA 0.298 5.096 4.740 0.097 0.000 0.249 162 N C -0.429 174.973 175.510 -0.179 0.000 0.971 162 N CA -0.164 52.663 53.050 -0.372 0.000 0.938 162 N CB 1.678 40.085 38.487 -0.133 0.000 1.131 162 N HN 0.677 nan 8.380 nan 0.000 0.505 163 D N 1.815 122.120 120.400 -0.158 0.000 2.462 163 D HA 0.250 4.949 4.640 0.097 0.000 0.221 163 D C -0.033 176.277 176.300 0.017 0.000 1.173 163 D CA -0.057 53.905 54.000 -0.064 0.000 0.831 163 D CB 0.297 41.045 40.800 -0.087 0.000 1.001 163 D HN 0.537 nan 8.370 nan 0.000 0.499 164 A N 0.592 123.419 122.820 0.011 0.000 3.091 164 A HA 0.147 4.526 4.320 0.097 0.000 0.264 164 A C 1.011 178.662 177.584 0.112 0.000 1.673 164 A CA -0.500 51.566 52.037 0.048 0.000 1.362 164 A CB -1.126 17.883 19.000 0.015 0.000 1.137 164 A HN 0.260 nan 8.150 nan 0.000 0.617 165 F N 1.648 121.626 119.950 0.047 0.000 2.095 165 F HA -0.124 4.459 4.527 0.093 0.000 0.298 165 F C 2.049 177.894 175.800 0.076 0.000 1.104 165 F CA 2.292 60.331 58.000 0.065 0.000 1.232 165 F CB -0.438 38.613 39.000 0.085 0.000 0.987 165 F HN 0.410 nan 8.300 nan 0.000 0.475 166 G N -1.611 107.188 108.800 -0.002 0.000 2.501 166 G HA2 -0.190 3.829 3.960 0.097 0.000 0.220 166 G HA3 -0.190 3.829 3.960 0.097 0.000 0.220 166 G C 1.285 176.191 174.900 0.010 0.000 1.114 166 G CA 1.365 46.425 45.100 -0.066 0.000 0.757 166 G HN 0.433 nan 8.290 nan 0.000 0.559 167 T N 0.266 114.849 114.554 0.049 0.000 3.054 167 T HA 0.446 4.855 4.350 0.097 0.000 0.255 167 T C 2.293 176.996 174.700 0.006 0.000 1.035 167 T CA 0.378 62.520 62.100 0.070 0.000 0.941 167 T CB 0.693 69.618 68.868 0.095 0.000 1.026 167 T HN 0.288 nan 8.240 nan 0.000 0.533 168 A N 2.246 125.053 122.820 -0.021 0.000 2.121 168 A HA -0.132 4.246 4.320 0.097 0.000 0.218 168 A C 2.003 179.581 177.584 -0.010 0.000 1.154 168 A CA 1.114 53.124 52.037 -0.045 0.000 0.679 168 A CB -0.645 18.302 19.000 -0.088 0.000 0.795 168 A HN 0.718 nan 8.150 nan 0.000 0.458 169 H N -0.797 118.136 119.070 -0.230 0.000 2.555 169 H HA 0.125 4.738 4.556 0.096 0.000 0.269 169 H C -0.145 175.055 175.328 -0.212 0.000 0.988 169 H CA 0.287 56.219 56.048 -0.194 0.000 1.178 169 H CB -0.292 29.357 29.762 -0.188 0.000 1.373 169 H HN 0.157 nan 8.280 nan 0.000 0.588 170 R N 1.341 121.552 120.500 -0.481 0.000 2.207 170 R HA 0.455 4.853 4.340 0.097 0.000 0.334 170 R C -0.137 175.895 176.300 -0.446 0.000 1.013 170 R CA -0.145 55.531 56.100 -0.707 0.000 0.858 170 R CB 1.024 30.592 30.300 -1.220 0.000 1.094 170 R HN 0.295 nan 8.270 nan 0.000 0.457 171 A N 4.820 127.479 122.820 -0.268 0.000 3.074 171 A HA 0.144 4.522 4.320 0.097 0.000 0.251 171 A C -0.172 177.461 177.584 0.081 0.000 1.695 171 A CA -0.203 51.794 52.037 -0.068 0.000 1.343 171 A CB -0.709 18.274 19.000 -0.027 0.000 1.078 171 A HN 0.702 nan 8.150 nan 0.000 0.644 172 H N -0.731 118.304 119.070 -0.058 0.000 2.508 172 H HA 0.241 4.854 4.556 0.094 0.000 0.344 172 H C 1.125 176.457 175.328 0.008 0.000 1.192 172 H CA -0.682 55.340 56.048 -0.043 0.000 1.290 172 H CB 1.438 31.156 29.762 -0.073 0.000 1.571 172 H HN 0.424 nan 8.280 nan 0.000 0.555 173 S N 0.643 116.443 115.700 0.167 0.000 2.365 173 S HA -0.233 4.295 4.470 0.097 0.000 0.225 173 S C 2.242 176.926 174.600 0.139 0.000 1.039 173 S CA 1.828 60.127 58.200 0.165 0.000 1.033 173 S CB -0.355 63.027 63.200 0.303 0.000 0.887 173 S HN 0.779 nan 8.310 nan 0.000 0.447 174 S N 0.537 116.348 115.700 0.185 0.000 2.474 174 S HA 0.067 4.595 4.470 0.097 0.000 0.235 174 S C 1.594 176.292 174.600 0.163 0.000 0.997 174 S CA 0.715 59.000 58.200 0.143 0.000 0.949 174 S CB -0.234 63.064 63.200 0.163 0.000 0.766 174 S HN 0.276 nan 8.310 nan 0.000 0.517 175 M N 1.060 120.740 119.600 0.133 0.000 2.545 175 M HA 0.263 4.801 4.480 0.097 0.000 0.264 175 M C 1.864 178.214 176.300 0.084 0.000 1.155 175 M CA 0.856 56.232 55.300 0.128 0.000 1.162 175 M CB -0.005 32.625 32.600 0.049 0.000 1.330 175 M HN 0.473 nan 8.290 nan 0.000 0.479 176 V N -4.632 115.297 119.914 0.025 0.000 3.382 176 V HA 0.529 4.707 4.120 0.097 0.000 0.296 176 V C 1.212 177.268 176.094 -0.064 0.000 1.529 176 V CA 0.640 62.931 62.300 -0.016 0.000 1.048 176 V CB -0.123 31.700 31.823 -0.001 0.000 0.878 176 V HN 0.281 nan 8.190 nan 0.000 0.442 177 G N 0.389 109.144 108.800 -0.075 0.000 3.192 177 G HA2 0.335 4.354 3.960 0.097 0.000 0.239 177 G HA3 0.335 4.354 3.960 0.097 0.000 0.239 177 G C 0.277 175.089 174.900 -0.146 0.000 1.084 177 G CA 0.222 45.276 45.100 -0.076 0.000 0.784 177 G HN 0.325 nan 8.290 nan 0.000 0.540 178 V N 2.006 121.749 119.914 -0.284 0.000 2.521 178 V HA 0.169 4.347 4.120 0.097 0.000 0.286 178 V C -0.119 175.797 176.094 -0.297 0.000 1.034 178 V CA -0.558 61.527 62.300 -0.359 0.000 1.045 178 V CB 1.305 32.717 31.823 -0.686 0.000 0.974 178 V HN 0.279 nan 8.190 nan 0.000 0.480 179 N N 6.235 124.823 118.700 -0.187 0.000 2.817 179 N HA 0.447 5.245 4.740 0.097 0.000 0.234 179 N C -1.168 174.282 175.510 -0.100 0.000 1.066 179 N CA -0.109 52.865 53.050 -0.126 0.000 0.926 179 N CB 0.367 38.803 38.487 -0.085 0.000 1.176 179 N HN 0.620 nan 8.380 nan 0.000 0.506 180 L N 2.781 123.945 121.223 -0.098 0.000 2.371 180 L HA 0.510 4.908 4.340 0.097 0.000 0.262 180 L C -1.380 175.474 176.870 -0.026 0.000 1.006 180 L CA -1.915 52.897 54.840 -0.046 0.000 0.818 180 L CB 2.379 44.428 42.059 -0.017 0.000 1.354 180 L HN 0.160 nan 8.230 nan 0.000 0.415 181 P HA -0.098 nan 4.420 nan 0.000 0.216 181 P C -0.467 176.841 177.300 0.013 0.000 1.150 181 P CA 1.232 64.332 63.100 -0.000 0.000 0.837 181 P CB 0.282 31.984 31.700 0.003 0.000 0.786 182 Q N -0.186 119.631 119.800 0.029 0.000 2.341 182 Q HA 0.373 4.771 4.340 0.097 0.000 0.268 182 Q C -0.595 175.459 176.000 0.089 0.000 1.013 182 Q CA -0.422 55.409 55.803 0.046 0.000 0.798 182 Q CB 1.872 30.635 28.738 0.042 0.000 1.253 182 Q HN 0.019 nan 8.270 nan 0.000 0.457 183 K N 1.617 122.080 120.400 0.106 0.000 2.572 183 K HA 0.593 4.971 4.320 0.097 0.000 0.244 183 K C -1.194 175.494 176.600 0.147 0.000 0.965 183 K CA -0.315 56.107 56.287 0.225 0.000 0.943 183 K CB 1.722 34.325 32.500 0.172 0.000 1.154 183 K HN 0.541 nan 8.250 nan 0.000 0.447 184 A N 1.847 124.716 122.820 0.081 0.000 2.324 184 A HA 0.710 5.088 4.320 0.097 0.000 0.330 184 A C 0.211 177.757 177.584 -0.064 0.000 1.165 184 A CA -0.665 51.367 52.037 -0.008 0.000 0.813 184 A CB 1.037 20.005 19.000 -0.054 0.000 1.197 184 A HN 0.709 nan 8.150 nan 0.000 0.484 185 G N 0.914 109.686 108.800 -0.046 0.000 2.378 185 G HA2 0.475 4.494 3.960 0.097 0.000 0.255 185 G HA3 0.475 4.494 3.960 0.097 0.000 0.255 185 G C 0.492 175.302 174.900 -0.151 0.000 1.270 185 G CA 0.367 45.429 45.100 -0.062 0.000 0.876 185 G HN 1.086 nan 8.290 nan 0.000 0.521 186 G N 0.213 108.904 108.800 -0.182 0.000 2.588 186 G HA2 0.401 4.419 3.960 0.097 0.000 0.281 186 G HA3 0.401 4.419 3.960 0.097 0.000 0.281 186 G C 0.509 175.309 174.900 -0.166 0.000 1.236 186 G CA -0.566 44.345 45.100 -0.315 0.000 0.969 186 G HN 0.382 nan 8.290 nan 0.000 0.504 187 F N -0.601 119.295 119.950 -0.090 0.000 2.325 187 F HA 0.045 4.634 4.527 0.102 0.000 0.299 187 F C 2.359 178.134 175.800 -0.042 0.000 1.090 187 F CA 0.096 58.046 58.000 -0.083 0.000 1.392 187 F CB -0.629 38.310 39.000 -0.101 0.000 1.053 187 F HN 0.262 nan 8.300 nan 0.000 0.521 188 L N -0.333 120.974 121.223 0.141 0.000 2.072 188 L HA -0.130 4.269 4.340 0.097 0.000 0.205 188 L C 2.349 179.251 176.870 0.053 0.000 1.079 188 L CA 1.467 56.362 54.840 0.092 0.000 0.752 188 L CB -0.834 41.287 42.059 0.104 0.000 0.906 188 L HN 0.138 nan 8.230 nan 0.000 0.436 189 M N -0.091 119.559 119.600 0.083 0.000 2.082 189 M HA -0.280 4.259 4.480 0.097 0.000 0.258 189 M C 2.337 178.665 176.300 0.047 0.000 1.069 189 M CA 2.122 57.487 55.300 0.109 0.000 1.102 189 M CB -0.454 32.213 32.600 0.112 0.000 1.336 189 M HN 0.271 nan 8.290 nan 0.000 0.404 190 K N -0.371 120.064 120.400 0.058 0.000 2.026 190 K HA -0.243 4.135 4.320 0.097 0.000 0.208 190 K C 2.199 178.807 176.600 0.014 0.000 1.048 190 K CA 1.822 58.140 56.287 0.051 0.000 0.929 190 K CB -0.288 32.268 32.500 0.093 0.000 0.713 190 K HN 0.403 nan 8.250 nan 0.000 0.439 191 K N 0.552 120.959 120.400 0.011 0.000 2.032 191 K HA -0.185 4.193 4.320 0.097 0.000 0.209 191 K C 1.847 178.412 176.600 -0.059 0.000 1.048 191 K CA 1.735 58.015 56.287 -0.011 0.000 0.927 191 K CB 0.028 32.534 32.500 0.011 0.000 0.712 191 K HN 0.173 nan 8.250 nan 0.000 0.441 192 E N 0.783 120.880 120.200 -0.173 0.000 2.047 192 E HA -0.173 4.235 4.350 0.097 0.000 0.191 192 E C 2.240 178.748 176.600 -0.153 0.000 0.987 192 E CA 1.075 57.265 56.400 -0.350 0.000 0.799 192 E CB -0.190 28.778 29.700 -1.221 0.000 0.752 192 E HN 0.372 nan 8.360 nan 0.000 0.449 193 L N 1.395 122.549 121.223 -0.115 0.000 2.083 193 L HA -0.195 4.204 4.340 0.097 0.000 0.209 193 L C 2.123 179.033 176.870 0.066 0.000 1.083 193 L CA 0.856 55.740 54.840 0.074 0.000 0.752 193 L CB -0.454 41.662 42.059 0.096 0.000 0.899 193 L HN 0.066 nan 8.230 nan 0.000 0.433 194 N N -0.673 118.032 118.700 0.009 0.000 2.142 194 N HA -0.230 4.568 4.740 0.097 0.000 0.186 194 N C 1.705 177.164 175.510 -0.084 0.000 1.023 194 N CA 1.218 54.254 53.050 -0.023 0.000 0.852 194 N CB -0.444 38.027 38.487 -0.027 0.000 0.998 194 N HN 0.322 nan 8.380 nan 0.000 0.424 195 Y N 0.463 120.635 120.300 -0.214 0.000 2.114 195 Y HA -0.181 4.427 4.550 0.098 0.000 0.284 195 Y C 1.918 177.599 175.900 -0.366 0.000 1.143 195 Y CA 1.591 59.452 58.100 -0.399 0.000 1.135 195 Y CB -0.533 37.447 38.460 -0.801 0.000 0.980 195 Y HN -0.092 nan 8.280 nan 0.000 0.499 196 F N -0.111 119.785 119.950 -0.090 0.000 2.186 196 F HA -0.138 4.446 4.527 0.096 0.000 0.299 196 F C 2.565 178.298 175.800 -0.112 0.000 1.090 196 F CA 1.211 59.178 58.000 -0.055 0.000 1.307 196 F CB -1.084 37.966 39.000 0.084 0.000 1.019 196 F HN 0.166 nan 8.300 nan 0.000 0.489 197 A N -0.114 122.741 122.820 0.060 0.000 1.908 197 A HA -0.266 4.113 4.320 0.097 0.000 0.218 197 A C 2.255 179.792 177.584 -0.078 0.000 1.181 197 A CA 2.059 54.101 52.037 0.009 0.000 0.627 197 A CB -0.743 18.259 19.000 0.005 0.000 0.818 197 A HN 0.371 nan 8.150 nan 0.000 0.445 198 K N -0.495 119.795 120.400 -0.183 0.000 2.057 198 K HA 0.010 4.389 4.320 0.097 0.000 0.206 198 K C 2.064 178.503 176.600 -0.270 0.000 1.050 198 K CA 1.153 57.302 56.287 -0.230 0.000 0.935 198 K CB -0.311 32.012 32.500 -0.294 0.000 0.715 198 K HN 0.337 nan 8.250 nan 0.000 0.439 199 A N 0.703 123.286 122.820 -0.395 0.000 2.014 199 A HA -0.001 4.378 4.320 0.097 0.000 0.218 199 A C 1.839 179.307 177.584 -0.194 0.000 1.163 199 A CA 0.925 52.747 52.037 -0.359 0.000 0.652 199 A CB -0.239 18.465 19.000 -0.493 0.000 0.808 199 A HN 0.329 nan 8.150 nan 0.000 0.449 200 L N -1.248 119.931 121.223 -0.073 0.000 2.585 200 L HA 0.078 4.477 4.340 0.097 0.000 0.226 200 L C 2.174 179.042 176.870 -0.004 0.000 1.113 200 L CA 0.533 55.383 54.840 0.017 0.000 0.876 200 L CB -0.003 42.145 42.059 0.147 0.000 1.072 200 L HN 0.367 nan 8.230 nan 0.000 0.468 201 E N 1.701 121.875 120.200 -0.043 0.000 2.051 201 E HA -0.140 4.268 4.350 0.097 0.000 0.192 201 E C 0.665 177.244 176.600 -0.035 0.000 0.991 201 E CA 1.427 57.808 56.400 -0.032 0.000 0.799 201 E CB 0.210 29.880 29.700 -0.049 0.000 0.748 201 E HN 0.311 nan 8.360 nan 0.000 0.449 202 S N 0.122 115.781 115.700 -0.068 0.000 2.440 202 S HA 0.449 4.977 4.470 0.097 0.000 0.142 202 S C -2.718 171.814 174.600 -0.113 0.000 1.578 202 S CA -1.469 56.692 58.200 -0.065 0.000 1.260 202 S CB 0.894 64.061 63.200 -0.054 0.000 1.407 202 S HN -0.044 nan 8.310 nan 0.000 0.392 203 P HA 0.200 nan 4.420 nan 0.000 0.267 203 P C -0.020 177.155 177.300 -0.209 0.000 1.200 203 P CA 0.130 63.037 63.100 -0.322 0.000 0.772 203 P CB 0.459 31.802 31.700 -0.595 0.000 0.855 204 E N 2.469 122.538 120.200 -0.218 0.000 2.373 204 E HA 0.169 4.577 4.350 0.097 0.000 0.267 204 E C 0.222 176.781 176.600 -0.067 0.000 1.032 204 E CA 0.286 56.617 56.400 -0.115 0.000 0.889 204 E CB 0.635 30.279 29.700 -0.094 0.000 0.984 204 E HN 0.342 nan 8.360 nan 0.000 0.425 205 R N 2.146 122.642 120.500 -0.007 0.000 2.750 205 R HA 0.412 4.810 4.340 0.097 0.000 0.281 205 R C -2.338 173.986 176.300 0.040 0.000 0.972 205 R CA -1.943 54.185 56.100 0.047 0.000 0.912 205 R CB 1.471 31.804 30.300 0.056 0.000 1.187 205 R HN 0.251 nan 8.270 nan 0.000 0.464 206 P HA 0.006 nan 4.420 nan 0.000 0.268 206 P C -1.106 176.296 177.300 0.169 0.000 1.205 206 P CA -0.080 63.076 63.100 0.093 0.000 0.771 206 P CB 0.357 32.094 31.700 0.061 0.000 0.858 207 F N 4.552 124.505 119.950 0.005 0.000 2.388 207 F HA 0.436 5.021 4.527 0.096 0.000 0.358 207 F C -1.044 174.760 175.800 0.007 0.000 1.122 207 F CA -1.966 56.042 58.000 0.013 0.000 1.056 207 F CB 0.286 39.298 39.000 0.020 0.000 1.155 207 F HN 0.053 nan 8.300 nan 0.000 0.461 208 L N 6.503 127.861 121.223 0.225 0.000 2.282 208 L HA 0.785 5.183 4.340 0.097 0.000 0.288 208 L C -0.784 176.031 176.870 -0.091 0.000 1.033 208 L CA -0.291 54.547 54.840 -0.002 0.000 0.807 208 L CB 0.997 43.067 42.059 0.018 0.000 1.209 208 L HN 0.677 nan 8.230 nan 0.000 0.423 209 A N 6.546 129.241 122.820 -0.209 0.000 2.290 209 A HA 0.719 5.097 4.320 0.097 0.000 0.310 209 A C -0.529 176.979 177.584 -0.126 0.000 1.202 209 A CA -0.486 51.457 52.037 -0.157 0.000 0.837 209 A CB 0.244 19.118 19.000 -0.210 0.000 1.139 209 A HN 0.718 nan 8.150 nan 0.000 0.509 210 I N 3.057 123.582 120.570 -0.076 0.000 2.354 210 I HA 0.282 4.510 4.170 0.097 0.000 0.286 210 I C -0.985 175.138 176.117 0.011 0.000 1.007 210 I CA -0.533 60.666 61.300 -0.168 0.000 1.167 210 I CB 1.501 39.229 38.000 -0.454 0.000 1.320 210 I HN 0.493 nan 8.210 nan 0.000 0.458 211 L N 7.108 128.301 121.223 -0.050 0.000 2.318 211 L HA 0.800 5.198 4.340 0.097 0.000 0.277 211 L C 0.001 176.884 176.870 0.021 0.000 1.008 211 L CA 0.304 55.155 54.840 0.019 0.000 0.846 211 L CB 1.055 43.097 42.059 -0.028 0.000 1.220 211 L HN 0.625 nan 8.230 nan 0.000 0.423 212 G N 1.983 110.854 108.800 0.119 0.000 3.252 212 G HA2 0.768 4.787 3.960 0.097 0.000 0.181 212 G HA3 0.768 4.787 3.960 0.097 0.000 0.181 212 G C 0.017 175.002 174.900 0.143 0.000 1.187 212 G CA -0.278 44.903 45.100 0.136 0.000 0.886 212 G HN 1.227 nan 8.290 nan 0.000 0.615 213 G N -1.576 107.327 108.800 0.172 0.000 2.568 213 G HA2 0.357 4.376 3.960 0.097 0.000 0.222 213 G HA3 0.357 4.376 3.960 0.097 0.000 0.222 213 G C 0.673 175.657 174.900 0.140 0.000 1.321 213 G CA 0.948 46.139 45.100 0.152 0.000 0.893 213 G HN 1.948 nan 8.290 nan 0.000 0.569 214 A N -1.059 121.825 122.820 0.108 0.000 2.456 214 A HA 0.542 4.920 4.320 0.097 0.000 0.237 214 A C 1.009 178.628 177.584 0.058 0.000 1.217 214 A CA 1.008 53.094 52.037 0.082 0.000 0.962 214 A CB 0.305 19.338 19.000 0.055 0.000 1.079 214 A HN 0.485 nan 8.150 nan 0.000 0.536 215 K N 1.135 121.572 120.400 0.060 0.000 2.518 215 K HA 0.317 4.696 4.320 0.097 0.000 0.244 215 K C 0.578 177.204 176.600 0.044 0.000 1.232 215 K CA -0.269 56.044 56.287 0.045 0.000 1.189 215 K CB 0.492 33.022 32.500 0.050 0.000 1.737 215 K HN 0.188 nan 8.250 nan 0.000 0.333 216 V N 0.652 120.591 119.914 0.041 0.000 2.323 216 V HA -0.248 3.930 4.120 0.097 0.000 0.244 216 V C 2.319 178.420 176.094 0.011 0.000 1.041 216 V CA 2.128 64.454 62.300 0.044 0.000 1.025 216 V CB -0.376 31.477 31.823 0.050 0.000 0.656 216 V HN 0.653 nan 8.190 nan 0.000 0.451 217 A N 0.096 122.909 122.820 -0.012 0.000 1.908 217 A HA -0.281 4.098 4.320 0.097 0.000 0.218 217 A C 1.978 179.554 177.584 -0.014 0.000 1.181 217 A CA 2.343 54.361 52.037 -0.031 0.000 0.627 217 A CB -0.606 18.372 19.000 -0.036 0.000 0.818 217 A HN 0.546 nan 8.150 nan 0.000 0.445 218 D N -0.727 119.675 120.400 0.003 0.000 2.120 218 D HA -0.029 4.670 4.640 0.097 0.000 0.202 218 D C 1.978 178.292 176.300 0.023 0.000 0.972 218 D CA 1.277 55.284 54.000 0.012 0.000 0.837 218 D CB -0.195 40.620 40.800 0.025 0.000 0.989 218 D HN 0.477 nan 8.370 nan 0.000 0.469 219 K N 0.180 120.599 120.400 0.033 0.000 2.305 219 K HA 0.139 4.518 4.320 0.097 0.000 0.199 219 K C 2.109 178.739 176.600 0.049 0.000 1.047 219 K CA -0.070 56.240 56.287 0.038 0.000 0.976 219 K CB 0.334 32.859 32.500 0.043 0.000 0.765 219 K HN 0.083 nan 8.250 nan 0.000 0.474 220 I N 1.587 122.192 120.570 0.059 0.000 2.423 220 I HA -0.282 3.946 4.170 0.097 0.000 0.254 220 I C 1.565 177.715 176.117 0.055 0.000 1.151 220 I CA 1.243 62.596 61.300 0.088 0.000 1.421 220 I CB 0.192 38.232 38.000 0.066 0.000 1.079 220 I HN 0.209 nan 8.210 nan 0.000 0.431 221 Q N 0.053 119.868 119.800 0.024 0.000 2.472 221 Q HA 0.018 4.417 4.340 0.097 0.000 0.208 221 Q C 1.888 177.897 176.000 0.015 0.000 0.958 221 Q CA 0.737 56.547 55.803 0.012 0.000 0.932 221 Q CB 0.218 28.956 28.738 -0.000 0.000 1.007 221 Q HN 0.570 nan 8.270 nan 0.000 0.508 222 L N -0.808 120.427 121.223 0.020 0.000 2.529 222 L HA 0.097 4.495 4.340 0.097 0.000 0.223 222 L C 1.971 178.846 176.870 0.009 0.000 1.113 222 L CA 0.102 54.948 54.840 0.009 0.000 0.861 222 L CB -0.134 41.925 42.059 0.002 0.000 1.012 222 L HN 0.106 nan 8.230 nan 0.000 0.461 223 I N 0.637 121.225 120.570 0.029 0.000 2.226 223 I HA -0.290 3.938 4.170 0.097 0.000 0.245 223 I C 2.387 178.517 176.117 0.021 0.000 1.100 223 I CA 1.318 62.636 61.300 0.030 0.000 1.374 223 I CB -0.340 37.713 38.000 0.088 0.000 1.057 223 I HN 0.361 nan 8.210 nan 0.000 0.413 224 N N 1.683 120.400 118.700 0.027 0.000 2.037 224 N HA -0.260 4.539 4.740 0.097 0.000 0.196 224 N C 1.417 176.931 175.510 0.007 0.000 1.034 224 N CA 2.276 55.338 53.050 0.019 0.000 0.861 224 N CB -0.355 38.141 38.487 0.015 0.000 1.039 224 N HN 0.369 nan 8.380 nan 0.000 0.427 225 N N -1.140 117.561 118.700 0.002 0.000 2.300 225 N HA 0.062 4.860 4.740 0.097 0.000 0.179 225 N C 1.638 177.141 175.510 -0.012 0.000 1.016 225 N CA 0.651 53.699 53.050 -0.002 0.000 0.876 225 N CB -0.022 38.464 38.487 -0.001 0.000 0.979 225 N HN 0.277 nan 8.380 nan 0.000 0.432 226 M N 0.504 120.090 119.600 -0.023 0.000 2.202 226 M HA -0.137 4.402 4.480 0.097 0.000 0.262 226 M C 1.561 177.824 176.300 -0.062 0.000 1.063 226 M CA 1.276 56.545 55.300 -0.052 0.000 1.097 226 M CB -0.288 32.273 32.600 -0.066 0.000 1.382 226 M HN 0.182 nan 8.290 nan 0.000 0.413 227 L N -0.211 120.990 121.223 -0.037 0.000 2.456 227 L HA -0.177 4.221 4.340 0.097 0.000 0.224 227 L C 1.211 178.068 176.870 -0.021 0.000 1.148 227 L CA 0.516 55.337 54.840 -0.032 0.000 0.825 227 L CB -0.565 41.488 42.059 -0.010 0.000 0.937 227 L HN 0.286 nan 8.230 nan 0.000 0.450 228 D N -0.427 119.965 120.400 -0.013 0.000 2.339 228 D HA -0.024 4.674 4.640 0.097 0.000 0.217 228 D C 1.738 178.044 176.300 0.010 0.000 1.050 228 D CA 0.503 54.504 54.000 0.001 0.000 0.856 228 D CB 0.480 41.285 40.800 0.008 0.000 0.922 228 D HN 0.237 nan 8.370 nan 0.000 0.518 229 K N 0.217 120.612 120.400 -0.008 0.000 2.436 229 K HA 0.129 4.507 4.320 0.097 0.000 0.198 229 K C 0.924 177.519 176.600 -0.008 0.000 1.174 229 K CA 0.224 56.524 56.287 0.021 0.000 0.951 229 K CB 1.468 33.981 32.500 0.021 0.000 1.040 229 K HN 0.076 nan 8.250 nan 0.000 0.536 230 V N -0.681 119.155 119.914 -0.130 0.000 2.994 230 V HA 0.452 4.631 4.120 0.097 0.000 0.318 230 V C 0.515 176.564 176.094 -0.075 0.000 1.085 230 V CA -0.814 61.345 62.300 -0.235 0.000 0.998 230 V CB 1.736 33.288 31.823 -0.453 0.000 1.063 230 V HN 0.001 nan 8.190 nan 0.000 0.447 231 N N 0.236 118.918 118.700 -0.031 0.000 2.322 231 N HA 0.239 5.037 4.740 0.097 0.000 0.181 231 N C -0.001 175.495 175.510 -0.024 0.000 1.088 231 N CA 0.220 53.271 53.050 0.001 0.000 0.885 231 N CB 0.975 39.492 38.487 0.049 0.000 1.013 231 N HN 0.799 nan 8.380 nan 0.000 0.472 232 E N 0.194 120.361 120.200 -0.055 0.000 2.390 232 E HA 0.408 4.816 4.350 0.097 0.000 0.277 232 E C -1.286 175.250 176.600 -0.108 0.000 0.939 232 E CA -0.437 55.925 56.400 -0.064 0.000 0.769 232 E CB 3.121 32.796 29.700 -0.041 0.000 1.251 232 E HN -0.094 nan 8.360 nan 0.000 0.450 233 M N 2.910 122.443 119.600 -0.112 0.000 2.271 233 M HA 0.433 4.972 4.480 0.097 0.000 0.285 233 M C -1.882 174.321 176.300 -0.161 0.000 1.059 233 M CA -0.490 54.722 55.300 -0.147 0.000 0.940 233 M CB 1.341 33.852 32.600 -0.148 0.000 1.636 233 M HN 0.520 nan 8.290 nan 0.000 0.460 234 I N 5.682 126.128 120.570 -0.207 0.000 2.371 234 I HA 0.307 4.536 4.170 0.097 0.000 0.290 234 I C -0.601 175.351 176.117 -0.276 0.000 1.028 234 I CA -0.245 60.890 61.300 -0.274 0.000 1.345 234 I CB 0.960 38.673 38.000 -0.478 0.000 1.407 234 I HN 0.619 nan 8.210 nan 0.000 0.501 235 I N 6.321 126.737 120.570 -0.257 0.000 2.390 235 I HA 0.468 4.697 4.170 0.097 0.000 0.283 235 I C 0.463 176.476 176.117 -0.174 0.000 1.016 235 I CA -0.089 61.050 61.300 -0.268 0.000 1.151 235 I CB 1.255 38.961 38.000 -0.491 0.000 1.293 235 I HN 0.677 nan 8.210 nan 0.000 0.458 236 G N 2.953 111.677 108.800 -0.126 0.000 3.222 236 G HA2 0.730 4.748 3.960 0.097 0.000 0.263 236 G HA3 0.730 4.748 3.960 0.097 0.000 0.263 236 G C 0.151 175.085 174.900 0.058 0.000 1.312 236 G CA -0.240 44.849 45.100 -0.018 0.000 0.934 236 G HN 0.827 nan 8.290 nan 0.000 0.577 237 G N -0.645 108.249 108.800 0.157 0.000 2.594 237 G HA2 0.086 4.104 3.960 0.097 0.000 0.297 237 G HA3 0.086 4.104 3.960 0.097 0.000 0.297 237 G C 1.485 176.533 174.900 0.247 0.000 1.273 237 G CA 1.091 46.331 45.100 0.233 0.000 0.974 237 G HN 1.919 nan 8.290 nan 0.000 0.552 238 G N -1.196 107.774 108.800 0.283 0.000 2.509 238 G HA2 0.102 4.120 3.960 0.097 0.000 0.218 238 G HA3 0.102 4.120 3.960 0.097 0.000 0.218 238 G C 1.735 176.808 174.900 0.289 0.000 1.124 238 G CA 1.893 47.208 45.100 0.358 0.000 0.776 238 G HN 0.692 nan 8.290 nan 0.000 0.547 239 M N 1.351 121.053 119.600 0.170 0.000 2.229 239 M HA 0.218 4.756 4.480 0.097 0.000 0.264 239 M C 2.577 178.980 176.300 0.171 0.000 1.063 239 M CA 1.305 56.700 55.300 0.159 0.000 1.114 239 M CB -0.201 32.455 32.600 0.094 0.000 1.387 239 M HN 0.207 nan 8.290 nan 0.000 0.420 240 A N -0.843 121.966 122.820 -0.017 0.000 1.969 240 A HA -0.085 4.293 4.320 0.097 0.000 0.218 240 A C 1.821 179.384 177.584 -0.034 0.000 1.169 240 A CA 1.316 53.292 52.037 -0.102 0.000 0.635 240 A CB -1.120 17.715 19.000 -0.275 0.000 0.810 240 A HN 0.524 nan 8.150 nan 0.000 0.445 241 F N 0.652 120.740 119.950 0.229 0.000 2.216 241 F HA -0.111 4.474 4.527 0.097 0.000 0.300 241 F C 2.644 178.608 175.800 0.274 0.000 1.085 241 F CA 1.612 59.723 58.000 0.184 0.000 1.326 241 F CB -1.208 37.855 39.000 0.104 0.000 1.027 241 F HN 0.098 nan 8.300 nan 0.000 0.497 242 T N 0.173 114.983 114.554 0.427 0.000 2.746 242 T HA -0.179 4.229 4.350 0.097 0.000 0.267 242 T C 1.795 176.599 174.700 0.172 0.000 1.039 242 T CA 1.429 63.715 62.100 0.310 0.000 1.142 242 T CB -0.632 68.226 68.868 -0.016 0.000 0.866 242 T HN 0.096 nan 8.240 nan 0.000 0.444 243 F N 1.015 121.035 119.950 0.116 0.000 2.102 243 F HA 0.031 4.616 4.527 0.097 0.000 0.298 243 F C 2.159 178.017 175.800 0.097 0.000 1.105 243 F CA 0.918 58.967 58.000 0.082 0.000 1.239 243 F CB -0.524 38.502 39.000 0.043 0.000 0.991 243 F HN 0.061 nan 8.300 nan 0.000 0.474 244 L N -0.169 121.224 121.223 0.284 0.000 2.093 244 L HA -0.204 4.195 4.340 0.097 0.000 0.208 244 L C 2.429 179.397 176.870 0.163 0.000 1.085 244 L CA 1.282 56.244 54.840 0.204 0.000 0.755 244 L CB -0.622 41.551 42.059 0.191 0.000 0.904 244 L HN 0.090 nan 8.230 nan 0.000 0.435 245 K N 0.149 120.655 120.400 0.176 0.000 2.026 245 K HA -0.157 4.221 4.320 0.097 0.000 0.208 245 K C 1.992 178.646 176.600 0.091 0.000 1.048 245 K CA 1.476 57.827 56.287 0.106 0.000 0.929 245 K CB 0.052 32.595 32.500 0.071 0.000 0.713 245 K HN 0.076 nan 8.250 nan 0.000 0.439 246 V N 1.351 121.333 119.914 0.114 0.000 2.323 246 V HA -0.201 3.978 4.120 0.097 0.000 0.244 246 V C 2.249 178.382 176.094 0.063 0.000 1.041 246 V CA 1.459 63.802 62.300 0.072 0.000 1.025 246 V CB -0.274 31.566 31.823 0.028 0.000 0.656 246 V HN 0.292 nan 8.190 nan 0.000 0.451 247 L N -0.049 121.226 121.223 0.087 0.000 2.131 247 L HA -0.008 4.390 4.340 0.097 0.000 0.206 247 L C 1.930 178.846 176.870 0.077 0.000 1.087 247 L CA 1.322 56.214 54.840 0.087 0.000 0.767 247 L CB -0.415 41.718 42.059 0.123 0.000 0.917 247 L HN 0.382 nan 8.230 nan 0.000 0.441 248 N N -0.461 118.290 118.700 0.086 0.000 2.205 248 N HA 0.020 4.819 4.740 0.097 0.000 0.201 248 N C -0.173 175.372 175.510 0.059 0.000 1.128 248 N CA 0.019 53.114 53.050 0.075 0.000 0.867 248 N CB 0.416 38.959 38.487 0.094 0.000 0.996 248 N HN 0.255 nan 8.380 nan 0.000 0.503 249 N N 1.208 119.939 118.700 0.052 0.000 2.708 249 N HA -0.195 4.603 4.740 0.097 0.000 0.249 249 N C -0.173 175.354 175.510 0.030 0.000 1.097 249 N CA 0.522 53.591 53.050 0.032 0.000 0.710 249 N CB -1.180 37.321 38.487 0.023 0.000 1.032 249 N HN 0.468 nan 8.380 nan 0.000 0.551 250 M N 1.064 120.694 119.600 0.049 0.000 2.228 250 M HA 0.036 4.574 4.480 0.097 0.000 0.351 250 M C 0.392 176.701 176.300 0.015 0.000 1.233 250 M CA 0.314 55.645 55.300 0.052 0.000 1.129 250 M CB 0.532 33.188 32.600 0.094 0.000 1.604 250 M HN -0.071 nan 8.290 nan 0.000 0.457 251 E N 5.668 125.869 120.200 0.001 0.000 2.366 251 E HA 0.057 4.465 4.350 0.097 0.000 0.266 251 E C 0.402 176.979 176.600 -0.038 0.000 1.015 251 E CA 0.265 56.648 56.400 -0.028 0.000 0.906 251 E CB 0.481 30.167 29.700 -0.023 0.000 0.979 251 E HN 0.749 nan 8.360 nan 0.000 0.443 252 I N -0.247 120.278 120.570 -0.075 0.000 4.154 252 I HA 0.291 4.519 4.170 0.097 0.000 0.334 252 I C 0.957 176.975 176.117 -0.165 0.000 1.371 252 I CA -0.034 61.196 61.300 -0.117 0.000 1.110 252 I CB 0.352 38.317 38.000 -0.058 0.000 1.085 252 I HN 0.570 nan 8.210 nan 0.000 0.398 253 G N 2.903 111.644 108.800 -0.099 0.000 2.596 253 G HA2 -0.409 3.609 3.960 0.097 0.000 0.295 253 G HA3 -0.409 3.609 3.960 0.097 0.000 0.295 253 G C 0.689 175.536 174.900 -0.087 0.000 1.240 253 G CA 1.015 46.082 45.100 -0.056 0.000 0.985 253 G HN 0.665 nan 8.290 nan 0.000 0.555 254 T N -1.282 113.229 114.554 -0.072 0.000 3.235 254 T HA 0.550 4.959 4.350 0.097 0.000 0.251 254 T C 1.048 175.668 174.700 -0.133 0.000 1.060 254 T CA 0.977 63.029 62.100 -0.080 0.000 0.949 254 T CB -0.087 68.750 68.868 -0.051 0.000 1.020 254 T HN 0.847 nan 8.240 nan 0.000 0.564 255 S N 1.627 117.178 115.700 -0.249 0.000 2.576 255 S HA 0.313 4.841 4.470 0.097 0.000 0.272 255 S C 0.550 175.053 174.600 -0.163 0.000 1.352 255 S CA -0.686 57.269 58.200 -0.408 0.000 1.021 255 S CB 0.253 62.809 63.200 -1.072 0.000 0.887 255 S HN 0.460 nan 8.310 nan 0.000 0.542 256 L N 2.192 123.369 121.223 -0.077 0.000 2.525 256 L HA 0.209 4.608 4.340 0.097 0.000 0.278 256 L C -0.347 176.669 176.870 0.244 0.000 1.218 256 L CA 0.445 55.334 54.840 0.082 0.000 0.878 256 L CB -0.210 41.914 42.059 0.109 0.000 1.127 256 L HN 0.561 nan 8.230 nan 0.000 0.492 257 F N 2.607 122.579 119.950 0.036 0.000 2.596 257 F HA 0.311 4.897 4.527 0.098 0.000 0.311 257 F C -0.954 174.862 175.800 0.026 0.000 1.116 257 F CA -1.148 56.882 58.000 0.049 0.000 0.957 257 F CB 1.718 40.732 39.000 0.023 0.000 1.250 257 F HN 0.346 nan 8.300 nan 0.000 0.444 258 D N 4.155 124.079 120.400 -0.793 0.000 2.453 258 D HA 0.193 4.892 4.640 0.097 0.000 0.238 258 D C 0.781 176.548 176.300 -0.888 0.000 1.088 258 D CA -0.092 53.541 54.000 -0.611 0.000 0.854 258 D CB 1.295 41.908 40.800 -0.312 0.000 1.076 258 D HN 0.744 nan 8.370 nan 0.000 0.533 259 E N 2.565 122.420 120.200 -0.575 0.000 2.085 259 E HA -0.240 4.168 4.350 0.097 0.000 0.194 259 E C 0.987 177.461 176.600 -0.210 0.000 0.994 259 E CA 1.206 57.427 56.400 -0.298 0.000 0.801 259 E CB 0.329 30.009 29.700 -0.033 0.000 0.743 259 E HN 0.450 nan 8.360 nan 0.000 0.453 260 E N -0.304 119.790 120.200 -0.176 0.000 2.072 260 E HA -0.092 4.317 4.350 0.097 0.000 0.190 260 E C 2.086 178.598 176.600 -0.146 0.000 0.982 260 E CA 1.072 57.398 56.400 -0.122 0.000 0.803 260 E CB -0.577 29.069 29.700 -0.090 0.000 0.755 260 E HN 0.442 nan 8.360 nan 0.000 0.453 261 G N 1.196 109.880 108.800 -0.193 0.000 2.432 261 G HA2 -0.210 3.809 3.960 0.097 0.000 0.219 261 G HA3 -0.210 3.809 3.960 0.097 0.000 0.219 261 G C 1.727 176.474 174.900 -0.256 0.000 1.135 261 G CA 1.126 46.106 45.100 -0.201 0.000 0.767 261 G HN 0.370 nan 8.290 nan 0.000 0.550 262 A N 1.032 123.679 122.820 -0.289 0.000 1.978 262 A HA -0.068 4.310 4.320 0.097 0.000 0.220 262 A C 2.246 179.751 177.584 -0.131 0.000 1.170 262 A CA 1.917 53.831 52.037 -0.205 0.000 0.636 262 A CB -0.342 18.606 19.000 -0.087 0.000 0.810 262 A HN 0.411 nan 8.150 nan 0.000 0.448 263 K N -0.429 119.908 120.400 -0.105 0.000 2.362 263 K HA -0.008 4.370 4.320 0.097 0.000 0.200 263 K C 1.336 177.892 176.600 -0.074 0.000 1.046 263 K CA 1.382 57.629 56.287 -0.067 0.000 0.952 263 K CB -0.275 32.195 32.500 -0.051 0.000 0.753 263 K HN 0.863 nan 8.250 nan 0.000 0.466 264 I N -4.348 116.157 120.570 -0.108 0.000 4.082 264 I HA 0.066 4.294 4.170 0.097 0.000 0.337 264 I C 1.389 177.434 176.117 -0.121 0.000 1.352 264 I CA -0.175 61.072 61.300 -0.089 0.000 1.097 264 I CB 0.299 38.259 38.000 -0.066 0.000 1.048 264 I HN -0.281 nan 8.210 nan 0.000 0.393 265 V N 2.261 122.041 119.914 -0.222 0.000 2.252 265 V HA -0.297 3.882 4.120 0.097 0.000 0.249 265 V C 2.660 178.704 176.094 -0.085 0.000 1.056 265 V CA 2.351 64.459 62.300 -0.320 0.000 1.022 265 V CB -0.765 30.764 31.823 -0.490 0.000 0.641 265 V HN 0.472 nan 8.190 nan 0.000 0.445 266 K N -0.467 119.905 120.400 -0.048 0.000 2.097 266 K HA -0.192 4.187 4.320 0.097 0.000 0.206 266 K C 1.911 178.522 176.600 0.018 0.000 1.049 266 K CA 1.672 57.962 56.287 0.006 0.000 0.933 266 K CB -0.332 32.171 32.500 0.004 0.000 0.717 266 K HN 0.464 nan 8.250 nan 0.000 0.442 267 D N 1.088 121.490 120.400 0.003 0.000 2.117 267 D HA -0.133 4.566 4.640 0.097 0.000 0.197 267 D C 1.940 178.259 176.300 0.031 0.000 0.987 267 D CA 0.960 54.968 54.000 0.012 0.000 0.829 267 D CB -0.194 40.606 40.800 0.000 0.000 0.961 267 D HN 0.113 nan 8.370 nan 0.000 0.460 268 L N 0.098 121.348 121.223 0.046 0.000 2.012 268 L HA -0.178 4.221 4.340 0.097 0.000 0.210 268 L C 2.480 179.414 176.870 0.107 0.000 1.073 268 L CA 0.808 55.704 54.840 0.093 0.000 0.748 268 L CB -0.357 41.805 42.059 0.172 0.000 0.891 268 L HN 0.060 nan 8.230 nan 0.000 0.431 269 M N -0.822 118.853 119.600 0.125 0.000 2.159 269 M HA -0.151 4.387 4.480 0.097 0.000 0.263 269 M C 2.511 178.848 176.300 0.060 0.000 1.063 269 M CA 1.468 56.831 55.300 0.105 0.000 1.110 269 M CB -1.290 31.381 32.600 0.118 0.000 1.374 269 M HN 0.145 nan 8.290 nan 0.000 0.411 270 S N 0.437 116.165 115.700 0.048 0.000 2.370 270 S HA -0.167 4.362 4.470 0.097 0.000 0.226 270 S C 1.951 176.567 174.600 0.027 0.000 1.033 270 S CA 1.495 59.714 58.200 0.032 0.000 1.011 270 S CB -0.225 62.990 63.200 0.025 0.000 0.852 270 S HN 0.446 nan 8.310 nan 0.000 0.457 271 K N 1.281 121.698 120.400 0.030 0.000 2.057 271 K HA -0.020 4.359 4.320 0.097 0.000 0.206 271 K C 2.227 178.839 176.600 0.020 0.000 1.050 271 K CA 1.082 57.383 56.287 0.023 0.000 0.935 271 K CB -0.348 32.166 32.500 0.023 0.000 0.715 271 K HN 0.282 nan 8.250 nan 0.000 0.439 272 A N 1.327 124.162 122.820 0.025 0.000 1.908 272 A HA -0.221 4.157 4.320 0.097 0.000 0.218 272 A C 1.876 179.467 177.584 0.012 0.000 1.181 272 A CA 1.829 53.874 52.037 0.014 0.000 0.627 272 A CB -0.514 18.495 19.000 0.015 0.000 0.818 272 A HN 0.480 nan 8.150 nan 0.000 0.445 273 E N -0.636 119.575 120.200 0.018 0.000 2.051 273 E HA -0.211 4.197 4.350 0.097 0.000 0.192 273 E C 2.127 178.735 176.600 0.012 0.000 0.991 273 E CA 1.373 57.782 56.400 0.015 0.000 0.799 273 E CB -0.148 29.563 29.700 0.018 0.000 0.748 273 E HN 0.663 nan 8.360 nan 0.000 0.449 274 K N 0.715 121.123 120.400 0.013 0.000 2.103 274 K HA -0.162 4.217 4.320 0.097 0.000 0.207 274 K C 1.262 177.868 176.600 0.010 0.000 1.048 274 K CA 1.429 57.723 56.287 0.011 0.000 0.930 274 K CB 0.101 32.608 32.500 0.012 0.000 0.716 274 K HN -0.018 nan 8.250 nan 0.000 0.444 275 N N -0.448 118.257 118.700 0.009 0.000 2.336 275 N HA 0.078 4.876 4.740 0.097 0.000 0.189 275 N C 0.144 175.657 175.510 0.006 0.000 1.113 275 N CA 0.881 53.935 53.050 0.007 0.000 0.858 275 N CB 0.996 39.486 38.487 0.005 0.000 0.970 275 N HN 0.415 nan 8.380 nan 0.000 0.471 276 G N 0.154 108.957 108.800 0.006 0.000 2.221 276 G HA2 -0.252 3.766 3.960 0.097 0.000 0.265 276 G HA3 -0.252 3.766 3.960 0.097 0.000 0.265 276 G C -0.302 174.599 174.900 0.000 0.000 1.041 276 G CA 0.201 45.303 45.100 0.005 0.000 0.807 276 G HN 0.173 nan 8.290 nan 0.000 0.502 277 V N 0.711 120.622 119.914 -0.005 0.000 2.348 277 V HA 0.320 4.498 4.120 0.097 0.000 0.270 277 V C 0.901 176.984 176.094 -0.019 0.000 1.037 277 V CA -0.584 61.706 62.300 -0.017 0.000 0.872 277 V CB 1.453 33.259 31.823 -0.028 0.000 1.002 277 V HN 0.449 nan 8.190 nan 0.000 0.464 278 K N 5.689 126.076 120.400 -0.021 0.000 2.383 278 K HA 0.266 4.644 4.320 0.097 0.000 0.286 278 K C -0.602 175.975 176.600 -0.038 0.000 1.051 278 K CA -0.401 55.873 56.287 -0.021 0.000 0.974 278 K CB 0.362 32.852 32.500 -0.016 0.000 0.968 278 K HN 0.469 nan 8.250 nan 0.000 0.475 279 I N 4.227 124.774 120.570 -0.038 0.000 2.336 279 I HA 0.140 4.369 4.170 0.097 0.000 0.292 279 I C -0.081 176.008 176.117 -0.048 0.000 0.991 279 I CA -0.394 60.867 61.300 -0.064 0.000 1.227 279 I CB 1.405 39.364 38.000 -0.069 0.000 1.366 279 I HN 0.585 nan 8.210 nan 0.000 0.466 280 T N 7.692 122.214 114.554 -0.053 0.000 2.821 280 T HA 0.576 4.984 4.350 0.097 0.000 0.307 280 T C 0.129 174.841 174.700 0.020 0.000 1.034 280 T CA -0.355 61.746 62.100 0.002 0.000 0.953 280 T CB 0.869 69.765 68.868 0.046 0.000 0.968 280 T HN 0.253 nan 8.240 nan 0.000 0.462 281 L N 5.308 126.542 121.223 0.020 0.000 2.352 281 L HA 0.559 4.957 4.340 0.097 0.000 0.269 281 L C -1.739 175.168 176.870 0.062 0.000 1.034 281 L CA -2.416 52.444 54.840 0.034 0.000 0.806 281 L CB 1.170 43.233 42.059 0.007 0.000 1.244 281 L HN 0.358 nan 8.230 nan 0.000 0.447 282 P HA 0.035 nan 4.420 nan 0.000 0.274 282 P C 0.086 177.287 177.300 -0.165 0.000 1.237 282 P CA -0.179 62.839 63.100 -0.136 0.000 0.793 282 P CB 1.260 32.885 31.700 -0.126 0.000 0.977 283 V N -3.085 116.628 119.914 -0.334 0.000 3.502 283 V HA 0.301 4.480 4.120 0.097 0.000 0.288 283 V C -0.214 175.656 176.094 -0.373 0.000 1.461 283 V CA 0.213 62.373 62.300 -0.233 0.000 1.029 283 V CB -0.198 31.534 31.823 -0.152 0.000 0.843 283 V HN 0.601 nan 8.190 nan 0.000 0.438 284 D N -0.486 119.422 120.400 -0.821 0.000 2.622 284 D HA 0.595 5.293 4.640 0.097 0.000 0.255 284 D C -1.253 174.341 176.300 -1.176 0.000 1.246 284 D CA -0.527 53.035 54.000 -0.730 0.000 0.795 284 D CB 1.516 42.153 40.800 -0.271 0.000 1.369 284 D HN 0.051 nan 8.370 nan 0.000 0.425 285 F N -1.012 119.006 119.950 0.113 0.000 2.654 285 F HA 0.499 5.084 4.527 0.097 0.000 0.308 285 F C -0.462 175.450 175.800 0.187 0.000 1.108 285 F CA -1.148 56.963 58.000 0.185 0.000 0.957 285 F CB 2.227 41.383 39.000 0.260 0.000 1.309 285 F HN 0.140 nan 8.300 nan 0.000 0.446 286 V N 1.620 121.785 119.914 0.418 0.000 2.407 286 V HA 0.547 4.725 4.120 0.097 0.000 0.278 286 V C 0.055 176.423 176.094 0.457 0.000 1.037 286 V CA -0.539 62.006 62.300 0.409 0.000 0.900 286 V CB 1.287 33.379 31.823 0.448 0.000 0.983 286 V HN 0.889 nan 8.190 nan 0.000 0.459 287 T N 2.194 117.002 114.554 0.423 0.000 2.952 287 T HA 0.908 5.317 4.350 0.097 0.000 0.286 287 T C -0.313 174.715 174.700 0.547 0.000 1.024 287 T CA -0.509 61.845 62.100 0.423 0.000 1.029 287 T CB 2.137 71.243 68.868 0.397 0.000 1.094 287 T HN 1.066 nan 8.240 nan 0.000 0.515 288 A N 0.934 124.015 122.820 0.435 0.000 2.515 288 A HA 0.622 5.000 4.320 0.097 0.000 0.298 288 A C 0.403 177.866 177.584 -0.202 0.000 1.059 288 A CA -0.593 51.578 52.037 0.223 0.000 0.698 288 A CB 1.468 20.489 19.000 0.035 0.000 1.289 288 A HN 0.893 nan 8.150 nan 0.000 0.404 289 D N 0.688 120.640 120.400 -0.746 0.000 2.349 289 D HA 0.072 4.770 4.640 0.097 0.000 0.215 289 D C 0.279 176.247 176.300 -0.554 0.000 1.016 289 D CA 0.703 53.948 54.000 -1.259 0.000 0.870 289 D CB 0.018 39.894 40.800 -1.540 0.000 0.917 289 D HN 0.676 nan 8.370 nan 0.000 0.524 290 K N -1.916 118.314 120.400 -0.282 0.000 2.642 290 K HA 0.256 4.634 4.320 0.097 0.000 0.290 290 K C -1.541 175.073 176.600 0.022 0.000 1.006 290 K CA -0.988 55.233 56.287 -0.110 0.000 0.869 290 K CB 0.119 32.553 32.500 -0.111 0.000 1.499 290 K HN -0.160 nan 8.250 nan 0.000 0.403 291 F N 2.177 122.111 119.950 -0.027 0.000 2.619 291 F HA 0.325 4.909 4.527 0.096 0.000 0.350 291 F C -0.947 174.927 175.800 0.124 0.000 1.259 291 F CA 0.256 58.323 58.000 0.112 0.000 1.204 291 F CB -0.270 38.804 39.000 0.124 0.000 1.556 291 F HN 0.711 nan 8.300 nan 0.000 0.650 292 D N 1.963 122.143 120.400 -0.367 0.000 2.803 292 D HA 0.089 4.788 4.640 0.097 0.000 0.218 292 D C 0.635 176.232 176.300 -1.171 0.000 1.245 292 D CA -0.426 53.105 54.000 -0.781 0.000 0.821 292 D CB 1.265 41.843 40.800 -0.369 0.000 1.626 292 D HN 0.384 nan 8.370 nan 0.000 0.487 293 E N 1.446 120.516 120.200 -1.883 0.000 2.130 293 E HA -0.207 4.201 4.350 0.097 0.000 0.196 293 E C 0.296 176.564 176.600 -0.553 0.000 0.998 293 E CA 1.124 56.628 56.400 -1.492 0.000 0.806 293 E CB 0.130 28.995 29.700 -1.393 0.000 0.738 293 E HN 0.321 nan 8.360 nan 0.000 0.459 294 N N 0.167 118.615 118.700 -0.421 0.000 2.273 294 N HA 0.163 4.961 4.740 0.097 0.000 0.231 294 N C -0.690 174.735 175.510 -0.143 0.000 1.134 294 N CA 0.316 53.231 53.050 -0.226 0.000 0.856 294 N CB 0.917 39.286 38.487 -0.197 0.000 1.068 294 N HN 0.101 nan 8.380 nan 0.000 0.510 295 A N 1.114 123.868 122.820 -0.110 0.000 2.547 295 A HA 0.028 4.406 4.320 0.097 0.000 0.233 295 A C 0.655 178.245 177.584 0.011 0.000 1.067 295 A CA 0.186 52.194 52.037 -0.049 0.000 0.763 295 A CB 0.425 19.438 19.000 0.021 0.000 1.007 295 A HN 0.176 nan 8.150 nan 0.000 0.506 296 K N 0.539 120.922 120.400 -0.029 0.000 2.355 296 K HA 0.342 4.720 4.320 0.097 0.000 0.270 296 K C 0.416 177.150 176.600 0.224 0.000 1.003 296 K CA 0.624 56.957 56.287 0.076 0.000 0.957 296 K CB 0.449 33.000 32.500 0.084 0.000 0.939 296 K HN 0.871 nan 8.250 nan 0.000 0.482 297 T N -1.568 113.198 114.554 0.354 0.000 2.924 297 T HA 0.756 5.164 4.350 0.097 0.000 0.291 297 T C 0.125 175.095 174.700 0.450 0.000 1.045 297 T CA -0.849 61.532 62.100 0.469 0.000 1.015 297 T CB 2.131 71.183 68.868 0.307 0.000 1.103 297 T HN 0.656 nan 8.240 nan 0.000 0.496 298 G N 0.136 109.168 108.800 0.387 0.000 2.782 298 G HA2 0.628 4.647 3.960 0.097 0.000 0.304 298 G HA3 0.628 4.647 3.960 0.097 0.000 0.304 298 G C -2.028 172.965 174.900 0.156 0.000 1.315 298 G CA -1.005 44.184 45.100 0.148 0.000 0.791 298 G HN 0.778 nan 8.290 nan 0.000 0.519 299 Q N -1.267 118.579 119.800 0.077 0.000 2.397 299 Q HA 0.797 5.196 4.340 0.097 0.000 0.275 299 Q C -0.511 175.545 176.000 0.093 0.000 1.090 299 Q CA -0.466 55.403 55.803 0.110 0.000 0.809 299 Q CB 2.577 31.359 28.738 0.074 0.000 1.362 299 Q HN 1.065 nan 8.270 nan 0.000 0.431 300 A N 0.417 123.342 122.820 0.175 0.000 2.606 300 A HA 0.892 5.271 4.320 0.097 0.000 0.293 300 A C -0.903 176.839 177.584 0.263 0.000 1.082 300 A CA -0.543 51.610 52.037 0.194 0.000 0.685 300 A CB 1.484 20.615 19.000 0.218 0.000 1.284 300 A HN 0.711 nan 8.150 nan 0.000 0.408 301 T N -1.898 112.784 114.554 0.214 0.000 2.940 301 T HA 0.537 4.946 4.350 0.097 0.000 0.288 301 T C 0.931 175.808 174.700 0.295 0.000 1.045 301 T CA -0.011 62.203 62.100 0.190 0.000 1.018 301 T CB 0.943 69.857 68.868 0.076 0.000 1.151 301 T HN 0.776 nan 8.240 nan 0.000 0.529 302 V N 1.219 121.306 119.914 0.288 0.000 2.392 302 V HA -0.140 4.038 4.120 0.097 0.000 0.249 302 V C 3.078 179.261 176.094 0.148 0.000 1.059 302 V CA 2.506 64.967 62.300 0.268 0.000 1.051 302 V CB -1.537 30.413 31.823 0.211 0.000 0.658 302 V HN 1.067 nan 8.190 nan 0.000 0.455 303 A N 0.543 123.424 122.820 0.102 0.000 1.930 303 A HA -0.189 4.189 4.320 0.097 0.000 0.217 303 A C 2.524 180.142 177.584 0.057 0.000 1.175 303 A CA 2.190 54.266 52.037 0.065 0.000 0.627 303 A CB -0.648 18.378 19.000 0.043 0.000 0.815 303 A HN 0.691 nan 8.150 nan 0.000 0.443 304 S N -1.373 114.367 115.700 0.066 0.000 2.436 304 S HA 0.380 4.908 4.470 0.097 0.000 0.228 304 S C 1.292 175.916 174.600 0.039 0.000 1.014 304 S CA 1.013 59.238 58.200 0.042 0.000 0.950 304 S CB -0.979 62.242 63.200 0.036 0.000 0.784 304 S HN 2.111 nan 8.310 nan 0.000 0.504 305 G N 0.765 109.606 108.800 0.068 0.000 2.860 305 G HA2 -0.156 3.863 3.960 0.097 0.000 0.553 305 G HA3 -0.156 3.863 3.960 0.097 0.000 0.553 305 G C -0.668 174.247 174.900 0.025 0.000 1.439 305 G CA -0.323 44.804 45.100 0.046 0.000 0.879 305 G HN 0.582 nan 8.290 nan 0.000 0.545 306 I N 2.103 122.667 120.570 -0.010 0.000 2.359 306 I HA 0.328 4.556 4.170 0.097 0.000 0.294 306 I C -1.751 174.346 176.117 -0.033 0.000 0.987 306 I CA -2.109 59.174 61.300 -0.028 0.000 1.225 306 I CB 1.986 39.947 38.000 -0.064 0.000 1.366 306 I HN 0.277 nan 8.210 nan 0.000 0.466 307 P HA 0.036 nan 4.420 nan 0.000 0.267 307 P C -0.519 176.828 177.300 0.078 0.000 1.200 307 P CA -0.314 62.745 63.100 -0.068 0.000 0.772 307 P CB 0.458 31.975 31.700 -0.305 0.000 0.855 308 A N 2.526 125.391 122.820 0.075 0.000 2.565 308 A HA 0.386 4.765 4.320 0.097 0.000 0.237 308 A C 1.578 179.294 177.584 0.221 0.000 1.053 308 A CA 0.772 52.869 52.037 0.101 0.000 0.755 308 A CB -1.412 17.623 19.000 0.058 0.000 0.980 308 A HN 0.919 nan 8.150 nan 0.000 0.506 309 G N 0.404 109.294 108.800 0.150 0.000 2.179 309 G HA2 -0.253 3.765 3.960 0.097 0.000 0.260 309 G HA3 -0.253 3.765 3.960 0.097 0.000 0.260 309 G C -0.194 174.741 174.900 0.058 0.000 0.977 309 G CA 0.595 45.758 45.100 0.104 0.000 0.641 309 G HN 0.840 nan 8.290 nan 0.000 0.533 310 W N 0.596 121.875 121.300 -0.034 0.000 2.706 310 W HA 0.807 5.526 4.660 0.098 0.000 0.346 310 W C 0.559 177.029 176.519 -0.083 0.000 1.071 310 W CA -1.028 56.299 57.345 -0.030 0.000 1.206 310 W CB 1.032 30.488 29.460 -0.008 0.000 1.413 310 W HN 0.254 nan 8.180 nan 0.000 0.542 311 M N 1.552 121.215 119.600 0.104 0.000 2.465 311 M HA 0.781 5.320 4.480 0.097 0.000 0.316 311 M C 0.181 176.441 176.300 -0.067 0.000 1.121 311 M CA -0.952 54.305 55.300 -0.072 0.000 0.934 311 M CB 1.740 34.287 32.600 -0.088 0.000 1.692 311 M HN 0.518 nan 8.290 nan 0.000 0.444 312 G N 2.906 111.538 108.800 -0.280 0.000 2.360 312 G HA2 0.506 4.524 3.960 0.097 0.000 0.279 312 G HA3 0.506 4.524 3.960 0.097 0.000 0.279 312 G C 0.079 175.036 174.900 0.095 0.000 1.189 312 G CA -0.646 44.432 45.100 -0.036 0.000 0.941 312 G HN 0.873 nan 8.290 nan 0.000 0.445 313 L N 1.406 122.712 121.223 0.139 0.000 2.731 313 L HA 0.338 4.736 4.340 0.097 0.000 0.240 313 L C 0.171 177.220 176.870 0.298 0.000 1.120 313 L CA 0.041 54.915 54.840 0.057 0.000 0.913 313 L CB 0.496 42.221 42.059 -0.557 0.000 1.213 313 L HN 0.405 nan 8.230 nan 0.000 0.515 314 D N -0.865 119.804 120.400 0.448 0.000 2.583 314 D HA 0.278 4.976 4.640 0.097 0.000 0.248 314 D C -0.738 175.830 176.300 0.446 0.000 1.209 314 D CA -0.476 53.800 54.000 0.460 0.000 0.848 314 D CB 2.038 43.125 40.800 0.479 0.000 1.431 314 D HN 0.048 nan 8.370 nan 0.000 0.436 315 C N 0.447 119.938 119.300 0.320 0.000 2.563 315 C HA 1.001 5.520 4.460 0.097 0.000 0.358 315 C C 1.113 176.127 174.990 0.039 0.000 1.336 315 C CA -0.066 59.016 59.018 0.106 0.000 2.454 315 C CB 0.158 27.899 27.740 0.001 0.000 2.448 315 C HN 0.498 nan 8.230 nan 0.000 0.670 316 G N 0.085 108.807 108.800 -0.129 0.000 2.671 316 G HA2 0.648 4.666 3.960 0.097 0.000 0.275 316 G HA3 0.648 4.666 3.960 0.097 0.000 0.275 316 G C -1.827 172.995 174.900 -0.129 0.000 1.368 316 G CA -0.598 44.451 45.100 -0.084 0.000 1.044 316 G HN 0.555 nan 8.290 nan 0.000 0.543 317 P HA 0.019 nan 4.420 nan 0.000 0.220 317 P C 1.122 178.336 177.300 -0.143 0.000 1.152 317 P CA 0.849 63.890 63.100 -0.099 0.000 0.812 317 P CB 0.422 32.085 31.700 -0.060 0.000 0.792 318 E N 0.102 120.205 120.200 -0.161 0.000 2.152 318 E HA -0.044 4.365 4.350 0.097 0.000 0.192 318 E C 2.179 178.622 176.600 -0.263 0.000 0.983 318 E CA 0.830 57.126 56.400 -0.173 0.000 0.818 318 E CB -0.641 28.972 29.700 -0.144 0.000 0.758 318 E HN 0.235 nan 8.360 nan 0.000 0.467 319 S N 0.996 116.474 115.700 -0.370 0.000 2.368 319 S HA -0.092 4.436 4.470 0.097 0.000 0.224 319 S C 2.189 176.320 174.600 -0.782 0.000 1.029 319 S CA 1.022 58.846 58.200 -0.626 0.000 0.988 319 S CB -0.134 62.643 63.200 -0.705 0.000 0.838 319 S HN 0.156 nan 8.310 nan 0.000 0.462 320 S N 1.239 116.653 115.700 -0.476 0.000 2.383 320 S HA -0.134 4.394 4.470 0.097 0.000 0.229 320 S C 1.850 176.337 174.600 -0.188 0.000 1.030 320 S CA 1.252 59.284 58.200 -0.280 0.000 1.002 320 S CB -0.226 62.898 63.200 -0.127 0.000 0.829 320 S HN 0.490 nan 8.310 nan 0.000 0.467 321 K N 1.202 121.494 120.400 -0.180 0.000 2.026 321 K HA -0.099 4.280 4.320 0.097 0.000 0.208 321 K C 1.989 178.527 176.600 -0.104 0.000 1.048 321 K CA 1.252 57.470 56.287 -0.116 0.000 0.929 321 K CB -0.064 32.375 32.500 -0.101 0.000 0.713 321 K HN 0.205 nan 8.250 nan 0.000 0.439 322 K N -0.518 119.788 120.400 -0.156 0.000 2.057 322 K HA -0.146 4.232 4.320 0.097 0.000 0.206 322 K C 2.154 178.767 176.600 0.021 0.000 1.050 322 K CA 1.370 57.601 56.287 -0.093 0.000 0.935 322 K CB -0.198 32.223 32.500 -0.131 0.000 0.715 322 K HN 0.157 nan 8.250 nan 0.000 0.439 323 Y N 0.838 121.073 120.300 -0.108 0.000 2.181 323 Y HA -0.142 4.466 4.550 0.098 0.000 0.288 323 Y C 2.517 178.341 175.900 -0.127 0.000 1.146 323 Y CA 0.511 58.530 58.100 -0.135 0.000 1.164 323 Y CB -1.158 37.203 38.460 -0.165 0.000 0.982 323 Y HN 0.058 nan 8.280 nan 0.000 0.515 324 A N 0.250 123.100 122.820 0.049 0.000 1.908 324 A HA -0.227 4.152 4.320 0.097 0.000 0.218 324 A C 2.147 179.725 177.584 -0.011 0.000 1.181 324 A CA 1.846 53.880 52.037 -0.006 0.000 0.627 324 A CB -0.726 18.260 19.000 -0.024 0.000 0.818 324 A HN 0.525 nan 8.150 nan 0.000 0.445 325 E N -0.248 119.946 120.200 -0.010 0.000 2.085 325 E HA -0.132 4.276 4.350 0.097 0.000 0.194 325 E C 2.277 178.871 176.600 -0.009 0.000 0.994 325 E CA 1.076 57.469 56.400 -0.012 0.000 0.801 325 E CB -0.298 29.392 29.700 -0.016 0.000 0.743 325 E HN 0.640 nan 8.360 nan 0.000 0.453 326 A N 0.799 123.616 122.820 -0.005 0.000 1.898 326 A HA -0.117 4.262 4.320 0.097 0.000 0.216 326 A C 2.490 180.059 177.584 -0.025 0.000 1.181 326 A CA 0.991 53.018 52.037 -0.016 0.000 0.620 326 A CB -0.551 18.433 19.000 -0.026 0.000 0.819 326 A HN 0.118 nan 8.150 nan 0.000 0.442 327 V N -0.123 119.769 119.914 -0.038 0.000 2.407 327 V HA -0.225 3.953 4.120 0.097 0.000 0.248 327 V C 2.699 178.783 176.094 -0.015 0.000 1.055 327 V CA 2.447 64.723 62.300 -0.040 0.000 1.049 327 V CB -1.217 30.568 31.823 -0.064 0.000 0.662 327 V HN 0.598 nan 8.190 nan 0.000 0.455 328 T N -0.478 114.068 114.554 -0.013 0.000 2.867 328 T HA -0.151 4.257 4.350 0.097 0.000 0.268 328 T C 1.997 176.696 174.700 -0.001 0.000 1.057 328 T CA 1.189 63.285 62.100 -0.007 0.000 1.136 328 T CB -0.219 68.643 68.868 -0.009 0.000 0.874 328 T HN 0.437 nan 8.240 nan 0.000 0.466 329 R N 0.969 121.469 120.500 -0.000 0.000 2.189 329 R HA 0.260 4.659 4.340 0.097 0.000 0.218 329 R C 1.090 177.400 176.300 0.016 0.000 1.074 329 R CA 0.101 56.204 56.100 0.006 0.000 0.991 329 R CB -0.082 30.221 30.300 0.004 0.000 0.883 329 R HN 0.261 nan 8.270 nan 0.000 0.457 330 A N 1.337 124.168 122.820 0.020 0.000 2.425 330 A HA 0.123 4.502 4.320 0.097 0.000 0.249 330 A C 0.553 178.161 177.584 0.039 0.000 1.084 330 A CA -0.106 51.956 52.037 0.042 0.000 0.781 330 A CB 0.517 19.547 19.000 0.050 0.000 1.019 330 A HN 0.011 nan 8.150 nan 0.000 0.490 331 K N 0.157 120.584 120.400 0.045 0.000 2.360 331 K HA 0.145 4.523 4.320 0.097 0.000 0.196 331 K C 0.341 176.948 176.600 0.011 0.000 1.049 331 K CA 0.572 56.872 56.287 0.021 0.000 1.049 331 K CB 0.587 33.090 32.500 0.005 0.000 0.881 331 K HN 0.827 nan 8.250 nan 0.000 0.542 332 Q N 0.220 120.048 119.800 0.047 0.000 2.340 332 Q HA 0.507 4.905 4.340 0.097 0.000 0.276 332 Q C -1.681 174.461 176.000 0.236 0.000 1.048 332 Q CA -0.446 55.377 55.803 0.032 0.000 0.832 332 Q CB 1.935 30.526 28.738 -0.246 0.000 1.373 332 Q HN -0.009 nan 8.270 nan 0.000 0.409 333 I N 2.696 123.414 120.570 0.247 0.000 2.619 333 I HA 0.474 4.702 4.170 0.097 0.000 0.292 333 I C -1.060 175.280 176.117 0.371 0.000 1.100 333 I CA -1.083 60.395 61.300 0.297 0.000 1.043 333 I CB 2.353 40.455 38.000 0.171 0.000 1.239 333 I HN 0.337 nan 8.210 nan 0.000 0.420 334 V N 4.839 124.992 119.914 0.398 0.000 2.409 334 V HA 0.366 4.544 4.120 0.097 0.000 0.291 334 V C -1.347 174.939 176.094 0.321 0.000 1.020 334 V CA -0.398 62.129 62.300 0.378 0.000 0.848 334 V CB 1.924 33.996 31.823 0.415 0.000 0.990 334 V HN 0.656 nan 8.190 nan 0.000 0.430 335 W N 6.912 128.274 121.300 0.102 0.000 2.475 335 W HA 0.520 5.240 4.660 0.100 0.000 0.320 335 W C -0.737 175.807 176.519 0.041 0.000 1.022 335 W CA -1.317 56.051 57.345 0.038 0.000 1.240 335 W CB 1.204 30.675 29.460 0.018 0.000 1.328 335 W HN 0.599 nan 8.180 nan 0.000 0.439 336 N N 4.437 123.326 118.700 0.314 0.000 2.399 336 N HA 0.535 5.334 4.740 0.097 0.000 0.284 336 N C -0.542 175.049 175.510 0.136 0.000 1.025 336 N CA 0.118 53.215 53.050 0.078 0.000 0.885 336 N CB 1.611 40.133 38.487 0.058 0.000 1.339 336 N HN 0.808 nan 8.380 nan 0.000 0.487 337 G N 3.139 111.940 108.800 0.002 0.000 3.445 337 G HA2 -0.120 3.899 3.960 0.097 0.000 0.686 337 G HA3 -0.120 3.899 3.960 0.097 0.000 0.686 337 G C -3.195 171.861 174.900 0.259 0.000 1.113 337 G CA -1.043 44.123 45.100 0.111 0.000 0.974 337 G HN 0.437 nan 8.290 nan 0.000 0.492 338 P HA 0.276 nan 4.420 nan 0.000 0.269 338 P C 1.314 178.840 177.300 0.377 0.000 1.217 338 P CA 0.256 63.544 63.100 0.312 0.000 0.783 338 P CB 0.815 32.666 31.700 0.253 0.000 0.898 339 V N -1.377 118.781 119.914 0.406 0.000 3.633 339 V HA 0.505 4.684 4.120 0.097 0.000 0.283 339 V C 0.621 176.931 176.094 0.359 0.000 1.305 339 V CA 0.872 63.364 62.300 0.320 0.000 1.153 339 V CB -0.774 31.200 31.823 0.251 0.000 0.950 339 V HN 0.659 nan 8.190 nan 0.000 0.432 340 G N -0.950 108.086 108.800 0.393 0.000 2.548 340 G HA2 0.460 4.478 3.960 0.097 0.000 0.301 340 G HA3 0.460 4.478 3.960 0.097 0.000 0.301 340 G C -1.164 173.976 174.900 0.400 0.000 1.349 340 G CA -0.215 45.125 45.100 0.401 0.000 0.792 340 G HN 0.143 nan 8.290 nan 0.000 0.481 341 V N 2.352 122.471 119.914 0.341 0.000 2.149 341 V HA 0.129 4.308 4.120 0.097 0.000 0.245 341 V C 1.380 177.587 176.094 0.190 0.000 1.349 341 V CA 0.256 62.656 62.300 0.165 0.000 1.289 341 V CB -1.426 30.386 31.823 -0.019 0.000 1.401 341 V HN 0.632 nan 8.190 nan 0.000 0.501 342 F N 1.240 121.291 119.950 0.168 0.000 2.451 342 F HA -0.022 4.562 4.527 0.096 0.000 0.299 342 F C 1.601 177.460 175.800 0.098 0.000 1.101 342 F CA 0.822 58.960 58.000 0.230 0.000 1.436 342 F CB -0.243 38.926 39.000 0.282 0.000 1.074 342 F HN 0.361 nan 8.300 nan 0.000 0.553 343 E N -0.266 119.337 120.200 -0.995 0.000 2.268 343 E HA -0.103 4.305 4.350 0.097 0.000 0.195 343 E C -0.158 176.352 176.600 -0.150 0.000 0.995 343 E CA 0.845 56.768 56.400 -0.796 0.000 0.836 343 E CB -0.141 29.045 29.700 -0.856 0.000 0.763 343 E HN 0.379 nan 8.360 nan 0.000 0.491 344 W N 0.909 122.166 121.300 -0.070 0.000 2.417 344 W HA 0.284 5.002 4.660 0.097 0.000 0.315 344 W C 0.880 177.409 176.519 0.017 0.000 1.045 344 W CA -1.248 56.100 57.345 0.006 0.000 1.221 344 W CB 1.175 30.716 29.460 0.135 0.000 1.309 344 W HN -0.094 nan 8.180 nan 0.000 0.453 345 E N 2.180 122.485 120.200 0.174 0.000 2.171 345 E HA -0.175 4.233 4.350 0.097 0.000 0.197 345 E C 2.080 178.676 176.600 -0.008 0.000 0.997 345 E CA 1.504 57.969 56.400 0.108 0.000 0.810 345 E CB -0.270 29.471 29.700 0.069 0.000 0.738 345 E HN 0.509 nan 8.360 nan 0.000 0.467 346 A N -0.180 122.492 122.820 -0.247 0.000 2.070 346 A HA -0.132 4.246 4.320 0.097 0.000 0.220 346 A C 1.121 178.327 177.584 -0.630 0.000 1.159 346 A CA 1.000 52.688 52.037 -0.583 0.000 0.656 346 A CB -0.389 17.992 19.000 -1.031 0.000 0.800 346 A HN 0.177 nan 8.150 nan 0.000 0.453 347 F N -2.184 117.920 119.950 0.256 0.000 2.764 347 F HA 0.516 5.101 4.527 0.097 0.000 0.310 347 F C 1.565 177.547 175.800 0.304 0.000 1.124 347 F CA -0.284 57.882 58.000 0.276 0.000 1.252 347 F CB -0.069 39.112 39.000 0.301 0.000 1.010 347 F HN 0.152 nan 8.300 nan 0.000 0.518 348 A N -0.346 122.704 122.820 0.383 0.000 2.252 348 A HA 0.139 4.518 4.320 0.097 0.000 0.213 348 A C 2.253 180.062 177.584 0.375 0.000 1.188 348 A CA 0.060 52.390 52.037 0.487 0.000 0.863 348 A CB -0.215 19.116 19.000 0.552 0.000 0.893 348 A HN 0.248 nan 8.150 nan 0.000 0.495 349 R N 0.103 120.749 120.500 0.242 0.000 2.081 349 R HA -0.122 4.276 4.340 0.097 0.000 0.235 349 R C 2.138 178.497 176.300 0.098 0.000 1.131 349 R CA 1.669 57.844 56.100 0.125 0.000 0.960 349 R CB -0.504 29.852 30.300 0.094 0.000 0.856 349 R HN 0.442 nan 8.270 nan 0.000 0.436 350 G N -0.905 107.996 108.800 0.169 0.000 2.418 350 G HA2 -0.215 3.803 3.960 0.097 0.000 0.217 350 G HA3 -0.215 3.803 3.960 0.097 0.000 0.217 350 G C 1.281 176.286 174.900 0.176 0.000 1.158 350 G CA 1.206 46.402 45.100 0.160 0.000 0.771 350 G HN 0.340 nan 8.290 nan 0.000 0.545 351 T N 0.565 115.276 114.554 0.263 0.000 2.857 351 T HA -0.047 4.361 4.350 0.097 0.000 0.266 351 T C 2.314 177.037 174.700 0.038 0.000 1.048 351 T CA 1.498 63.792 62.100 0.323 0.000 1.139 351 T CB -0.076 69.115 68.868 0.538 0.000 0.874 351 T HN 0.280 nan 8.240 nan 0.000 0.455 352 K N 2.226 122.426 120.400 -0.333 0.000 2.026 352 K HA 0.086 4.464 4.320 0.097 0.000 0.208 352 K C 2.259 178.622 176.600 -0.395 0.000 1.048 352 K CA 1.589 57.340 56.287 -0.892 0.000 0.929 352 K CB -0.904 31.047 32.500 -0.915 0.000 0.713 352 K HN 0.239 nan 8.250 nan 0.000 0.439 353 A N 0.534 123.243 122.820 -0.184 0.000 1.902 353 A HA -0.116 4.263 4.320 0.097 0.000 0.217 353 A C 2.139 179.678 177.584 -0.076 0.000 1.181 353 A CA 1.655 53.629 52.037 -0.106 0.000 0.623 353 A CB -0.741 18.227 19.000 -0.052 0.000 0.818 353 A HN 0.360 nan 8.150 nan 0.000 0.443 354 L N -1.280 119.915 121.223 -0.047 0.000 2.056 354 L HA -0.098 4.300 4.340 0.097 0.000 0.207 354 L C 2.410 179.239 176.870 -0.068 0.000 1.078 354 L CA 2.550 57.321 54.840 -0.115 0.000 0.749 354 L CB -0.598 41.307 42.059 -0.256 0.000 0.901 354 L HN 0.452 nan 8.230 nan 0.000 0.433 355 M N -0.325 119.330 119.600 0.091 0.000 2.080 355 M HA -0.214 4.324 4.480 0.097 0.000 0.260 355 M C 1.740 178.074 176.300 0.056 0.000 1.068 355 M CA 1.811 57.232 55.300 0.203 0.000 1.109 355 M CB -0.699 32.004 32.600 0.171 0.000 1.342 355 M HN 0.274 nan 8.290 nan 0.000 0.405 356 D N 0.084 120.457 120.400 -0.046 0.000 2.116 356 D HA -0.185 4.513 4.640 0.097 0.000 0.193 356 D C 1.966 178.255 176.300 -0.018 0.000 0.998 356 D CA 1.514 55.487 54.000 -0.044 0.000 0.836 356 D CB -0.373 40.379 40.800 -0.079 0.000 0.951 356 D HN 0.463 nan 8.370 nan 0.000 0.449 357 E N 0.332 120.515 120.200 -0.029 0.000 2.072 357 E HA -0.084 4.324 4.350 0.097 0.000 0.191 357 E C 2.476 179.071 176.600 -0.009 0.000 0.985 357 E CA 0.332 56.716 56.400 -0.028 0.000 0.801 357 E CB -0.348 29.323 29.700 -0.049 0.000 0.750 357 E HN 0.187 nan 8.360 nan 0.000 0.452 358 V N 1.213 121.132 119.914 0.009 0.000 2.427 358 V HA -0.185 3.994 4.120 0.097 0.000 0.248 358 V C 2.559 178.695 176.094 0.070 0.000 1.051 358 V CA 1.094 63.427 62.300 0.054 0.000 1.048 358 V CB -0.416 31.491 31.823 0.140 0.000 0.666 358 V HN 0.049 nan 8.190 nan 0.000 0.456 359 V N -0.285 119.670 119.914 0.068 0.000 2.295 359 V HA -0.271 3.907 4.120 0.097 0.000 0.246 359 V C 2.441 178.555 176.094 0.034 0.000 1.049 359 V CA 2.033 64.366 62.300 0.055 0.000 1.024 359 V CB -0.647 31.207 31.823 0.051 0.000 0.648 359 V HN 0.518 nan 8.190 nan 0.000 0.447 360 K N 0.081 120.493 120.400 0.021 0.000 2.063 360 K HA -0.174 4.205 4.320 0.097 0.000 0.208 360 K C 2.289 178.897 176.600 0.013 0.000 1.048 360 K CA 1.518 57.812 56.287 0.012 0.000 0.928 360 K CB -0.426 32.075 32.500 0.001 0.000 0.713 360 K HN 0.488 nan 8.250 nan 0.000 0.442 361 A N 0.911 123.741 122.820 0.017 0.000 1.902 361 A HA -0.169 4.210 4.320 0.097 0.000 0.217 361 A C 2.212 179.810 177.584 0.024 0.000 1.181 361 A CA 2.131 54.178 52.037 0.018 0.000 0.623 361 A CB -1.021 17.991 19.000 0.020 0.000 0.818 361 A HN 0.286 nan 8.150 nan 0.000 0.443 362 T N 0.392 114.967 114.554 0.034 0.000 2.720 362 T HA -0.138 4.271 4.350 0.097 0.000 0.268 362 T C 2.134 176.848 174.700 0.024 0.000 1.037 362 T CA 1.787 63.908 62.100 0.034 0.000 1.144 362 T CB -0.421 68.473 68.868 0.043 0.000 0.864 362 T HN 0.476 nan 8.240 nan 0.000 0.444 363 S N 1.607 117.319 115.700 0.020 0.000 2.442 363 S HA -0.098 4.430 4.470 0.097 0.000 0.236 363 S C 1.855 176.461 174.600 0.010 0.000 1.007 363 S CA 1.005 59.214 58.200 0.015 0.000 0.965 363 S CB -0.156 63.052 63.200 0.013 0.000 0.773 363 S HN 0.641 nan 8.310 nan 0.000 0.504 364 R N 0.513 121.019 120.500 0.010 0.000 2.427 364 R HA 0.482 4.881 4.340 0.097 0.000 0.262 364 R C 1.013 177.317 176.300 0.006 0.000 0.943 364 R CA 0.582 56.686 56.100 0.006 0.000 1.081 364 R CB -0.601 29.702 30.300 0.005 0.000 1.166 364 R HN 0.159 nan 8.270 nan 0.000 0.534 365 G N -0.828 107.977 108.800 0.008 0.000 2.192 365 G HA2 -0.253 3.765 3.960 0.097 0.000 0.193 365 G HA3 -0.253 3.765 3.960 0.097 0.000 0.193 365 G C 0.043 174.947 174.900 0.007 0.000 0.999 365 G CA -0.291 44.812 45.100 0.005 0.000 0.659 365 G HN 0.444 nan 8.290 nan 0.000 0.503 366 C N 1.491 120.800 119.300 0.014 0.000 2.653 366 C HA 0.569 5.087 4.460 0.097 0.000 0.421 366 C C 1.283 176.289 174.990 0.027 0.000 1.334 366 C CA -0.458 58.573 59.018 0.021 0.000 1.885 366 C CB -0.743 27.016 27.740 0.031 0.000 2.645 366 C HN 0.362 nan 8.230 nan 0.000 0.601 367 I N 6.134 126.715 120.570 0.019 0.000 2.337 367 I HA 0.238 4.467 4.170 0.097 0.000 0.291 367 I C 0.565 176.725 176.117 0.073 0.000 1.046 367 I CA 0.435 61.754 61.300 0.031 0.000 1.324 367 I CB 0.793 38.782 38.000 -0.017 0.000 1.409 367 I HN 0.779 nan 8.210 nan 0.000 0.494 368 T N 4.855 119.469 114.554 0.100 0.000 2.812 368 T HA 0.715 5.123 4.350 0.097 0.000 0.282 368 T C -0.559 174.231 174.700 0.149 0.000 0.990 368 T CA -0.645 61.536 62.100 0.136 0.000 0.960 368 T CB 1.399 70.341 68.868 0.125 0.000 0.948 368 T HN 0.298 nan 8.240 nan 0.000 0.438 369 I N 3.810 124.500 120.570 0.199 0.000 2.439 369 I HA 0.467 4.695 4.170 0.097 0.000 0.285 369 I C -0.576 175.672 176.117 0.219 0.000 1.021 369 I CA -0.983 60.434 61.300 0.196 0.000 1.091 369 I CB 1.701 39.862 38.000 0.267 0.000 1.242 369 I HN 0.572 nan 8.210 nan 0.000 0.439 370 I N 5.186 125.821 120.570 0.108 0.000 2.378 370 I HA 0.678 4.906 4.170 0.097 0.000 0.291 370 I C 0.326 176.431 176.117 -0.020 0.000 0.992 370 I CA -0.379 60.930 61.300 0.014 0.000 1.154 370 I CB 1.956 39.882 38.000 -0.124 0.000 1.315 370 I HN 0.658 nan 8.210 nan 0.000 0.448 371 G N 3.205 112.000 108.800 -0.009 0.000 2.612 371 G HA2 0.803 4.821 3.960 0.097 0.000 0.298 371 G HA3 0.803 4.821 3.960 0.097 0.000 0.298 371 G C -0.759 174.120 174.900 -0.034 0.000 1.336 371 G CA -0.749 44.374 45.100 0.038 0.000 0.953 371 G HN 0.992 nan 8.290 nan 0.000 0.482 372 G N -1.240 107.552 108.800 -0.012 0.000 2.335 372 G HA2 0.467 4.485 3.960 0.097 0.000 0.592 372 G HA3 0.467 4.485 3.960 0.097 0.000 0.592 372 G C 0.827 175.717 174.900 -0.017 0.000 1.442 372 G CA 0.131 45.222 45.100 -0.016 0.000 0.976 372 G HN 1.597 nan 8.290 nan 0.000 0.652 373 G N -0.534 108.276 108.800 0.016 0.000 2.440 373 G HA2 -0.074 3.944 3.960 0.097 0.000 0.218 373 G HA3 -0.074 3.944 3.960 0.097 0.000 0.218 373 G C 1.124 176.035 174.900 0.018 0.000 1.154 373 G CA 2.053 47.168 45.100 0.025 0.000 0.767 373 G HN 0.682 nan 8.290 nan 0.000 0.552 374 D N -0.076 120.343 120.400 0.031 0.000 2.162 374 D HA -0.036 4.663 4.640 0.097 0.000 0.205 374 D C 2.710 178.983 176.300 -0.045 0.000 0.964 374 D CA 1.324 55.374 54.000 0.084 0.000 0.847 374 D CB -0.363 40.529 40.800 0.154 0.000 0.988 374 D HN 0.222 nan 8.370 nan 0.000 0.480 375 T N 1.275 115.731 114.554 -0.164 0.000 2.821 375 T HA -0.056 4.352 4.350 0.097 0.000 0.267 375 T C 2.081 176.537 174.700 -0.406 0.000 1.046 375 T CA 1.149 63.006 62.100 -0.406 0.000 1.139 375 T CB -0.136 68.435 68.868 -0.494 0.000 0.871 375 T HN 0.141 nan 8.240 nan 0.000 0.454 376 A N 1.429 124.104 122.820 -0.242 0.000 2.019 376 A HA -0.082 4.296 4.320 0.097 0.000 0.219 376 A C 2.457 179.935 177.584 -0.177 0.000 1.164 376 A CA 1.611 53.530 52.037 -0.197 0.000 0.644 376 A CB -1.053 17.875 19.000 -0.120 0.000 0.805 376 A HN 0.461 nan 8.150 nan 0.000 0.449 377 T N -0.827 113.639 114.554 -0.146 0.000 2.995 377 T HA -0.134 4.275 4.350 0.097 0.000 0.269 377 T C 1.798 176.373 174.700 -0.207 0.000 1.091 377 T CA 1.287 63.339 62.100 -0.079 0.000 1.128 377 T CB -0.658 68.264 68.868 0.091 0.000 0.891 377 T HN 0.628 nan 8.240 nan 0.000 0.492 378 C N 0.937 119.930 119.300 -0.511 0.000 2.429 378 C HA -0.089 4.429 4.460 0.097 0.000 0.277 378 C C 3.044 177.905 174.990 -0.215 0.000 1.262 378 C CA -0.121 58.517 59.018 -0.634 0.000 1.733 378 C CB -1.439 25.936 27.740 -0.609 0.000 2.010 378 C HN 0.643 nan 8.230 nan 0.000 0.483 379 C N 1.069 120.274 119.300 -0.159 0.000 2.429 379 C HA -0.025 4.494 4.460 0.097 0.000 0.277 379 C C 3.159 178.128 174.990 -0.035 0.000 1.262 379 C CA 1.134 60.127 59.018 -0.042 0.000 1.733 379 C CB -1.554 26.140 27.740 -0.078 0.000 2.010 379 C HN 0.708 nan 8.230 nan 0.000 0.483 380 A N 0.675 123.444 122.820 -0.086 0.000 1.877 380 A HA -0.248 4.131 4.320 0.097 0.000 0.216 380 A C 2.219 179.748 177.584 -0.091 0.000 1.186 380 A CA 2.123 54.117 52.037 -0.072 0.000 0.620 380 A CB -0.605 18.352 19.000 -0.072 0.000 0.822 380 A HN 0.689 nan 8.150 nan 0.000 0.443 381 K N -1.802 118.478 120.400 -0.200 0.000 2.097 381 K HA -0.160 4.219 4.320 0.097 0.000 0.206 381 K C 0.986 177.415 176.600 -0.285 0.000 1.049 381 K CA 1.504 57.578 56.287 -0.354 0.000 0.933 381 K CB -0.156 31.930 32.500 -0.689 0.000 0.717 381 K HN 0.677 nan 8.250 nan 0.000 0.442 382 W N 1.004 122.329 121.300 0.040 0.000 3.123 382 W HA 0.217 4.936 4.660 0.100 0.000 0.383 382 W C -0.011 176.522 176.519 0.022 0.000 1.102 382 W CA -0.523 56.845 57.345 0.039 0.000 1.865 382 W CB -0.724 28.762 29.460 0.045 0.000 1.111 382 W HN 0.231 nan 8.180 nan 0.000 0.621 383 N N 1.176 119.969 118.700 0.154 0.000 2.738 383 N HA -0.208 4.590 4.740 0.097 0.000 0.249 383 N C 0.389 175.954 175.510 0.091 0.000 1.047 383 N CA 1.586 54.692 53.050 0.093 0.000 0.707 383 N CB -1.131 37.407 38.487 0.084 0.000 0.937 383 N HN 0.128 nan 8.380 nan 0.000 0.545 384 T N -4.110 110.500 114.554 0.093 0.000 3.132 384 T HA 0.254 4.662 4.350 0.097 0.000 0.274 384 T C 1.155 175.872 174.700 0.030 0.000 1.011 384 T CA 0.103 62.248 62.100 0.075 0.000 0.899 384 T CB 0.152 69.089 68.868 0.115 0.000 1.089 384 T HN 0.302 nan 8.240 nan 0.000 0.543 385 E N 1.572 121.774 120.200 0.004 0.000 2.118 385 E HA -0.141 4.268 4.350 0.097 0.000 0.195 385 E C 0.846 177.426 176.600 -0.033 0.000 0.992 385 E CA 1.405 57.785 56.400 -0.033 0.000 0.804 385 E CB -0.074 29.599 29.700 -0.045 0.000 0.741 385 E HN 0.502 nan 8.360 nan 0.000 0.458 386 D N -0.874 119.518 120.400 -0.012 0.000 2.368 386 D HA 0.067 4.766 4.640 0.097 0.000 0.218 386 D C 0.487 176.789 176.300 0.004 0.000 1.112 386 D CA 0.221 54.215 54.000 -0.010 0.000 0.834 386 D CB 0.410 41.206 40.800 -0.007 0.000 0.953 386 D HN -0.050 nan 8.370 nan 0.000 0.505 387 K N -0.152 120.257 120.400 0.015 0.000 2.374 387 K HA 0.167 4.545 4.320 0.097 0.000 0.202 387 K C 0.049 176.670 176.600 0.035 0.000 1.040 387 K CA 0.008 56.312 56.287 0.027 0.000 1.085 387 K CB 1.622 34.145 32.500 0.039 0.000 0.873 387 K HN 0.033 nan 8.250 nan 0.000 0.539 388 V N -3.288 116.643 119.914 0.027 0.000 3.113 388 V HA 0.346 4.524 4.120 0.097 0.000 0.316 388 V C 1.025 177.132 176.094 0.021 0.000 1.125 388 V CA -0.789 61.534 62.300 0.038 0.000 1.026 388 V CB 1.942 33.796 31.823 0.052 0.000 1.080 388 V HN -0.076 nan 8.190 nan 0.000 0.444 389 S N 0.124 115.850 115.700 0.042 0.000 2.368 389 S HA -0.022 4.506 4.470 0.097 0.000 0.224 389 S C 0.442 175.043 174.600 0.002 0.000 1.029 389 S CA 1.929 60.159 58.200 0.049 0.000 0.988 389 S CB -0.438 62.824 63.200 0.104 0.000 0.838 389 S HN 1.075 nan 8.310 nan 0.000 0.462 390 H N -0.579 118.370 119.070 -0.201 0.000 3.042 390 H HA 0.506 5.120 4.556 0.097 0.000 0.345 390 H C -1.804 173.366 175.328 -0.263 0.000 1.052 390 H CA -0.536 55.257 56.048 -0.424 0.000 1.311 390 H CB 1.151 30.235 29.762 -1.130 0.000 1.810 390 H HN -0.098 nan 8.280 nan 0.000 0.505 391 V N 4.409 123.934 119.914 -0.647 0.000 2.328 391 V HA 0.356 4.534 4.120 0.097 0.000 0.278 391 V C 0.255 175.951 176.094 -0.664 0.000 1.021 391 V CA -0.510 61.512 62.300 -0.463 0.000 0.838 391 V CB 1.064 32.720 31.823 -0.279 0.000 0.999 391 V HN 0.799 nan 8.190 nan 0.000 0.447 392 S N 2.951 118.447 115.700 -0.340 0.000 2.578 392 S HA 0.280 4.809 4.470 0.097 0.000 0.283 392 S C 1.390 176.030 174.600 0.066 0.000 1.195 392 S CA 0.118 58.288 58.200 -0.049 0.000 1.050 392 S CB 1.480 64.924 63.200 0.407 0.000 1.012 392 S HN 0.985 nan 8.310 nan 0.000 0.511 393 T N 1.459 116.111 114.554 0.163 0.000 3.118 393 T HA 0.234 4.642 4.350 0.097 0.000 0.260 393 T C 0.790 175.645 174.700 0.258 0.000 1.139 393 T CA 0.249 62.465 62.100 0.194 0.000 1.085 393 T CB -0.339 68.656 68.868 0.211 0.000 0.934 393 T HN 0.621 nan 8.240 nan 0.000 0.518 394 G N -0.792 108.242 108.800 0.390 0.000 2.379 394 G HA2 0.591 4.609 3.960 0.097 0.000 0.327 394 G HA3 0.591 4.609 3.960 0.097 0.000 0.327 394 G C 0.429 175.365 174.900 0.060 0.000 1.145 394 G CA -0.349 44.834 45.100 0.138 0.000 0.905 394 G HN 0.302 nan 8.290 nan 0.000 0.466 395 G N 1.171 109.930 108.800 -0.069 0.000 2.534 395 G HA2 0.352 4.371 3.960 0.097 0.000 0.224 395 G HA3 0.352 4.371 3.960 0.097 0.000 0.224 395 G C 1.624 176.427 174.900 -0.161 0.000 1.822 395 G CA 0.868 45.930 45.100 -0.063 0.000 0.805 395 G HN 0.929 nan 8.290 nan 0.000 0.649 396 G N 1.074 109.744 108.800 -0.217 0.000 2.450 396 G HA2 0.060 4.078 3.960 0.097 0.000 0.220 396 G HA3 0.060 4.078 3.960 0.097 0.000 0.220 396 G C 1.978 176.446 174.900 -0.721 0.000 1.130 396 G CA 1.793 46.694 45.100 -0.332 0.000 0.760 396 G HN 0.736 nan 8.290 nan 0.000 0.557 397 A N 0.786 122.957 122.820 -1.082 0.000 1.908 397 A HA -0.006 4.372 4.320 0.097 0.000 0.218 397 A C 2.707 179.941 177.584 -0.583 0.000 1.181 397 A CA 2.286 53.727 52.037 -0.993 0.000 0.627 397 A CB -0.569 17.821 19.000 -1.016 0.000 0.818 397 A HN 0.316 nan 8.150 nan 0.000 0.445 398 S N -0.198 115.250 115.700 -0.420 0.000 2.387 398 S HA -0.019 4.509 4.470 0.097 0.000 0.226 398 S C 1.789 176.212 174.600 -0.296 0.000 1.026 398 S CA 1.227 59.191 58.200 -0.394 0.000 0.972 398 S CB -0.397 62.697 63.200 -0.176 0.000 0.814 398 S HN 0.512 nan 8.310 nan 0.000 0.477 399 L N 1.388 122.494 121.223 -0.195 0.000 2.083 399 L HA -0.101 4.297 4.340 0.097 0.000 0.209 399 L C 2.524 179.324 176.870 -0.116 0.000 1.083 399 L CA 1.197 55.969 54.840 -0.113 0.000 0.752 399 L CB -0.609 41.403 42.059 -0.078 0.000 0.899 399 L HN 0.346 nan 8.230 nan 0.000 0.433 400 E N 0.234 120.338 120.200 -0.160 0.000 2.110 400 E HA -0.194 4.215 4.350 0.097 0.000 0.193 400 E C 2.380 178.925 176.600 -0.092 0.000 0.988 400 E CA 0.914 57.250 56.400 -0.107 0.000 0.804 400 E CB -0.087 29.558 29.700 -0.092 0.000 0.745 400 E HN 0.495 nan 8.360 nan 0.000 0.458 401 L N 0.599 121.737 121.223 -0.142 0.000 2.017 401 L HA -0.209 4.189 4.340 0.097 0.000 0.208 401 L C 2.600 179.445 176.870 -0.042 0.000 1.073 401 L CA 0.579 55.357 54.840 -0.103 0.000 0.745 401 L CB -0.372 41.564 42.059 -0.205 0.000 0.894 401 L HN 0.202 nan 8.230 nan 0.000 0.432 402 L N 0.196 121.391 121.223 -0.046 0.000 2.079 402 L HA -0.234 4.164 4.340 0.097 0.000 0.210 402 L C 2.313 179.199 176.870 0.027 0.000 1.081 402 L CA 1.783 56.648 54.840 0.042 0.000 0.752 402 L CB -0.587 41.497 42.059 0.042 0.000 0.896 402 L HN 0.241 nan 8.230 nan 0.000 0.433 403 E N -0.464 119.733 120.200 -0.006 0.000 2.265 403 E HA -0.030 4.379 4.350 0.097 0.000 0.196 403 E C 1.306 177.913 176.600 0.011 0.000 0.996 403 E CA 0.696 57.095 56.400 -0.002 0.000 0.832 403 E CB -0.248 29.445 29.700 -0.012 0.000 0.756 403 E HN 0.695 nan 8.360 nan 0.000 0.491 404 G N 1.466 110.276 108.800 0.016 0.000 2.131 404 G HA2 -0.235 3.784 3.960 0.097 0.000 0.201 404 G HA3 -0.235 3.784 3.960 0.097 0.000 0.201 404 G C -0.155 174.755 174.900 0.016 0.000 1.000 404 G CA -0.102 45.012 45.100 0.024 0.000 0.680 404 G HN 0.106 nan 8.290 nan 0.000 0.514 405 K N -0.321 120.084 120.400 0.007 0.000 2.087 405 K HA 0.643 5.022 4.320 0.097 0.000 0.255 405 K C 0.363 176.970 176.600 0.012 0.000 0.988 405 K CA -0.826 55.465 56.287 0.006 0.000 0.915 405 K CB 2.124 34.622 32.500 -0.003 0.000 1.043 405 K HN 0.004 nan 8.250 nan 0.000 0.457 406 V N 3.761 123.684 119.914 0.014 0.000 2.432 406 V HA 0.121 4.299 4.120 0.097 0.000 0.271 406 V C 0.076 176.179 176.094 0.015 0.000 1.046 406 V CA -0.550 61.762 62.300 0.021 0.000 0.945 406 V CB 0.343 32.179 31.823 0.021 0.000 0.992 406 V HN 0.526 nan 8.190 nan 0.000 0.471 407 L N 7.887 129.122 121.223 0.020 0.000 2.416 407 L HA 0.182 4.580 4.340 0.097 0.000 0.272 407 L C -1.183 175.693 176.870 0.010 0.000 1.161 407 L CA -1.297 53.549 54.840 0.009 0.000 0.845 407 L CB 0.577 42.639 42.059 0.004 0.000 1.119 407 L HN 0.428 nan 8.230 nan 0.000 0.464 408 P HA -0.162 nan 4.420 nan 0.000 0.216 408 P C 1.423 178.727 177.300 0.007 0.000 1.153 408 P CA 1.328 64.423 63.100 -0.008 0.000 0.858 408 P CB 0.188 31.867 31.700 -0.035 0.000 0.789 409 G N -0.844 107.961 108.800 0.007 0.000 2.471 409 G HA2 -0.169 3.849 3.960 0.097 0.000 0.219 409 G HA3 -0.169 3.849 3.960 0.097 0.000 0.219 409 G C 1.499 176.438 174.900 0.066 0.000 1.125 409 G CA 0.475 45.599 45.100 0.041 0.000 0.775 409 G HN 0.182 nan 8.290 nan 0.000 0.548 410 V N 0.875 120.825 119.914 0.059 0.000 2.346 410 V HA -0.095 4.084 4.120 0.097 0.000 0.244 410 V C 2.387 178.512 176.094 0.052 0.000 1.037 410 V CA 1.961 64.301 62.300 0.067 0.000 1.029 410 V CB -0.319 31.550 31.823 0.076 0.000 0.663 410 V HN 0.425 nan 8.190 nan 0.000 0.454 411 D N 0.893 121.316 120.400 0.038 0.000 2.158 411 D HA -0.187 4.511 4.640 0.097 0.000 0.197 411 D C 1.923 178.239 176.300 0.027 0.000 0.995 411 D CA 1.539 55.556 54.000 0.028 0.000 0.846 411 D CB -0.088 40.722 40.800 0.018 0.000 0.941 411 D HN 0.399 nan 8.370 nan 0.000 0.456 412 A N -0.333 122.505 122.820 0.031 0.000 2.206 412 A HA 0.138 4.516 4.320 0.097 0.000 0.211 412 A C 1.008 178.615 177.584 0.038 0.000 1.158 412 A CA 0.018 52.068 52.037 0.022 0.000 0.761 412 A CB -0.434 18.574 19.000 0.014 0.000 0.801 412 A HN 0.285 nan 8.150 nan 0.000 0.473 413 L N 0.517 121.778 121.223 0.063 0.000 2.473 413 L HA 0.098 4.497 4.340 0.097 0.000 0.268 413 L C 0.581 177.479 176.870 0.048 0.000 1.215 413 L CA -0.490 54.396 54.840 0.077 0.000 0.823 413 L CB 0.534 42.637 42.059 0.074 0.000 1.099 413 L HN 0.088 nan 8.230 nan 0.000 0.483 414 S N 1.385 117.115 115.700 0.049 0.000 2.537 414 S HA 0.058 4.586 4.470 0.097 0.000 0.286 414 S C 0.034 174.650 174.600 0.028 0.000 1.299 414 S CA -0.650 57.569 58.200 0.032 0.000 1.067 414 S CB 0.052 63.273 63.200 0.033 0.000 0.864 414 S HN 0.447 nan 8.310 nan 0.000 0.494 415 N N 2.505 121.218 118.700 0.021 0.000 2.508 415 N HA 0.206 5.004 4.740 0.097 0.000 0.264 415 N C 0.506 176.027 175.510 0.019 0.000 1.216 415 N CA -0.267 52.795 53.050 0.019 0.000 0.943 415 N CB 0.241 38.737 38.487 0.015 0.000 1.113 415 N HN 0.403 nan 8.380 nan 0.000 0.447 416 I N 0.000 120.581 120.570 0.019 0.000 2.984 416 I HA 0.000 4.228 4.170 0.097 0.000 0.288 416 I CA 0.000 61.311 61.300 0.018 0.000 1.566 416 I CB 0.000 38.011 38.000 0.018 0.000 1.214 416 I HN 0.000 nan 8.210 nan 0.000 0.494