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 7ahl_1_C DATA FIRST_RESID 1 DATA SEQUENCE ADSDINIKTG TTDIGSNTTV KTGDLVTYDK ENGMHKKVFY SFIDDKNHNK DATA SEQUENCE KLLVIRTKGT IAGQYRVYSE EGANKSGLAW PSAFKVQLQL PDNEVAQISD DATA SEQUENCE YYPRNSIDTK EYMSTLTYGF NGNVTGDDTG KIGGLIGANV SIGHTLKYVQ DATA SEQUENCE PDFKTILESP TDKKVGWKVI FNNMVNQNWG PYDRDSWNPV YGNQLFMKTR DATA SEQUENCE NGSMKAADNF LDPNKASSLL SSGFSPDFAT VITMDRKASK QQTNIDVIYE DATA SEQUENCE RVRDDYQLHW TSTNWKGTNT KDKWTDRSSE RYKIDWEKEE MTN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.589 177.584 0.008 0.000 1.274 1 A CA 0.000 52.042 52.037 0.009 0.000 0.836 1 A CB 0.000 19.004 19.000 0.007 0.000 0.831 2 D N -0.272 120.131 120.400 0.006 0.000 2.178 2 D HA -0.196 nan 4.640 nan 0.000 0.201 2 D C 1.642 177.945 176.300 0.006 0.000 0.980 2 D CA 3.001 57.005 54.000 0.006 0.000 0.842 2 D CB -0.146 40.656 40.800 0.004 0.000 0.948 2 D HN 0.272 8.645 8.370 0.004 0.000 0.472 3 S N -2.296 113.407 115.700 0.006 0.000 2.428 3 S HA -0.184 nan 4.470 nan 0.000 0.230 3 S C 2.046 176.650 174.600 0.007 0.000 1.014 3 S CA 2.399 60.602 58.200 0.006 0.000 0.957 3 S CB -0.252 62.952 63.200 0.005 0.000 0.784 3 S HN 0.087 8.379 8.310 0.005 0.021 0.499 4 D N 2.330 122.735 120.400 0.008 0.000 2.269 4 D HA -0.110 nan 4.640 nan 0.000 0.208 4 D C 0.527 176.832 176.300 0.008 0.000 0.963 4 D CA 2.590 56.596 54.000 0.009 0.000 0.864 4 D CB 0.265 41.072 40.800 0.011 0.000 0.936 4 D HN -0.496 7.749 8.370 0.008 0.130 0.505 5 I N -7.106 113.469 120.570 0.008 0.000 3.805 5 I HA 0.235 nan 4.170 nan 0.000 0.337 5 I C -1.020 175.102 176.117 0.007 0.000 1.539 5 I CA -1.075 60.230 61.300 0.008 0.000 1.176 5 I CB -0.774 37.231 38.000 0.008 0.000 1.248 5 I HN -0.833 7.245 8.210 0.008 0.137 0.437 6 N N -1.719 116.985 118.700 0.007 0.000 2.714 6 N HA -0.395 nan 4.740 nan 0.000 0.250 6 N C -0.752 174.761 175.510 0.006 0.000 1.117 6 N CA 1.633 54.686 53.050 0.006 0.000 0.719 6 N CB -1.213 37.277 38.487 0.006 0.000 1.081 6 N HN -0.432 7.790 8.380 0.007 0.162 0.557 7 I N -2.593 117.980 120.570 0.006 0.000 2.562 7 I HA 0.074 nan 4.170 nan 0.000 0.301 7 I C -1.065 175.056 176.117 0.005 0.000 1.003 7 I CA -1.584 59.720 61.300 0.006 0.000 1.127 7 I CB 1.963 39.967 38.000 0.007 0.000 1.304 7 I HN -0.120 8.063 8.210 0.006 0.030 0.446 8 K N 5.521 125.924 120.400 0.005 0.000 2.436 8 K HA -0.078 nan 4.320 nan 0.000 0.282 8 K C 0.111 176.713 176.600 0.004 0.000 1.044 8 K CA 0.564 56.854 56.287 0.004 0.000 1.028 8 K CB 0.577 33.080 32.500 0.005 0.000 0.919 8 K HN 0.177 8.431 8.250 0.006 0.000 0.474 9 T N 6.109 120.664 114.554 0.003 0.000 2.849 9 T HA -0.234 nan 4.350 nan 0.000 0.289 9 T C 1.026 175.726 174.700 0.001 0.000 1.010 9 T CA 2.122 64.223 62.100 0.001 0.000 1.161 9 T CB -0.823 68.045 68.868 0.000 0.000 0.989 9 T HN 0.472 8.714 8.240 0.003 0.000 0.523 10 G N 7.127 115.927 108.800 -0.000 0.000 2.175 10 G HA2 -0.334 nan 3.960 nan 0.000 0.244 10 G HA3 -0.334 nan 3.960 nan 0.000 0.244 10 G C 1.029 175.931 174.900 0.003 0.000 0.982 10 G CA 0.834 45.933 45.100 -0.001 0.000 0.641 10 G HN 0.138 8.663 8.290 -0.000 -0.235 0.527 11 T N 3.277 117.834 114.554 0.006 0.000 2.788 11 T HA -0.245 nan 4.350 nan 0.000 0.268 11 T C 1.395 176.103 174.700 0.013 0.000 1.044 11 T CA 3.590 65.695 62.100 0.009 0.000 1.139 11 T CB -0.304 68.569 68.868 0.009 0.000 0.867 11 T HN 0.120 8.302 8.240 0.005 0.061 0.454 12 T N -5.391 109.171 114.554 0.013 0.000 3.086 12 T HA 0.233 nan 4.350 nan 0.000 0.250 12 T C 0.049 174.760 174.700 0.019 0.000 1.074 12 T CA -0.829 61.282 62.100 0.020 0.000 0.988 12 T CB -0.258 68.621 68.868 0.019 0.000 0.988 12 T HN 0.124 8.351 8.240 0.009 0.019 0.530 13 D N 3.316 123.720 120.400 0.007 0.000 2.313 13 D HA 0.128 nan 4.640 nan 0.000 0.247 13 D C -0.102 176.193 176.300 -0.009 0.000 1.094 13 D CA 0.128 54.125 54.000 -0.005 0.000 0.925 13 D CB 0.959 41.751 40.800 -0.013 0.000 1.188 13 D HN -0.521 7.795 8.370 0.006 0.057 0.430 14 I N -0.618 119.929 120.570 -0.039 0.000 2.612 14 I HA -0.035 nan 4.170 nan 0.000 0.295 14 I C 0.874 176.962 176.117 -0.049 0.000 1.011 14 I CA 0.507 61.765 61.300 -0.071 0.000 1.326 14 I CB 1.038 38.919 38.000 -0.198 0.000 1.427 14 I HN 0.011 8.192 8.210 -0.049 0.000 0.537 15 G N 3.972 112.752 108.800 -0.033 0.000 2.211 15 G HA2 -0.254 nan 3.960 nan 0.000 0.201 15 G HA3 -0.254 nan 3.960 nan 0.000 0.201 15 G C -0.912 173.991 174.900 0.005 0.000 0.997 15 G CA -0.337 44.756 45.100 -0.011 0.000 0.652 15 G HN 0.225 8.788 8.290 -0.030 -0.291 0.500 16 S N 1.785 117.490 115.700 0.008 0.000 2.549 16 S HA -0.102 nan 4.470 nan 0.000 0.279 16 S C 0.119 174.729 174.600 0.018 0.000 1.321 16 S CA 0.145 58.352 58.200 0.012 0.000 1.054 16 S CB 0.358 63.565 63.200 0.012 0.000 0.899 16 S HN -0.275 8.038 8.310 0.006 0.000 0.497 17 N N 3.197 121.907 118.700 0.017 0.000 2.714 17 N HA -0.282 nan 4.740 nan 0.000 0.253 17 N C -1.342 174.183 175.510 0.024 0.000 1.024 17 N CA 0.792 53.853 53.050 0.019 0.000 0.726 17 N CB -0.114 38.384 38.487 0.018 0.000 0.908 17 N HN 0.384 8.773 8.380 0.014 0.000 0.542 18 T N -0.909 113.661 114.554 0.026 0.000 2.921 18 T HA 0.242 nan 4.350 nan 0.000 0.297 18 T C -0.678 174.042 174.700 0.034 0.000 1.013 18 T CA -0.396 61.724 62.100 0.034 0.000 0.990 18 T CB 2.821 71.712 68.868 0.038 0.000 1.023 18 T HN -0.268 7.986 8.240 0.023 0.000 0.447 19 T N 7.112 121.688 114.554 0.037 0.000 2.723 19 T HA 0.168 nan 4.350 nan 0.000 0.297 19 T C -0.339 174.390 174.700 0.048 0.000 0.925 19 T CA 0.198 62.319 62.100 0.035 0.000 1.030 19 T CB 0.082 68.967 68.868 0.028 0.000 0.905 19 T HN 0.278 8.541 8.240 0.039 0.000 0.502 20 V N 6.185 126.128 119.914 0.049 0.000 2.465 20 V HA 0.086 nan 4.120 nan 0.000 0.279 20 V C -0.482 175.651 176.094 0.064 0.000 1.045 20 V CA -0.758 61.581 62.300 0.066 0.000 0.938 20 V CB 0.476 32.331 31.823 0.053 0.000 0.986 20 V HN 0.381 8.595 8.190 0.040 0.000 0.467 21 K N 7.170 127.633 120.400 0.105 0.000 2.240 21 K HA 0.474 nan 4.320 nan 0.000 0.271 21 K C -0.913 175.743 176.600 0.092 0.000 1.018 21 K CA -1.606 54.741 56.287 0.100 0.000 0.874 21 K CB 0.658 33.225 32.500 0.112 0.000 1.098 21 K HN -0.044 8.298 8.250 0.154 0.000 0.458 22 T N -2.099 112.413 114.554 -0.070 0.000 2.940 22 T HA 0.810 nan 4.350 nan 0.000 0.288 22 T C -0.956 173.347 174.700 -0.662 0.000 1.045 22 T CA -3.001 58.870 62.100 -0.381 0.000 1.018 22 T CB 3.023 71.744 68.868 -0.245 0.000 1.151 22 T HN 0.301 8.516 8.240 -0.041 0.000 0.529 23 G N -2.099 105.938 108.800 -1.272 0.000 2.601 23 G HA2 0.144 nan 3.960 nan 0.000 0.291 23 G HA3 0.144 nan 3.960 nan 0.000 0.291 23 G C -3.225 171.306 174.900 -0.616 0.000 1.456 23 G CA 0.406 44.862 45.100 -1.073 0.000 0.804 23 G HN -0.007 7.362 8.290 -1.535 0.000 0.499 24 D N 0.411 120.716 120.400 -0.159 0.000 2.502 24 D HA 0.721 nan 4.640 nan 0.000 0.249 24 D C -0.994 175.358 176.300 0.086 0.000 1.092 24 D CA -0.204 53.820 54.000 0.039 0.000 0.839 24 D CB 2.949 43.793 40.800 0.074 0.000 1.264 24 D HN 0.042 8.345 8.370 -0.112 0.000 0.511 25 L N 5.329 126.617 121.223 0.107 0.000 2.372 25 L HA 0.382 nan 4.340 nan 0.000 0.273 25 L C -1.845 175.083 176.870 0.096 0.000 0.989 25 L CA -0.650 54.274 54.840 0.139 0.000 0.841 25 L CB 2.166 44.346 42.059 0.203 0.000 1.225 25 L HN 0.708 8.992 8.230 0.091 0.000 0.414 26 V N 4.145 124.110 119.914 0.084 0.000 2.555 26 V HA 0.579 nan 4.120 nan 0.000 0.302 26 V C -0.457 175.677 176.094 0.067 0.000 1.038 26 V CA -0.777 61.548 62.300 0.041 0.000 0.887 26 V CB 2.110 33.977 31.823 0.074 0.000 0.991 26 V HN 0.199 8.447 8.190 0.097 0.000 0.434 27 T N 7.406 121.980 114.554 0.033 0.000 2.916 27 T HA 0.359 nan 4.350 nan 0.000 0.305 27 T C -2.802 171.969 174.700 0.119 0.000 1.119 27 T CA -0.410 61.725 62.100 0.058 0.000 1.008 27 T CB 3.208 72.077 68.868 0.001 0.000 1.129 27 T HN 0.643 8.852 8.240 -0.051 0.000 0.480 28 Y N 4.014 124.329 120.300 0.025 0.000 2.338 28 Y HA 0.440 nan 4.550 nan 0.000 0.333 28 Y C -2.088 173.819 175.900 0.012 0.000 0.968 28 Y CA -2.034 56.095 58.100 0.048 0.000 1.123 28 Y CB 2.330 40.840 38.460 0.084 0.000 1.165 28 Y HN 0.214 8.593 8.280 0.165 0.000 0.452 29 D N 8.292 128.261 120.400 -0.719 0.000 2.396 29 D HA 0.258 nan 4.640 nan 0.000 0.225 29 D C 0.170 175.967 176.300 -0.839 0.000 1.121 29 D CA -1.900 51.763 54.000 -0.562 0.000 0.853 29 D CB 0.828 41.451 40.800 -0.296 0.000 1.043 29 D HN 0.405 8.412 8.370 -0.605 0.000 0.500 30 K N 5.376 125.416 120.400 -0.599 0.000 2.062 30 K HA -0.211 nan 4.320 nan 0.000 0.205 30 K C 2.348 178.854 176.600 -0.157 0.000 1.051 30 K CA 2.792 58.894 56.287 -0.308 0.000 0.941 30 K CB -0.181 32.292 32.500 -0.045 0.000 0.719 30 K HN 0.353 8.358 8.250 -0.409 0.000 0.440 31 E N -1.356 118.763 120.200 -0.136 0.000 2.077 31 E HA -0.220 nan 4.350 nan 0.000 0.193 31 E C 0.960 177.512 176.600 -0.079 0.000 0.989 31 E CA 2.136 58.487 56.400 -0.082 0.000 0.800 31 E CB -0.431 29.229 29.700 -0.066 0.000 0.746 31 E HN -0.202 8.155 8.360 -0.155 -0.090 0.452 32 N N -2.635 116.003 118.700 -0.104 0.000 2.235 32 N HA 0.138 nan 4.740 nan 0.000 0.209 32 N C -0.289 175.202 175.510 -0.031 0.000 1.122 32 N CA -0.495 52.523 53.050 -0.055 0.000 0.845 32 N CB 1.195 39.666 38.487 -0.027 0.000 1.004 32 N HN -0.523 8.050 8.380 -0.152 -0.284 0.499 33 G N 0.125 108.883 108.800 -0.069 0.000 2.386 33 G HA2 -0.495 nan 3.960 nan 0.000 0.295 33 G HA3 -0.495 nan 3.960 nan 0.000 0.295 33 G C -1.747 173.216 174.900 0.104 0.000 0.979 33 G CA 1.130 46.257 45.100 0.045 0.000 1.193 33 G HN -0.556 7.484 8.290 -0.130 0.172 0.508 34 M N -0.530 119.059 119.600 -0.017 0.000 2.213 34 M HA 0.325 nan 4.480 nan 0.000 0.286 34 M C -2.129 174.267 176.300 0.159 0.000 1.008 34 M CA -0.544 54.812 55.300 0.092 0.000 0.937 34 M CB 4.001 36.624 32.600 0.038 0.000 1.600 34 M HN -0.178 7.925 8.290 -0.311 0.000 0.450 35 H N 5.421 124.615 119.070 0.206 0.000 2.705 35 H HA 0.336 nan 4.556 nan 0.000 0.291 35 H C -1.590 173.731 175.328 -0.011 0.000 1.085 35 H CA -1.192 54.982 56.048 0.210 0.000 1.357 35 H CB 1.687 31.525 29.762 0.127 0.000 1.419 35 H HN 0.744 9.236 8.280 0.354 0.000 0.462 36 K N 8.261 128.427 120.400 -0.390 0.000 2.339 36 K HA 0.350 nan 4.320 nan 0.000 0.264 36 K C -2.082 174.275 176.600 -0.405 0.000 0.986 36 K CA -1.516 54.434 56.287 -0.563 0.000 0.866 36 K CB 1.738 33.777 32.500 -0.768 0.000 1.103 36 K HN 0.793 8.921 8.250 -0.204 0.000 0.441 37 K N 4.755 124.980 120.400 -0.293 0.000 2.413 37 K HA 0.586 nan 4.320 nan 0.000 0.257 37 K C -2.230 174.360 176.600 -0.016 0.000 0.946 37 K CA -1.390 54.804 56.287 -0.155 0.000 0.823 37 K CB 2.878 35.267 32.500 -0.184 0.000 1.109 37 K HN -0.098 8.020 8.250 -0.219 0.000 0.427 38 V N 7.099 127.017 119.914 0.007 0.000 2.370 38 V HA 0.623 nan 4.120 nan 0.000 0.283 38 V C -1.978 174.164 176.094 0.080 0.000 1.023 38 V CA -0.822 61.481 62.300 0.004 0.000 0.857 38 V CB 1.577 33.283 31.823 -0.194 0.000 0.985 38 V HN 0.924 9.009 8.190 0.005 0.109 0.443 39 F N 10.367 130.284 119.950 -0.056 0.000 2.375 39 F HA 0.722 nan 4.527 nan 0.000 0.361 39 F C -2.623 173.148 175.800 -0.048 0.000 1.117 39 F CA -2.922 55.022 58.000 -0.093 0.000 1.037 39 F CB 2.668 41.607 39.000 -0.103 0.000 1.192 39 F HN 0.852 9.142 8.300 0.163 0.108 0.452 40 Y N 4.927 124.795 120.300 -0.720 0.000 2.487 40 Y HA 0.769 nan 4.550 nan 0.000 0.337 40 Y C -2.248 173.196 175.900 -0.759 0.000 1.076 40 Y CA -3.394 54.320 58.100 -0.643 0.000 1.115 40 Y CB 2.378 40.568 38.460 -0.450 0.000 1.235 40 Y HN 0.613 8.390 8.280 -0.837 0.000 0.468 41 S N -0.213 115.298 115.700 -0.316 0.000 2.672 41 S HA 0.435 nan 4.470 nan 0.000 0.291 41 S C -1.882 172.631 174.600 -0.145 0.000 1.145 41 S CA -0.471 57.601 58.200 -0.213 0.000 1.013 41 S CB 2.353 65.437 63.200 -0.193 0.000 1.017 41 S HN 0.402 8.543 8.310 -0.281 0.000 0.487 42 F N 5.892 125.856 119.950 0.023 0.000 2.405 42 F HA 0.493 nan 4.527 nan 0.000 0.355 42 F C -1.078 174.749 175.800 0.046 0.000 1.121 42 F CA -0.178 57.841 58.000 0.032 0.000 1.112 42 F CB 1.846 40.857 39.000 0.018 0.000 1.126 42 F HN 0.862 9.358 8.300 0.327 0.000 0.481 43 I N 5.310 126.011 120.570 0.217 0.000 2.382 43 I HA 0.173 nan 4.170 nan 0.000 0.286 43 I C -1.934 174.282 176.117 0.166 0.000 1.002 43 I CA -0.768 60.616 61.300 0.140 0.000 1.135 43 I CB 2.012 40.042 38.000 0.050 0.000 1.288 43 I HN 0.503 8.830 8.210 0.195 0.000 0.448 44 D N 7.816 128.306 120.400 0.150 0.000 2.479 44 D HA 0.061 nan 4.640 nan 0.000 0.247 44 D C -1.740 174.620 176.300 0.100 0.000 1.119 44 D CA -1.873 52.213 54.000 0.143 0.000 0.922 44 D CB 0.516 41.400 40.800 0.139 0.000 1.014 44 D HN 0.299 8.748 8.370 0.132 0.000 0.510 45 D N 4.096 124.553 120.400 0.094 0.000 2.347 45 D HA 0.029 nan 4.640 nan 0.000 0.235 45 D C 0.462 176.826 176.300 0.107 0.000 1.149 45 D CA -0.962 53.088 54.000 0.083 0.000 0.850 45 D CB 1.134 41.969 40.800 0.058 0.000 1.061 45 D HN -0.166 8.265 8.370 0.101 0.000 0.487 46 K N 5.781 126.227 120.400 0.077 0.000 2.360 46 K HA -0.222 nan 4.320 nan 0.000 0.201 46 K C 0.934 177.571 176.600 0.062 0.000 1.046 46 K CA 1.643 57.969 56.287 0.064 0.000 0.945 46 K CB 0.021 32.548 32.500 0.045 0.000 0.750 46 K HN 0.468 8.756 8.250 0.064 0.000 0.464 47 N N -3.030 115.715 118.700 0.076 0.000 2.280 47 N HA 0.003 nan 4.740 nan 0.000 0.192 47 N C -0.816 174.753 175.510 0.099 0.000 1.109 47 N CA 0.430 53.521 53.050 0.068 0.000 0.855 47 N CB 0.832 39.354 38.487 0.059 0.000 0.974 47 N HN -0.618 8.033 8.380 0.081 -0.222 0.482 48 H N 1.358 120.436 119.070 0.014 0.000 2.499 48 H HA 0.260 nan 4.556 nan 0.000 0.340 48 H C 0.161 175.492 175.328 0.006 0.000 1.148 48 H CA -0.819 55.236 56.048 0.011 0.000 1.215 48 H CB 2.345 32.118 29.762 0.019 0.000 1.529 48 H HN -0.160 8.036 8.280 0.183 0.194 0.510 49 N N 4.690 123.139 118.700 -0.418 0.000 2.512 49 N HA -0.193 nan 4.740 nan 0.000 0.183 49 N C -0.452 174.975 175.510 -0.139 0.000 1.073 49 N CA 1.422 54.327 53.050 -0.242 0.000 0.911 49 N CB 0.113 38.450 38.487 -0.250 0.000 0.964 49 N HN 0.426 8.320 8.380 -0.810 0.000 0.447 50 K N -1.509 118.863 120.400 -0.046 0.000 2.466 50 K HA 0.221 nan 4.320 nan 0.000 0.260 50 K C -1.425 175.287 176.600 0.186 0.000 1.011 50 K CA -1.443 54.874 56.287 0.050 0.000 0.871 50 K CB 3.267 35.786 32.500 0.031 0.000 1.404 50 K HN -0.801 7.369 8.250 -0.054 0.047 0.450 51 K N -0.573 119.871 120.400 0.074 0.000 2.118 51 K HA 0.403 nan 4.320 nan 0.000 0.264 51 K C -0.693 176.033 176.600 0.210 0.000 1.000 51 K CA -0.356 56.034 56.287 0.171 0.000 0.929 51 K CB 1.490 34.112 32.500 0.204 0.000 1.021 51 K HN 0.269 8.491 8.250 -0.047 0.000 0.463 52 L N -1.472 119.933 121.223 0.303 0.000 2.371 52 L HA 0.869 nan 4.340 nan 0.000 0.262 52 L C -1.979 175.043 176.870 0.253 0.000 1.006 52 L CA -1.397 53.591 54.840 0.247 0.000 0.818 52 L CB 3.951 46.052 42.059 0.071 0.000 1.354 52 L HN 0.078 8.499 8.230 0.318 0.000 0.415 53 L N 2.361 123.652 121.223 0.114 0.000 2.439 53 L HA 0.626 nan 4.340 nan 0.000 0.270 53 L C -2.537 174.242 176.870 -0.152 0.000 0.972 53 L CA -0.819 53.847 54.840 -0.289 0.000 0.836 53 L CB 3.363 45.056 42.059 -0.609 0.000 1.255 53 L HN 0.209 8.545 8.230 0.177 0.000 0.404 54 V N 8.566 128.377 119.914 -0.172 0.000 2.347 54 V HA 0.577 nan 4.120 nan 0.000 0.280 54 V C -1.182 174.851 176.094 -0.100 0.000 1.021 54 V CA -1.140 61.118 62.300 -0.071 0.000 0.847 54 V CB 0.899 32.704 31.823 -0.030 0.000 0.990 54 V HN 0.837 8.889 8.190 -0.230 0.000 0.444 55 I N 8.514 129.064 120.570 -0.033 0.000 2.354 55 I HA 0.473 nan 4.170 nan 0.000 0.292 55 I C -1.543 174.609 176.117 0.057 0.000 0.989 55 I CA -0.846 60.439 61.300 -0.024 0.000 1.188 55 I CB 2.076 40.062 38.000 -0.024 0.000 1.342 55 I HN 0.654 8.876 8.210 0.020 0.000 0.457 56 R N 6.920 127.463 120.500 0.072 0.000 2.343 56 R HA 0.608 nan 4.340 nan 0.000 0.320 56 R C -1.013 175.330 176.300 0.071 0.000 0.956 56 R CA -1.460 54.699 56.100 0.098 0.000 0.836 56 R CB 1.945 32.352 30.300 0.179 0.000 1.151 56 R HN 0.867 9.057 8.270 0.046 0.108 0.450 57 T N 4.518 119.092 114.554 0.032 0.000 2.738 57 T HA 0.644 nan 4.350 nan 0.000 0.298 57 T C -0.612 174.048 174.700 -0.067 0.000 0.962 57 T CA -1.428 60.710 62.100 0.064 0.000 0.972 57 T CB -0.524 68.414 68.868 0.117 0.000 0.928 57 T HN 0.213 8.458 8.240 0.008 0.000 0.474 58 K N 5.269 125.663 120.400 -0.009 0.000 1.995 58 K HA 0.728 nan 4.320 nan 0.000 0.244 58 K C -0.319 176.254 176.600 -0.045 0.000 1.045 58 K CA -1.524 54.691 56.287 -0.121 0.000 0.905 58 K CB 3.355 35.768 32.500 -0.145 0.000 1.543 58 K HN 0.724 9.010 8.250 0.061 0.000 0.609 59 G N -1.631 107.101 108.800 -0.113 0.000 2.512 59 G HA2 -0.364 nan 3.960 nan 0.000 0.210 59 G HA3 -0.364 nan 3.960 nan 0.000 0.210 59 G C -1.903 172.981 174.900 -0.026 0.000 1.295 59 G CA -0.376 44.667 45.100 -0.095 0.000 0.934 59 G HN -0.155 8.052 8.290 -0.139 0.000 0.554 60 T N -0.173 114.427 114.554 0.076 0.000 3.097 60 T HA 0.366 nan 4.350 nan 0.000 0.332 60 T C -1.623 173.155 174.700 0.131 0.000 1.269 60 T CA -0.769 61.341 62.100 0.016 0.000 1.076 60 T CB 1.909 70.743 68.868 -0.057 0.000 1.209 60 T HN 0.224 8.447 8.240 0.142 0.102 0.474 61 I N 6.530 127.174 120.570 0.123 0.000 2.304 61 I HA 0.545 nan 4.170 nan 0.000 0.291 61 I C -1.051 175.190 176.117 0.206 0.000 1.018 61 I CA -1.284 60.162 61.300 0.243 0.000 1.260 61 I CB 0.974 39.213 38.000 0.398 0.000 1.390 61 I HN 0.425 8.642 8.210 0.012 0.000 0.475 62 A N 8.314 131.263 122.820 0.214 0.000 2.507 62 A HA -0.014 nan 4.320 nan 0.000 0.235 62 A C 0.676 178.429 177.584 0.281 0.000 1.070 62 A CA 0.626 52.777 52.037 0.190 0.000 0.768 62 A CB 0.392 19.489 19.000 0.162 0.000 1.011 62 A HN 0.235 8.516 8.150 0.218 0.000 0.502 63 G N -1.231 107.723 108.800 0.257 0.000 2.424 63 G HA2 -0.228 nan 3.960 nan 0.000 0.214 63 G HA3 -0.228 nan 3.960 nan 0.000 0.214 63 G C -0.181 174.866 174.900 0.246 0.000 1.202 63 G CA 0.768 46.073 45.100 0.341 0.000 0.793 63 G HN 0.039 8.313 8.290 0.181 0.125 0.534 64 Q N -4.022 115.887 119.800 0.183 0.000 2.493 64 Q HA -0.547 nan 4.340 nan 0.000 0.278 64 Q C -1.081 175.005 176.000 0.144 0.000 1.198 64 Q CA 0.121 56.001 55.803 0.129 0.000 0.880 64 Q CB -2.020 26.763 28.738 0.076 0.000 1.260 64 Q HN -0.464 7.907 8.270 0.168 0.000 0.470 65 Y N 0.071 120.385 120.300 0.023 0.000 2.697 65 Y HA -0.287 nan 4.550 nan 0.000 0.349 65 Y C -1.496 174.369 175.900 -0.057 0.000 1.120 65 Y CA 1.352 59.435 58.100 -0.028 0.000 1.468 65 Y CB -0.053 38.361 38.460 -0.078 0.000 1.182 65 Y HN -0.720 7.734 8.280 0.289 0.000 0.525 66 R N 7.593 128.003 120.500 -0.151 0.000 2.686 66 R HA 0.339 nan 4.340 nan 0.000 0.283 66 R C -1.962 174.212 176.300 -0.209 0.000 0.978 66 R CA -1.418 54.597 56.100 -0.142 0.000 0.897 66 R CB 4.365 34.637 30.300 -0.047 0.000 1.192 66 R HN 0.388 8.568 8.270 -0.150 0.000 0.457 67 V N 5.690 125.473 119.914 -0.218 0.000 2.153 67 V HA 0.107 nan 4.120 nan 0.000 0.250 67 V C 0.576 176.582 176.094 -0.147 0.000 1.334 67 V CA 0.201 62.346 62.300 -0.257 0.000 1.249 67 V CB -2.292 29.431 31.823 -0.167 0.000 1.371 67 V HN 0.616 8.710 8.190 -0.161 0.000 0.498 68 Y N 4.217 124.440 120.300 -0.128 0.000 2.242 68 Y HA -0.115 nan 4.550 nan 0.000 0.291 68 Y C -0.077 175.810 175.900 -0.022 0.000 1.137 68 Y CA 0.604 58.647 58.100 -0.095 0.000 1.181 68 Y CB 0.288 38.649 38.460 -0.166 0.000 0.989 68 Y HN -0.294 8.043 8.280 0.146 0.031 0.527 69 S N 0.469 115.585 115.700 -0.973 0.000 2.566 69 S HA 0.074 nan 4.470 nan 0.000 0.298 69 S C -1.422 173.020 174.600 -0.263 0.000 1.083 69 S CA -0.967 56.902 58.200 -0.551 0.000 0.978 69 S CB 2.822 65.646 63.200 -0.627 0.000 1.073 69 S HN -0.731 6.748 8.310 -1.385 0.000 0.491 70 E N 2.283 122.421 120.200 -0.104 0.000 2.466 70 E HA 0.083 nan 4.350 nan 0.000 0.308 70 E C -1.196 175.412 176.600 0.012 0.000 0.933 70 E CA -0.161 56.229 56.400 -0.017 0.000 0.800 70 E CB 1.532 31.232 29.700 0.000 0.000 1.434 70 E HN 0.437 8.746 8.360 -0.085 0.000 0.389 71 E N 6.729 126.950 120.200 0.035 0.000 2.206 71 E HA 0.175 nan 4.350 nan 0.000 0.244 71 E C -0.168 176.466 176.600 0.057 0.000 1.055 71 E CA -1.626 54.801 56.400 0.044 0.000 0.970 71 E CB -1.746 27.984 29.700 0.049 0.000 1.256 71 E HN 0.018 8.405 8.360 0.045 0.000 0.456 72 G N 1.363 110.193 108.800 0.050 0.000 2.728 72 G HA2 -0.326 nan 3.960 nan 0.000 0.294 72 G HA3 -0.326 nan 3.960 nan 0.000 0.294 72 G C -0.245 174.696 174.900 0.067 0.000 1.342 72 G CA -0.667 44.465 45.100 0.053 0.000 0.866 72 G HN -0.705 7.571 8.290 0.040 0.038 0.534 73 A N -1.872 120.985 122.820 0.061 0.000 2.235 73 A HA 0.009 nan 4.320 nan 0.000 0.208 73 A C 0.429 178.084 177.584 0.118 0.000 1.172 73 A CA 1.805 53.883 52.037 0.068 0.000 0.786 73 A CB -0.014 19.003 19.000 0.027 0.000 0.804 73 A HN 0.347 8.526 8.150 0.049 0.000 0.479 74 N N -4.003 114.781 118.700 0.139 0.000 2.227 74 N HA 0.033 nan 4.740 nan 0.000 0.196 74 N C -1.356 174.335 175.510 0.303 0.000 1.142 74 N CA 0.651 53.825 53.050 0.206 0.000 0.887 74 N CB 1.921 40.510 38.487 0.170 0.000 1.022 74 N HN 0.193 8.560 8.380 0.113 0.081 0.500 75 K N -0.928 119.610 120.400 0.229 0.000 2.501 75 K HA 0.379 nan 4.320 nan 0.000 0.252 75 K C -2.595 174.105 176.600 0.167 0.000 0.934 75 K CA -0.854 55.569 56.287 0.227 0.000 0.797 75 K CB 2.826 35.422 32.500 0.161 0.000 1.270 75 K HN -0.959 7.393 8.250 0.171 0.000 0.431 76 S N 4.051 119.862 115.700 0.185 0.000 2.533 76 S HA 0.490 nan 4.470 nan 0.000 0.271 76 S C -2.105 172.663 174.600 0.279 0.000 1.143 76 S CA -0.825 57.484 58.200 0.181 0.000 0.891 76 S CB 3.260 66.606 63.200 0.244 0.000 1.105 76 S HN 0.177 8.619 8.310 0.222 0.000 0.468 77 G N 1.617 110.437 108.800 0.032 0.000 2.453 77 G HA2 0.840 nan 3.960 nan 0.000 0.323 77 G HA3 0.840 nan 3.960 nan 0.000 0.323 77 G C -3.058 171.735 174.900 -0.179 0.000 1.198 77 G CA -1.559 43.550 45.100 0.015 0.000 0.959 77 G HN 0.527 8.585 8.290 -0.176 0.126 0.482 78 L N 1.010 122.273 121.223 0.066 0.000 2.381 78 L HA 0.785 nan 4.340 nan 0.000 0.274 78 L C -2.761 174.305 176.870 0.326 0.000 0.988 78 L CA -1.245 53.487 54.840 -0.180 0.000 0.824 78 L CB 4.101 45.592 42.059 -0.946 0.000 1.263 78 L HN 0.560 8.892 8.230 0.351 0.108 0.410 79 A N 6.115 129.083 122.820 0.246 0.000 2.274 79 A HA 0.801 nan 4.320 nan 0.000 0.309 79 A C -1.995 175.671 177.584 0.137 0.000 1.226 79 A CA -1.371 50.772 52.037 0.177 0.000 0.853 79 A CB 1.426 20.304 19.000 -0.203 0.000 1.146 79 A HN 1.134 9.287 8.150 0.175 0.102 0.518 80 W N 0.181 121.489 121.300 0.015 0.000 3.032 80 W HA 0.617 nan 4.660 nan 0.000 0.335 80 W C -3.289 173.255 176.519 0.043 0.000 1.154 80 W CA -3.625 53.719 57.345 -0.002 0.000 1.204 80 W CB 1.559 30.950 29.460 -0.115 0.000 1.416 80 W HN 0.356 8.517 8.180 -0.032 0.000 0.521 81 P HA 0.225 nan 4.420 nan 0.000 0.276 81 P C -1.438 175.769 177.300 -0.154 0.000 1.264 81 P CA -0.259 62.755 63.100 -0.143 0.000 0.769 81 P CB 0.208 31.822 31.700 -0.144 0.000 0.840 82 S N 4.375 119.814 115.700 -0.435 0.000 2.503 82 S HA 0.078 nan 4.470 nan 0.000 0.215 82 S C -0.984 173.592 174.600 -0.041 0.000 1.003 82 S CA 0.270 58.289 58.200 -0.301 0.000 0.910 82 S CB 1.091 63.954 63.200 -0.561 0.000 0.790 82 S HN 0.715 8.632 8.310 -0.487 0.100 0.514 83 A N -0.032 122.668 122.820 -0.199 0.000 2.566 83 A HA 0.613 nan 4.320 nan 0.000 0.297 83 A C -2.861 174.529 177.584 -0.324 0.000 1.059 83 A CA 0.430 52.388 52.037 -0.132 0.000 0.691 83 A CB 2.543 21.519 19.000 -0.040 0.000 1.282 83 A HN -0.612 7.337 8.150 -0.334 0.000 0.401 84 F N 0.867 120.866 119.950 0.081 0.000 2.467 84 F HA 0.669 nan 4.527 nan 0.000 0.336 84 F C -1.292 174.558 175.800 0.082 0.000 1.123 84 F CA -1.363 56.672 58.000 0.058 0.000 0.964 84 F CB 3.290 42.240 39.000 -0.084 0.000 1.136 84 F HN 0.637 8.905 8.300 0.132 0.112 0.447 85 K N 2.357 122.926 120.400 0.281 0.000 2.422 85 K HA 0.830 nan 4.320 nan 0.000 0.251 85 K C -2.099 174.611 176.600 0.183 0.000 0.933 85 K CA -1.065 55.349 56.287 0.213 0.000 0.798 85 K CB 4.016 36.595 32.500 0.132 0.000 1.238 85 K HN 0.463 8.888 8.250 0.292 0.000 0.428 86 V N 2.218 122.254 119.914 0.204 0.000 2.577 86 V HA 0.521 nan 4.120 nan 0.000 0.303 86 V C -1.757 174.475 176.094 0.230 0.000 1.042 86 V CA -0.811 61.567 62.300 0.130 0.000 0.872 86 V CB 2.758 34.682 31.823 0.169 0.000 0.998 86 V HN 0.329 8.674 8.190 0.258 0.000 0.423 87 Q N 4.985 124.893 119.800 0.179 0.000 2.389 87 Q HA 0.933 nan 4.340 nan 0.000 0.277 87 Q C -1.954 174.153 176.000 0.179 0.000 1.082 87 Q CA -1.433 54.461 55.803 0.151 0.000 0.810 87 Q CB 4.691 33.481 28.738 0.085 0.000 1.374 87 Q HN 0.322 8.688 8.270 0.161 0.000 0.422 88 L N 1.024 122.338 121.223 0.151 0.000 2.365 88 L HA 0.665 nan 4.340 nan 0.000 0.273 88 L C -2.040 174.891 176.870 0.102 0.000 1.000 88 L CA -0.196 54.739 54.840 0.158 0.000 0.819 88 L CB 2.675 44.850 42.059 0.194 0.000 1.284 88 L HN 0.638 8.927 8.230 0.099 0.000 0.418 89 Q N 1.813 121.678 119.800 0.107 0.000 2.285 89 Q HA 0.689 nan 4.340 nan 0.000 0.269 89 Q C -1.828 174.224 176.000 0.087 0.000 1.030 89 Q CA -0.927 54.924 55.803 0.080 0.000 0.788 89 Q CB 4.168 32.946 28.738 0.067 0.000 1.266 89 Q HN 0.456 8.804 8.270 0.131 0.000 0.438 90 L N 6.260 127.530 121.223 0.079 0.000 2.295 90 L HA 0.491 nan 4.340 nan 0.000 0.285 90 L C -2.129 174.780 176.870 0.066 0.000 1.035 90 L CA -2.830 52.061 54.840 0.085 0.000 0.806 90 L CB 0.697 42.813 42.059 0.094 0.000 1.214 90 L HN 0.622 8.786 8.230 0.068 0.107 0.426 91 P HA -0.006 nan 4.420 nan 0.000 0.268 91 P C -0.065 177.261 177.300 0.043 0.000 1.208 91 P CA -0.416 62.714 63.100 0.049 0.000 0.777 91 P CB 0.819 32.549 31.700 0.049 0.000 0.875 92 D N 0.724 121.143 120.400 0.032 0.000 2.264 92 D HA -0.242 nan 4.640 nan 0.000 0.208 92 D C 0.526 176.841 176.300 0.026 0.000 0.966 92 D CA 2.738 56.754 54.000 0.027 0.000 0.864 92 D CB -0.091 40.720 40.800 0.019 0.000 0.933 92 D HN 0.445 8.833 8.370 0.029 0.000 0.499 93 N N -3.994 114.723 118.700 0.028 0.000 2.457 93 N HA -0.208 nan 4.740 nan 0.000 0.180 93 N C 0.673 176.202 175.510 0.031 0.000 1.050 93 N CA 0.159 53.225 53.050 0.026 0.000 0.906 93 N CB -0.616 37.886 38.487 0.025 0.000 0.968 93 N HN -0.351 8.002 8.380 0.030 0.045 0.445 94 E N 1.703 121.929 120.200 0.043 0.000 2.442 94 E HA -0.100 nan 4.350 nan 0.000 0.262 94 E C 0.559 177.179 176.600 0.034 0.000 1.004 94 E CA 0.697 57.130 56.400 0.054 0.000 0.928 94 E CB 1.001 30.748 29.700 0.078 0.000 0.937 94 E HN -0.568 7.669 8.360 0.045 0.151 0.446 95 V N -4.107 115.820 119.914 0.021 0.000 3.354 95 V HA 0.120 nan 4.120 nan 0.000 0.258 95 V C 0.010 176.084 176.094 -0.034 0.000 1.159 95 V CA 0.211 62.503 62.300 -0.013 0.000 1.125 95 V CB -0.194 31.608 31.823 -0.036 0.000 0.774 95 V HN 0.234 8.443 8.190 0.033 0.000 0.464 96 A N 0.034 122.847 122.820 -0.011 0.000 2.386 96 A HA -0.002 nan 4.320 nan 0.000 0.248 96 A C -1.440 176.165 177.584 0.036 0.000 1.082 96 A CA -0.017 52.010 52.037 -0.016 0.000 0.789 96 A CB 1.076 20.145 19.000 0.115 0.000 1.025 96 A HN -0.532 7.637 8.150 0.031 0.000 0.490 97 Q N -2.221 117.600 119.800 0.036 0.000 2.421 97 Q HA 0.499 nan 4.340 nan 0.000 0.280 97 Q C -1.005 175.047 176.000 0.087 0.000 1.085 97 Q CA -2.154 53.683 55.803 0.056 0.000 0.807 97 Q CB 4.989 33.746 28.738 0.031 0.000 1.405 97 Q HN 0.243 8.520 8.270 0.011 0.000 0.419 98 I N 2.872 123.504 120.570 0.103 0.000 2.396 98 I HA -0.182 nan 4.170 nan 0.000 0.289 98 I C -0.801 175.390 176.117 0.125 0.000 1.056 98 I CA 1.090 62.474 61.300 0.139 0.000 1.365 98 I CB -0.141 37.959 38.000 0.167 0.000 1.407 98 I HN 0.236 8.385 8.210 0.092 0.116 0.509 99 S N 7.786 123.536 115.700 0.082 0.000 2.510 99 S HA 0.132 nan 4.470 nan 0.000 0.230 99 S C -0.810 173.703 174.600 -0.145 0.000 1.066 99 S CA 1.523 59.730 58.200 0.012 0.000 0.941 99 S CB 2.334 65.549 63.200 0.025 0.000 0.829 99 S HN 0.889 9.143 8.310 0.093 0.112 0.530 100 D N -2.676 117.594 120.400 -0.216 0.000 2.592 100 D HA 0.323 nan 4.640 nan 0.000 0.263 100 D C -2.159 173.852 176.300 -0.482 0.000 1.132 100 D CA -0.730 52.926 54.000 -0.574 0.000 0.996 100 D CB 3.345 43.990 40.800 -0.259 0.000 1.442 100 D HN -0.830 7.505 8.370 -0.059 0.000 0.486 101 Y N -6.103 114.326 120.300 0.215 0.000 2.620 101 Y HA 0.583 nan 4.550 nan 0.000 0.331 101 Y C -2.567 173.603 175.900 0.450 0.000 1.173 101 Y CA -1.284 57.026 58.100 0.350 0.000 1.076 101 Y CB 2.003 40.609 38.460 0.243 0.000 1.336 101 Y HN 0.004 7.902 8.280 -0.638 0.000 0.459 102 Y N 0.052 120.703 120.300 0.586 0.000 2.482 102 Y HA 0.457 nan 4.550 nan 0.000 0.334 102 Y C -3.085 173.043 175.900 0.379 0.000 1.091 102 Y CA -2.479 55.868 58.100 0.412 0.000 1.027 102 Y CB 4.050 42.640 38.460 0.216 0.000 1.306 102 Y HN 0.755 9.542 8.280 0.845 0.000 0.446 103 P HA 0.404 nan 4.420 nan 0.000 0.276 103 P C -1.168 176.094 177.300 -0.064 0.000 1.261 103 P CA -0.418 62.209 63.100 -0.788 0.000 0.800 103 P CB 1.468 32.876 31.700 -0.486 0.000 1.066 104 R N -1.364 119.062 120.500 -0.123 0.000 2.943 104 R HA 0.215 nan 4.340 nan 0.000 0.246 104 R C -1.033 175.277 176.300 0.017 0.000 1.201 104 R CA -0.911 55.217 56.100 0.046 0.000 1.056 104 R CB 1.939 32.320 30.300 0.135 0.000 1.243 104 R HN 0.181 8.269 8.270 -0.303 0.000 0.498 105 N N -0.201 118.507 118.700 0.014 0.000 2.513 105 N HA 0.133 nan 4.740 nan 0.000 0.268 105 N C -0.112 175.417 175.510 0.032 0.000 1.180 105 N CA 0.429 53.487 53.050 0.013 0.000 0.948 105 N CB 0.221 38.703 38.487 -0.007 0.000 1.083 105 N HN 0.128 8.512 8.380 0.007 0.000 0.455 106 S N 1.673 117.395 115.700 0.036 0.000 2.578 106 S HA 0.141 nan 4.470 nan 0.000 0.301 106 S C -0.612 174.011 174.600 0.038 0.000 1.091 106 S CA -0.547 57.680 58.200 0.046 0.000 1.032 106 S CB 1.700 64.933 63.200 0.055 0.000 1.064 106 S HN 0.122 8.452 8.310 0.034 0.000 0.508 107 I N 2.982 123.575 120.570 0.038 0.000 2.416 107 I HA -0.052 nan 4.170 nan 0.000 0.288 107 I C -0.100 176.038 176.117 0.035 0.000 1.051 107 I CA 0.034 61.352 61.300 0.031 0.000 1.375 107 I CB 0.437 38.454 38.000 0.029 0.000 1.407 107 I HN 0.143 8.380 8.210 0.044 0.000 0.516 108 D N 6.001 126.419 120.400 0.030 0.000 2.383 108 D HA 0.130 nan 4.640 nan 0.000 0.248 108 D C -0.913 175.410 176.300 0.038 0.000 1.170 108 D CA 0.077 54.100 54.000 0.039 0.000 0.977 108 D CB 1.048 41.871 40.800 0.037 0.000 1.120 108 D HN 0.240 8.623 8.370 0.022 0.000 0.481 109 T N 0.004 114.591 114.554 0.054 0.000 2.883 109 T HA 0.287 nan 4.350 nan 0.000 0.296 109 T C -1.956 172.793 174.700 0.082 0.000 1.117 109 T CA -0.703 61.432 62.100 0.058 0.000 1.006 109 T CB 1.643 70.547 68.868 0.061 0.000 1.191 109 T HN 0.124 8.406 8.240 0.069 0.000 0.508 110 K N 0.741 121.191 120.400 0.084 0.000 2.536 110 K HA 0.573 nan 4.320 nan 0.000 0.269 110 K C -1.854 174.825 176.600 0.132 0.000 0.965 110 K CA -1.256 55.106 56.287 0.125 0.000 0.860 110 K CB 2.749 35.290 32.500 0.068 0.000 1.423 110 K HN -0.045 8.246 8.250 0.069 0.000 0.438 111 E N 1.945 122.239 120.200 0.156 0.000 2.145 111 E HA 0.269 nan 4.350 nan 0.000 0.270 111 E C -1.905 174.788 176.600 0.155 0.000 0.906 111 E CA -1.049 55.431 56.400 0.133 0.000 0.761 111 E CB 2.826 32.579 29.700 0.089 0.000 1.116 111 E HN 0.513 8.881 8.360 0.191 0.108 0.408 112 Y N 6.717 127.046 120.300 0.048 0.000 2.361 112 Y HA 0.581 nan 4.550 nan 0.000 0.332 112 Y C -1.431 174.488 175.900 0.033 0.000 1.101 112 Y CA -0.444 57.684 58.100 0.046 0.000 1.137 112 Y CB 1.761 40.245 38.460 0.041 0.000 1.207 112 Y HN 0.328 8.750 8.280 0.236 0.000 0.463 113 M N 7.790 126.945 119.600 -0.741 0.000 2.324 113 M HA 0.328 nan 4.480 nan 0.000 0.288 113 M C -2.344 173.635 176.300 -0.535 0.000 1.097 113 M CA 0.228 55.273 55.300 -0.426 0.000 0.928 113 M CB 4.035 36.494 32.600 -0.236 0.000 1.648 113 M HN 0.479 7.980 8.290 -1.315 0.000 0.460 114 S N 3.719 119.262 115.700 -0.262 0.000 2.513 114 S HA 0.721 nan 4.470 nan 0.000 0.299 114 S C -1.007 173.496 174.600 -0.163 0.000 1.087 114 S CA -0.974 57.082 58.200 -0.240 0.000 1.012 114 S CB 2.560 65.707 63.200 -0.087 0.000 1.044 114 S HN 0.357 8.584 8.310 -0.139 0.000 0.485 115 T N 5.739 120.185 114.554 -0.181 0.000 2.928 115 T HA 0.357 nan 4.350 nan 0.000 0.296 115 T C -1.983 172.670 174.700 -0.078 0.000 1.000 115 T CA -0.026 62.009 62.100 -0.108 0.000 0.989 115 T CB 2.104 70.916 68.868 -0.094 0.000 1.005 115 T HN 0.469 8.550 8.240 -0.266 0.000 0.442 116 L N 6.019 127.220 121.223 -0.037 0.000 2.319 116 L HA 0.612 nan 4.340 nan 0.000 0.281 116 L C -1.119 175.752 176.870 0.003 0.000 1.005 116 L CA -0.526 54.327 54.840 0.021 0.000 0.828 116 L CB 1.584 43.693 42.059 0.083 0.000 1.227 116 L HN 0.206 8.414 8.230 -0.038 0.000 0.415 117 T N 8.922 123.478 114.554 0.003 0.000 2.932 117 T HA 0.498 nan 4.350 nan 0.000 0.289 117 T C -2.542 172.169 174.700 0.019 0.000 1.039 117 T CA -0.758 61.281 62.100 -0.102 0.000 1.024 117 T CB 2.696 71.505 68.868 -0.098 0.000 1.090 117 T HN 0.065 8.322 8.240 0.029 0.000 0.496 118 Y N -5.070 115.135 120.300 -0.159 0.000 2.294 118 Y HA 0.451 nan 4.550 nan 0.000 0.316 118 Y C -2.204 173.398 175.900 -0.496 0.000 1.265 118 Y CA -1.285 56.658 58.100 -0.263 0.000 1.149 118 Y CB 0.893 39.232 38.460 -0.200 0.000 1.293 118 Y HN 0.060 8.073 8.280 -0.446 0.000 0.416 119 G N 0.469 108.995 108.800 -0.457 0.000 3.042 119 G HA2 0.487 nan 3.960 nan 0.000 0.278 119 G HA3 0.487 nan 3.960 nan 0.000 0.278 119 G C -3.419 170.906 174.900 -0.959 0.000 1.371 119 G CA -1.696 42.973 45.100 -0.718 0.000 1.009 119 G HN -0.209 8.060 8.290 -0.287 -0.151 0.523 120 F N -3.876 116.108 119.950 0.057 0.000 2.645 120 F HA 0.627 nan 4.527 nan 0.000 0.310 120 F C -1.143 174.674 175.800 0.028 0.000 1.102 120 F CA -1.351 56.677 58.000 0.045 0.000 0.952 120 F CB 3.827 42.856 39.000 0.049 0.000 1.326 120 F HN 0.023 8.231 8.300 -0.153 0.000 0.456 121 N N -1.215 117.608 118.700 0.204 0.000 2.504 121 N HA 0.164 nan 4.740 nan 0.000 0.268 121 N C -2.372 173.192 175.510 0.090 0.000 1.184 121 N CA -0.391 52.729 53.050 0.117 0.000 0.875 121 N CB 3.584 42.112 38.487 0.069 0.000 1.630 121 N HN 0.369 8.881 8.380 0.219 0.000 0.486 122 G N -1.091 107.748 108.800 0.065 0.000 2.609 122 G HA2 0.381 nan 3.960 nan 0.000 0.308 122 G HA3 0.381 nan 3.960 nan 0.000 0.308 122 G C -1.828 173.092 174.900 0.033 0.000 1.369 122 G CA -0.185 44.942 45.100 0.046 0.000 0.958 122 G HN 0.243 8.570 8.290 0.063 0.000 0.499 123 N N 4.903 123.619 118.700 0.027 0.000 2.284 123 N HA 0.270 nan 4.740 nan 0.000 0.300 123 N C -1.572 173.948 175.510 0.017 0.000 1.047 123 N CA -0.517 52.545 53.050 0.021 0.000 0.821 123 N CB 3.563 42.062 38.487 0.020 0.000 1.337 123 N HN 0.311 8.601 8.380 0.028 0.107 0.482 124 V N 1.027 120.949 119.914 0.014 0.000 2.376 124 V HA 0.237 nan 4.120 nan 0.000 0.287 124 V C -0.155 175.944 176.094 0.009 0.000 1.015 124 V CA -0.475 61.831 62.300 0.011 0.000 0.834 124 V CB 0.224 32.053 31.823 0.010 0.000 1.001 124 V HN 0.257 8.456 8.190 0.014 0.000 0.428 125 T N 5.280 119.840 114.554 0.009 0.000 2.922 125 T HA 0.547 nan 4.350 nan 0.000 0.281 125 T C -0.296 174.408 174.700 0.006 0.000 1.005 125 T CA -2.302 59.802 62.100 0.008 0.000 0.982 125 T CB 2.205 71.078 68.868 0.008 0.000 1.158 125 T HN 0.070 8.208 8.240 0.009 0.108 0.566 126 G N -1.480 107.323 108.800 0.006 0.000 2.316 126 G HA2 0.106 nan 3.960 nan 0.000 0.296 126 G HA3 0.106 nan 3.960 nan 0.000 0.296 126 G C -2.605 172.298 174.900 0.004 0.000 1.399 126 G CA 0.271 45.373 45.100 0.005 0.000 0.833 126 G HN 0.023 8.316 8.290 0.006 0.000 0.565 127 D N -2.790 117.612 120.400 0.004 0.000 2.838 127 D HA 0.153 nan 4.640 nan 0.000 0.334 127 D C -0.343 175.958 176.300 0.003 0.000 1.315 127 D CA -0.770 53.232 54.000 0.004 0.000 0.917 127 D CB 1.523 42.325 40.800 0.004 0.000 1.435 127 D HN -0.366 8.006 8.370 0.004 0.000 0.517 128 D N -3.737 116.665 120.400 0.003 0.000 2.178 128 D HA -0.172 nan 4.640 nan 0.000 0.202 128 D C 0.880 177.181 176.300 0.002 0.000 0.974 128 D CA 1.933 55.935 54.000 0.003 0.000 0.841 128 D CB -0.254 40.548 40.800 0.002 0.000 0.953 128 D HN 0.195 8.567 8.370 0.003 0.000 0.478 129 T N -6.199 108.356 114.554 0.003 0.000 3.565 129 T HA 0.107 nan 4.350 nan 0.000 0.248 129 T C 0.976 175.678 174.700 0.002 0.000 1.033 129 T CA -0.485 61.616 62.100 0.002 0.000 0.952 129 T CB -1.852 67.017 68.868 0.002 0.000 1.072 129 T HN -0.393 7.927 8.240 0.003 -0.079 0.609 130 G N -0.011 108.790 108.800 0.003 0.000 2.244 130 G HA2 -0.402 nan 3.960 nan 0.000 0.274 130 G HA3 -0.402 nan 3.960 nan 0.000 0.274 130 G C -0.462 174.440 174.900 0.003 0.000 1.002 130 G CA 0.153 45.255 45.100 0.003 0.000 0.740 130 G HN -0.476 7.682 8.290 0.003 0.134 0.516 131 K N 0.278 120.680 120.400 0.003 0.000 2.180 131 K HA 0.096 nan 4.320 nan 0.000 0.251 131 K C -0.789 175.813 176.600 0.004 0.000 1.014 131 K CA -0.077 56.212 56.287 0.003 0.000 0.913 131 K CB 0.989 33.491 32.500 0.004 0.000 1.008 131 K HN -0.408 8.052 8.250 0.003 -0.208 0.490 132 I N 1.506 122.078 120.570 0.004 0.000 2.649 132 I HA 0.163 nan 4.170 nan 0.000 0.289 132 I C -1.215 174.905 176.117 0.005 0.000 1.222 132 I CA -0.277 61.025 61.300 0.005 0.000 1.046 132 I CB 2.728 40.731 38.000 0.004 0.000 1.272 132 I HN -0.043 8.170 8.210 0.004 0.000 0.425 133 G N 4.966 113.769 108.800 0.006 0.000 3.140 133 G HA2 0.464 nan 3.960 nan 0.000 0.271 133 G HA3 0.464 nan 3.960 nan 0.000 0.271 133 G C -2.052 172.853 174.900 0.008 0.000 1.370 133 G CA -1.236 43.868 45.100 0.007 0.000 1.014 133 G HN 0.175 8.345 8.290 0.006 0.124 0.541 134 G N -2.928 105.878 108.800 0.010 0.000 2.600 134 G HA2 0.437 nan 3.960 nan 0.000 0.293 134 G HA3 0.437 nan 3.960 nan 0.000 0.293 134 G C -2.142 172.767 174.900 0.015 0.000 1.408 134 G CA 0.519 45.626 45.100 0.012 0.000 0.782 134 G HN -0.154 8.142 8.290 0.010 0.000 0.482 135 L N -0.558 120.676 121.223 0.018 0.000 2.847 135 L HA 0.268 nan 4.340 nan 0.000 0.261 135 L C -2.021 174.867 176.870 0.030 0.000 0.926 135 L CA 0.141 54.995 54.840 0.023 0.000 1.010 135 L CB 2.644 44.717 42.059 0.022 0.000 1.538 135 L HN 0.069 8.310 8.230 0.018 0.000 0.465 136 I N 6.248 126.838 120.570 0.034 0.000 2.437 136 I HA 0.462 nan 4.170 nan 0.000 0.279 136 I C -1.151 175.002 176.117 0.060 0.000 1.028 136 I CA -0.683 60.645 61.300 0.047 0.000 1.142 136 I CB 1.505 39.528 38.000 0.037 0.000 1.266 136 I HN 0.239 8.467 8.210 0.030 0.000 0.461 137 G N 6.281 115.126 108.800 0.075 0.000 2.461 137 G HA2 0.364 nan 3.960 nan 0.000 0.329 137 G HA3 0.364 nan 3.960 nan 0.000 0.329 137 G C -2.502 172.474 174.900 0.126 0.000 1.170 137 G CA -1.066 44.081 45.100 0.079 0.000 0.935 137 G HN 0.135 8.470 8.290 0.076 0.000 0.492 138 A N -0.200 122.683 122.820 0.105 0.000 2.594 138 A HA 0.813 nan 4.320 nan 0.000 0.291 138 A C -2.082 175.523 177.584 0.036 0.000 1.105 138 A CA -0.461 51.652 52.037 0.125 0.000 0.694 138 A CB 2.913 22.028 19.000 0.192 0.000 1.291 138 A HN 0.040 8.234 8.150 0.072 0.000 0.410 139 N N -2.144 116.544 118.700 -0.020 0.000 3.043 139 N HA 0.089 nan 4.740 nan 0.000 0.243 139 N C -2.595 172.903 175.510 -0.020 0.000 1.347 139 N CA 0.256 53.293 53.050 -0.022 0.000 0.896 139 N CB 2.316 40.784 38.487 -0.031 0.000 1.501 139 N HN -0.021 8.316 8.380 -0.071 0.000 0.504 140 V N -1.463 118.457 119.914 0.009 0.000 3.087 140 V HA 0.605 nan 4.120 nan 0.000 0.306 140 V C -1.619 174.495 176.094 0.034 0.000 1.187 140 V CA -0.890 61.436 62.300 0.043 0.000 0.999 140 V CB 3.515 35.354 31.823 0.028 0.000 1.049 140 V HN 0.222 8.416 8.190 0.008 0.000 0.431 141 S N 3.155 118.882 115.700 0.045 0.000 2.579 141 S HA 0.357 nan 4.470 nan 0.000 0.272 141 S C -2.205 172.417 174.600 0.037 0.000 1.141 141 S CA -0.557 57.663 58.200 0.032 0.000 0.843 141 S CB 2.904 66.111 63.200 0.010 0.000 1.122 141 S HN 0.363 8.717 8.310 0.073 0.000 0.468 142 I N 0.723 121.320 120.570 0.046 0.000 2.497 142 I HA 0.314 nan 4.170 nan 0.000 0.284 142 I C -0.783 175.372 176.117 0.064 0.000 1.060 142 I CA -0.296 61.027 61.300 0.038 0.000 1.071 142 I CB 2.074 40.136 38.000 0.103 0.000 1.216 142 I HN 0.266 8.508 8.210 0.054 0.000 0.442 143 G N 5.281 114.059 108.800 -0.036 0.000 2.420 143 G HA2 0.446 nan 3.960 nan 0.000 0.331 143 G HA3 0.446 nan 3.960 nan 0.000 0.331 143 G C -1.988 172.833 174.900 -0.133 0.000 1.168 143 G CA -1.233 43.871 45.100 0.007 0.000 0.936 143 G HN 0.512 8.744 8.290 -0.097 0.000 0.479 144 H N 1.081 120.122 119.070 -0.049 0.000 2.744 144 H HA 0.493 nan 4.556 nan 0.000 0.339 144 H C -1.063 174.178 175.328 -0.144 0.000 1.004 144 H CA -0.946 55.037 56.048 -0.109 0.000 1.257 144 H CB 2.071 31.840 29.762 0.013 0.000 1.552 144 H HN 0.214 8.621 8.280 0.212 0.000 0.522 145 T N 6.819 121.262 114.554 -0.186 0.000 2.824 145 T HA 0.335 nan 4.350 nan 0.000 0.282 145 T C -2.121 172.478 174.700 -0.168 0.000 0.993 145 T CA -0.379 61.643 62.100 -0.129 0.000 0.967 145 T CB 1.989 70.787 68.868 -0.117 0.000 0.960 145 T HN 0.749 8.761 8.240 -0.381 0.000 0.441 146 L N 4.051 125.274 121.223 -0.000 0.000 2.356 146 L HA 0.661 nan 4.340 nan 0.000 0.277 146 L C -1.637 175.344 176.870 0.185 0.000 0.996 146 L CA -0.831 54.076 54.840 0.112 0.000 0.822 146 L CB 2.314 44.481 42.059 0.181 0.000 1.256 146 L HN 0.277 8.527 8.230 0.033 0.000 0.413 147 K N 7.083 127.609 120.400 0.208 0.000 2.378 147 K HA 0.502 nan 4.320 nan 0.000 0.252 147 K C -2.215 174.561 176.600 0.293 0.000 0.931 147 K CA -1.272 55.118 56.287 0.172 0.000 0.794 147 K CB 3.453 35.989 32.500 0.059 0.000 1.181 147 K HN 0.863 9.125 8.250 0.191 0.103 0.425 148 Y N -3.213 117.097 120.300 0.015 0.000 2.677 148 Y HA 0.375 nan 4.550 nan 0.000 0.334 148 Y C -1.805 174.100 175.900 0.009 0.000 1.196 148 Y CA -1.936 56.175 58.100 0.017 0.000 1.059 148 Y CB 1.010 39.483 38.460 0.022 0.000 1.315 148 Y HN -0.055 8.060 8.280 -0.275 0.000 0.455 149 V N 1.998 121.941 119.914 0.048 0.000 2.532 149 V HA 0.156 nan 4.120 nan 0.000 0.295 149 V C -0.293 175.812 176.094 0.018 0.000 1.041 149 V CA -0.446 61.840 62.300 -0.025 0.000 0.926 149 V CB 0.508 32.341 31.823 0.016 0.000 0.992 149 V HN 0.396 8.686 8.190 0.167 0.000 0.457 150 Q N 3.605 123.381 119.800 -0.041 0.000 2.464 150 Q HA 0.458 nan 4.340 nan 0.000 0.256 150 Q C -2.428 173.558 176.000 -0.023 0.000 1.020 150 Q CA -2.630 53.164 55.803 -0.014 0.000 0.716 150 Q CB 0.870 29.575 28.738 -0.056 0.000 1.230 150 Q HN 0.154 8.378 8.270 -0.078 0.000 0.494 151 P HA 0.046 nan 4.420 nan 0.000 0.270 151 P C -0.765 176.524 177.300 -0.018 0.000 1.223 151 P CA -0.494 62.621 63.100 0.025 0.000 0.785 151 P CB 1.546 33.284 31.700 0.062 0.000 0.923 152 D N -1.145 119.275 120.400 0.034 0.000 2.149 152 D HA -0.107 nan 4.640 nan 0.000 0.201 152 D C 0.119 176.336 176.300 -0.139 0.000 0.972 152 D CA 2.136 56.119 54.000 -0.029 0.000 0.835 152 D CB 0.369 41.288 40.800 0.199 0.000 0.966 152 D HN 0.242 8.668 8.370 0.094 0.000 0.476 153 F N -4.761 115.184 119.950 -0.009 0.000 2.563 153 F HA 0.344 nan 4.527 nan 0.000 0.316 153 F C -1.142 174.673 175.800 0.024 0.000 1.076 153 F CA -1.262 56.758 58.000 0.032 0.000 0.921 153 F CB 4.032 43.098 39.000 0.109 0.000 1.209 153 F HN -0.699 7.783 8.300 0.302 0.000 0.462 154 K N 2.132 122.640 120.400 0.179 0.000 2.207 154 K HA 0.399 nan 4.320 nan 0.000 0.255 154 K C -1.325 175.361 176.600 0.143 0.000 0.941 154 K CA -1.397 54.964 56.287 0.123 0.000 0.825 154 K CB 3.299 35.837 32.500 0.063 0.000 1.119 154 K HN 0.729 8.974 8.250 0.166 0.105 0.430 155 T N 3.956 118.587 114.554 0.129 0.000 2.756 155 T HA 0.481 nan 4.350 nan 0.000 0.290 155 T C -0.810 173.948 174.700 0.096 0.000 0.985 155 T CA -0.077 62.104 62.100 0.135 0.000 0.955 155 T CB 0.050 69.029 68.868 0.185 0.000 0.930 155 T HN 0.307 8.619 8.240 0.120 0.000 0.451 156 I N 7.602 128.215 120.570 0.072 0.000 2.498 156 I HA 0.339 nan 4.170 nan 0.000 0.290 156 I C -2.067 174.020 176.117 -0.050 0.000 1.032 156 I CA -1.207 60.102 61.300 0.014 0.000 1.073 156 I CB 4.100 42.096 38.000 -0.005 0.000 1.251 156 I HN 0.938 9.197 8.210 0.082 0.000 0.426 157 L N 7.122 128.267 121.223 -0.128 0.000 2.281 157 L HA 0.233 nan 4.340 nan 0.000 0.285 157 L C -1.363 175.282 176.870 -0.374 0.000 1.074 157 L CA -0.649 53.947 54.840 -0.406 0.000 0.817 157 L CB 0.777 42.615 42.059 -0.369 0.000 1.168 157 L HN 0.441 9.001 8.230 -0.075 -0.375 0.434 158 E N 7.870 127.798 120.200 -0.453 0.000 2.283 158 E HA 0.132 nan 4.350 nan 0.000 0.278 158 E C -0.204 176.173 176.600 -0.371 0.000 1.027 158 E CA -1.051 55.157 56.400 -0.321 0.000 0.843 158 E CB 1.186 30.737 29.700 -0.249 0.000 1.062 158 E HN 0.474 8.476 8.360 -0.596 0.000 0.401 159 S N 6.184 121.728 115.700 -0.259 0.000 3.480 159 S HA -0.231 nan 4.470 nan 0.000 0.411 159 S C -1.589 172.851 174.600 -0.267 0.000 1.164 159 S CA -0.166 57.895 58.200 -0.232 0.000 1.084 159 S CB -0.602 62.512 63.200 -0.144 0.000 0.759 159 S HN 0.420 8.609 8.310 -0.201 0.000 0.515 160 P HA 0.392 nan 4.420 nan 0.000 0.281 160 P C -1.505 175.706 177.300 -0.148 0.000 1.264 160 P CA -0.539 62.369 63.100 -0.320 0.000 0.824 160 P CB 1.160 32.525 31.700 -0.558 0.000 1.092 161 T N -2.786 111.715 114.554 -0.088 0.000 2.676 161 T HA 0.241 nan 4.350 nan 0.000 0.269 161 T C -1.032 173.676 174.700 0.015 0.000 0.952 161 T CA -1.091 60.992 62.100 -0.029 0.000 1.040 161 T CB 2.205 71.055 68.868 -0.029 0.000 1.352 161 T HN 0.287 8.364 8.240 -0.100 0.103 0.554 162 D N -2.945 117.471 120.400 0.027 0.000 2.340 162 D HA 0.039 nan 4.640 nan 0.000 0.220 162 D C 0.361 176.690 176.300 0.048 0.000 1.039 162 D CA 0.938 54.967 54.000 0.048 0.000 0.866 162 D CB -0.348 40.476 40.800 0.039 0.000 0.913 162 D HN 0.104 8.484 8.370 0.017 0.000 0.523 163 K N -1.968 118.452 120.400 0.033 0.000 2.440 163 K HA 0.248 nan 4.320 nan 0.000 0.207 163 K C -1.284 175.334 176.600 0.030 0.000 1.112 163 K CA -0.671 55.639 56.287 0.039 0.000 1.036 163 K CB 1.905 34.423 32.500 0.031 0.000 0.935 163 K HN -0.241 7.948 8.250 0.018 0.072 0.564 164 K N -1.117 119.284 120.400 0.002 0.000 2.525 164 K HA 0.575 nan 4.320 nan 0.000 0.254 164 K C -3.204 173.333 176.600 -0.105 0.000 0.934 164 K CA -0.608 55.662 56.287 -0.028 0.000 0.802 164 K CB 3.901 36.382 32.500 -0.032 0.000 1.295 164 K HN -0.410 7.837 8.250 -0.004 0.000 0.433 165 V N 3.831 123.660 119.914 -0.142 0.000 3.087 165 V HA 0.784 nan 4.120 nan 0.000 0.306 165 V C -2.755 173.119 176.094 -0.366 0.000 1.187 165 V CA -2.181 59.909 62.300 -0.350 0.000 0.999 165 V CB 4.242 35.839 31.823 -0.377 0.000 1.049 165 V HN 0.204 8.351 8.190 -0.071 0.000 0.431 166 G N 2.906 111.332 108.800 -0.623 0.000 2.673 166 G HA2 0.727 nan 3.960 nan 0.000 0.292 166 G HA3 0.727 nan 3.960 nan 0.000 0.292 166 G C -2.914 171.628 174.900 -0.596 0.000 1.450 166 G CA 0.658 45.518 45.100 -0.399 0.000 0.837 166 G HN -0.359 7.436 8.290 -0.825 0.000 0.505 167 W N -1.337 119.815 121.300 -0.247 0.000 2.864 167 W HA 0.787 nan 4.660 nan 0.000 0.343 167 W C -1.752 174.664 176.519 -0.171 0.000 1.109 167 W CA -1.504 55.621 57.345 -0.366 0.000 1.192 167 W CB 4.890 33.768 29.460 -0.970 0.000 1.426 167 W HN 0.910 9.216 8.180 0.211 0.000 0.529 168 K N -2.902 117.549 120.400 0.086 0.000 2.482 168 K HA 0.663 nan 4.320 nan 0.000 0.251 168 K C -2.084 174.582 176.600 0.111 0.000 0.936 168 K CA -1.068 55.281 56.287 0.103 0.000 0.791 168 K CB 3.184 35.715 32.500 0.051 0.000 1.213 168 K HN 0.771 9.051 8.250 0.049 0.000 0.428 169 V N 4.689 124.679 119.914 0.126 0.000 2.294 169 V HA 0.679 nan 4.120 nan 0.000 0.272 169 V C -0.895 175.378 176.094 0.298 0.000 1.027 169 V CA -0.999 61.370 62.300 0.114 0.000 0.823 169 V CB -0.041 31.603 31.823 -0.298 0.000 1.030 169 V HN 0.954 9.122 8.190 0.153 0.114 0.457 170 I N 1.965 122.695 120.570 0.268 0.000 2.498 170 I HA 0.874 nan 4.170 nan 0.000 0.301 170 I C -1.543 174.628 176.117 0.090 0.000 0.984 170 I CA -2.574 58.857 61.300 0.219 0.000 1.204 170 I CB 2.693 40.754 38.000 0.101 0.000 1.362 170 I HN 0.460 8.788 8.210 0.197 0.000 0.471 171 F N 5.903 125.701 119.950 -0.252 0.000 2.543 171 F HA -0.306 nan 4.527 nan 0.000 0.375 171 F C -1.722 173.912 175.800 -0.277 0.000 1.075 171 F CA 1.674 59.266 58.000 -0.681 0.000 1.225 171 F CB 0.614 39.477 39.000 -0.228 0.000 1.099 171 F HN 0.224 8.635 8.300 0.185 0.000 0.561 172 N N 6.014 124.125 118.700 -0.982 0.000 2.523 172 N HA 0.120 nan 4.740 nan 0.000 0.209 172 N C -1.529 173.515 175.510 -0.777 0.000 1.039 172 N CA 1.095 53.788 53.050 -0.594 0.000 1.002 172 N CB 2.702 40.978 38.487 -0.352 0.000 1.270 172 N HN 0.726 8.225 8.380 -1.315 0.092 0.481 173 N N -4.183 113.916 118.700 -1.001 0.000 3.127 173 N HA 0.179 nan 4.740 nan 0.000 0.239 173 N C -2.119 173.129 175.510 -0.438 0.000 1.407 173 N CA -0.248 52.419 53.050 -0.639 0.000 0.891 173 N CB 2.289 40.638 38.487 -0.231 0.000 1.447 173 N HN -0.655 7.144 8.380 -0.968 0.000 0.507 174 M N -0.457 119.091 119.600 -0.087 0.000 2.520 174 M HA 0.234 nan 4.480 nan 0.000 0.283 174 M C -2.282 174.028 176.300 0.018 0.000 1.237 174 M CA -0.344 54.970 55.300 0.023 0.000 0.885 174 M CB 4.717 37.452 32.600 0.225 0.000 1.727 174 M HN 0.504 8.799 8.290 0.008 0.000 0.468 175 V N 3.199 123.107 119.914 -0.009 0.000 2.385 175 V HA 0.121 nan 4.120 nan 0.000 0.269 175 V C -1.114 174.939 176.094 -0.069 0.000 1.043 175 V CA -0.700 61.574 62.300 -0.044 0.000 0.906 175 V CB -0.190 31.595 31.823 -0.063 0.000 0.995 175 V HN 0.198 8.386 8.190 -0.003 0.000 0.467 176 N N 7.087 125.745 118.700 -0.070 0.000 2.437 176 N HA 0.047 nan 4.740 nan 0.000 0.243 176 N C -0.752 174.271 175.510 -0.812 0.000 1.041 176 N CA -1.137 51.723 53.050 -0.316 0.000 0.940 176 N CB 0.465 38.799 38.487 -0.256 0.000 1.133 176 N HN 0.236 8.673 8.380 0.096 0.000 0.506 177 Q N 5.720 125.153 119.800 -0.611 0.000 2.439 177 Q HA -0.392 nan 4.340 nan 0.000 0.325 177 Q C -1.511 174.156 176.000 -0.554 0.000 1.372 177 Q CA 1.013 56.445 55.803 -0.619 0.000 0.909 177 Q CB -2.455 25.832 28.738 -0.752 0.000 1.167 177 Q HN 0.630 8.671 8.270 -0.381 0.000 0.418 178 N N -8.243 110.290 118.700 -0.278 0.000 2.951 178 N HA -0.376 nan 4.740 nan 0.000 0.213 178 N C 0.017 175.571 175.510 0.073 0.000 0.877 178 N CA 1.691 54.699 53.050 -0.070 0.000 1.042 178 N CB -0.683 37.816 38.487 0.019 0.000 1.005 178 N HN 0.093 8.325 8.380 -0.247 0.000 0.604 179 W N -2.055 119.260 121.300 0.025 0.000 1.707 179 W HA 0.094 nan 4.660 nan 0.000 0.601 179 W C 1.056 177.492 176.519 -0.139 0.000 1.890 179 W CA -0.283 57.061 57.345 -0.001 0.000 2.128 179 W CB -0.387 29.139 29.460 0.111 0.000 2.771 179 W HN -0.465 7.356 8.180 -0.439 0.096 0.796 180 G N -0.272 108.478 108.800 -0.084 0.000 2.582 180 G HA2 -0.271 nan 3.960 nan 0.000 0.288 180 G HA3 -0.271 nan 3.960 nan 0.000 0.288 180 G C -1.447 173.247 174.900 -0.343 0.000 1.247 180 G CA -0.336 44.306 45.100 -0.763 0.000 0.972 180 G HN -0.427 7.939 8.290 0.127 0.000 0.557 181 P HA 0.108 nan 4.420 nan 0.000 0.272 181 P C -2.013 175.020 177.300 -0.445 0.000 1.230 181 P CA 0.212 63.128 63.100 -0.306 0.000 0.788 181 P CB 0.616 32.223 31.700 -0.154 0.000 0.949 182 Y N -0.972 119.339 120.300 0.019 0.000 2.468 182 Y HA 0.178 nan 4.550 nan 0.000 0.342 182 Y C -1.237 174.703 175.900 0.066 0.000 1.021 182 Y CA -1.061 57.058 58.100 0.031 0.000 1.079 182 Y CB 3.394 41.840 38.460 -0.024 0.000 1.226 182 Y HN 0.594 8.880 8.280 0.010 0.000 0.460 183 D N -1.301 119.263 120.400 0.272 0.000 2.732 183 D HA 0.358 nan 4.640 nan 0.000 0.292 183 D C 1.072 177.568 176.300 0.327 0.000 1.135 183 D CA -2.265 51.941 54.000 0.344 0.000 1.071 183 D CB 2.088 43.017 40.800 0.215 0.000 1.457 183 D HN 0.574 9.113 8.370 0.282 0.000 0.547 184 R N -2.717 118.021 120.500 0.396 0.000 2.249 184 R HA -0.273 nan 4.340 nan 0.000 0.230 184 R C 0.486 176.958 176.300 0.287 0.000 1.121 184 R CA 3.072 59.384 56.100 0.355 0.000 0.997 184 R CB -0.279 30.243 30.300 0.369 0.000 0.867 184 R HN 0.523 9.090 8.270 0.496 0.000 0.465 185 D N -3.892 116.659 120.400 0.253 0.000 2.395 185 D HA 0.223 nan 4.640 nan 0.000 0.213 185 D C -0.165 176.304 176.300 0.282 0.000 1.110 185 D CA -0.700 53.437 54.000 0.228 0.000 0.835 185 D CB 0.519 41.416 40.800 0.163 0.000 0.965 185 D HN -0.521 8.208 8.370 0.249 -0.210 0.505 186 S N 1.071 116.955 115.700 0.307 0.000 2.549 186 S HA -0.120 nan 4.470 nan 0.000 0.286 186 S C -1.386 173.479 174.600 0.441 0.000 1.314 186 S CA 2.000 60.404 58.200 0.340 0.000 1.062 186 S CB 0.640 64.066 63.200 0.376 0.000 0.865 186 S HN -0.268 8.085 8.310 0.291 0.131 0.498 187 W N 5.708 127.105 121.300 0.162 0.000 3.439 187 W HA 0.031 nan 4.660 nan 0.000 0.323 187 W C -3.093 173.500 176.519 0.123 0.000 1.174 187 W CA -0.509 56.915 57.345 0.132 0.000 1.224 187 W CB 2.348 31.867 29.460 0.100 0.000 1.348 187 W HN -0.051 8.347 8.180 0.363 0.000 0.498 188 N N 7.195 125.427 118.700 -0.780 0.000 2.352 188 N HA 0.412 nan 4.740 nan 0.000 0.291 188 N C -1.281 173.747 175.510 -0.803 0.000 1.040 188 N CA -2.644 50.126 53.050 -0.467 0.000 0.864 188 N CB 2.227 40.575 38.487 -0.233 0.000 1.440 188 N HN 0.081 7.495 8.380 -1.435 0.105 0.483 189 P HA -0.180 nan 4.420 nan 0.000 0.221 189 P C 0.468 177.658 177.300 -0.184 0.000 1.145 189 P CA 1.901 64.988 63.100 -0.022 0.000 0.795 189 P CB 0.450 32.199 31.700 0.083 0.000 0.775 190 V N -1.698 118.002 119.914 -0.357 0.000 2.391 190 V HA -0.159 nan 4.120 nan 0.000 0.237 190 V C 2.232 177.958 176.094 -0.613 0.000 1.046 190 V CA 3.498 65.486 62.300 -0.521 0.000 1.053 190 V CB -0.025 31.332 31.823 -0.777 0.000 0.704 190 V HN 0.066 8.273 8.190 -0.350 -0.228 0.475 191 Y N -2.364 117.765 120.300 -0.285 0.000 2.511 191 Y HA -0.022 nan 4.550 nan 0.000 0.279 191 Y C 0.656 176.306 175.900 -0.416 0.000 1.157 191 Y CA -0.762 57.175 58.100 -0.272 0.000 1.300 191 Y CB -0.022 38.322 38.460 -0.193 0.000 1.052 191 Y HN -0.268 8.019 8.280 -0.540 -0.331 0.529 192 G N -0.238 108.119 108.800 -0.739 0.000 2.552 192 G HA2 -0.562 nan 3.960 nan 0.000 0.265 192 G HA3 -0.562 nan 3.960 nan 0.000 0.265 192 G C -1.315 173.178 174.900 -0.678 0.000 1.234 192 G CA -0.322 43.947 45.100 -1.386 0.000 0.944 192 G HN -0.010 7.654 8.290 -0.807 0.142 0.568 193 N N 4.178 122.784 118.700 -0.156 0.000 2.470 193 N HA -0.116 nan 4.740 nan 0.000 0.268 193 N C 0.036 175.598 175.510 0.087 0.000 1.136 193 N CA 0.277 53.406 53.050 0.131 0.000 0.961 193 N CB 0.182 38.904 38.487 0.392 0.000 1.067 193 N HN 0.092 8.402 8.380 0.005 0.073 0.468 194 Q N 3.398 123.095 119.800 -0.172 0.000 2.204 194 Q HA 0.127 nan 4.340 nan 0.000 0.209 194 Q C 1.609 177.251 176.000 -0.596 0.000 0.861 194 Q CA -0.405 55.186 55.803 -0.353 0.000 0.971 194 Q CB 0.102 28.508 28.738 -0.554 0.000 1.095 194 Q HN 0.491 8.631 8.270 -0.216 0.000 0.486 195 L N 0.701 121.566 121.223 -0.596 0.000 1.991 195 L HA -0.328 nan 4.340 nan 0.000 0.221 195 L C -0.136 176.071 176.870 -1.104 0.000 1.079 195 L CA 3.347 57.606 54.840 -0.968 0.000 0.778 195 L CB 0.293 41.435 42.059 -1.529 0.000 0.893 195 L HN -0.376 7.894 8.230 -0.342 -0.245 0.437 196 F N -8.306 111.220 119.950 -0.707 0.000 2.791 196 F HA 0.132 nan 4.527 nan 0.000 0.308 196 F C -1.070 174.720 175.800 -0.017 0.000 1.138 196 F CA -2.935 54.848 58.000 -0.362 0.000 1.294 196 F CB 0.077 38.826 39.000 -0.419 0.000 0.975 196 F HN -0.673 6.727 8.300 -1.500 0.000 0.512 197 M N 1.311 120.958 119.600 0.079 0.000 2.162 197 M HA -0.051 nan 4.480 nan 0.000 0.356 197 M C -0.526 175.767 176.300 -0.012 0.000 1.303 197 M CA 0.676 56.007 55.300 0.051 0.000 1.116 197 M CB 1.248 33.877 32.600 0.049 0.000 1.632 197 M HN -0.557 7.631 8.290 -0.069 0.061 0.469 198 K N 7.143 127.492 120.400 -0.086 0.000 2.005 198 K HA -0.036 nan 4.320 nan 0.000 0.206 198 K C -0.291 176.312 176.600 0.005 0.000 1.044 198 K CA 1.655 57.907 56.287 -0.059 0.000 0.942 198 K CB 1.040 33.485 32.500 -0.092 0.000 0.727 198 K HN 0.707 8.746 8.250 -0.195 0.094 0.439 199 T N -5.750 108.766 114.554 -0.064 0.000 2.907 199 T HA 0.305 nan 4.350 nan 0.000 0.292 199 T C -0.710 174.013 174.700 0.039 0.000 1.043 199 T CA -1.366 60.752 62.100 0.029 0.000 1.003 199 T CB 2.746 71.642 68.868 0.048 0.000 1.084 199 T HN -0.440 7.930 8.240 -0.213 -0.258 0.483 200 R N -0.095 120.424 120.500 0.031 0.000 2.240 200 R HA -0.065 nan 4.340 nan 0.000 0.203 200 R C -1.216 175.316 176.300 0.386 0.000 1.011 200 R CA 1.746 57.820 56.100 -0.043 0.000 1.007 200 R CB 0.732 30.669 30.300 -0.606 0.000 0.911 200 R HN 0.388 8.662 8.270 0.007 0.000 0.468 201 N N -3.912 115.037 118.700 0.416 0.000 2.369 201 N HA 0.087 nan 4.740 nan 0.000 0.287 201 N C -1.849 173.895 175.510 0.390 0.000 1.067 201 N CA -0.346 52.991 53.050 0.478 0.000 0.888 201 N CB 3.496 42.159 38.487 0.294 0.000 1.616 201 N HN -0.650 7.850 8.380 0.264 0.038 0.482 202 G N 0.013 109.025 108.800 0.354 0.000 2.717 202 G HA2 -0.002 nan 3.960 nan 0.000 0.300 202 G HA3 -0.002 nan 3.960 nan 0.000 0.300 202 G C -0.410 174.473 174.900 -0.028 0.000 1.424 202 G CA -0.059 45.165 45.100 0.206 0.000 1.033 202 G HN -0.276 8.134 8.290 0.200 0.000 0.577 203 S N 1.967 117.629 115.700 -0.064 0.000 2.603 203 S HA -0.077 nan 4.470 nan 0.000 0.229 203 S C 0.210 174.748 174.600 -0.102 0.000 0.972 203 S CA 1.559 59.675 58.200 -0.140 0.000 0.935 203 S CB -0.110 63.048 63.200 -0.070 0.000 0.769 203 S HN 0.371 8.676 8.310 -0.008 0.000 0.536 204 M N -0.687 118.898 119.600 -0.025 0.000 2.202 204 M HA 0.131 nan 4.480 nan 0.000 0.316 204 M C -1.315 175.015 176.300 0.050 0.000 1.138 204 M CA -0.320 54.978 55.300 -0.004 0.000 1.151 204 M CB 1.536 34.124 32.600 -0.019 0.000 1.422 204 M HN -0.790 7.412 8.290 0.013 0.095 0.471 205 K N -2.598 117.818 120.400 0.026 0.000 2.140 205 K HA 0.088 nan 4.320 nan 0.000 0.237 205 K C 0.944 177.584 176.600 0.065 0.000 1.045 205 K CA -0.749 55.585 56.287 0.079 0.000 0.896 205 K CB 0.880 33.403 32.500 0.038 0.000 1.122 205 K HN -0.067 8.182 8.250 -0.002 0.000 0.503 206 A N -0.789 122.109 122.820 0.130 0.000 1.873 206 A HA -0.194 nan 4.320 nan 0.000 0.215 206 A C 1.733 179.173 177.584 -0.239 0.000 1.186 206 A CA 3.010 54.978 52.037 -0.116 0.000 0.616 206 A CB -0.790 18.291 19.000 0.134 0.000 0.823 206 A HN 0.307 8.466 8.150 0.182 0.100 0.442 207 A N -3.987 118.826 122.820 -0.012 0.000 2.186 207 A HA -0.176 nan 4.320 nan 0.000 0.219 207 A C 0.773 178.397 177.584 0.065 0.000 1.159 207 A CA 2.272 54.373 52.037 0.106 0.000 0.680 207 A CB -0.572 18.480 19.000 0.087 0.000 0.787 207 A HN 0.347 8.514 8.150 0.028 0.000 0.467 208 D N -3.472 116.885 120.400 -0.071 0.000 2.363 208 D HA 0.153 nan 4.640 nan 0.000 0.214 208 D C -0.045 176.145 176.300 -0.184 0.000 1.093 208 D CA 0.626 54.581 54.000 -0.074 0.000 0.837 208 D CB 0.418 41.184 40.800 -0.057 0.000 0.948 208 D HN -0.632 7.601 8.370 -0.118 0.066 0.507 209 N N -0.707 117.748 118.700 -0.409 0.000 2.282 209 N HA 0.105 nan 4.740 nan 0.000 0.240 209 N C -1.929 173.279 175.510 -0.503 0.000 1.182 209 N CA -0.798 51.905 53.050 -0.578 0.000 0.874 209 N CB 0.979 38.781 38.487 -1.142 0.000 1.126 209 N HN -0.242 7.688 8.380 -0.483 0.161 0.516 210 F N -1.482 118.398 119.950 -0.116 0.000 2.397 210 F HA 0.400 nan 4.527 nan 0.000 0.331 210 F C 0.256 176.081 175.800 0.042 0.000 1.090 210 F CA -0.926 57.071 58.000 -0.005 0.000 1.065 210 F CB 1.529 40.516 39.000 -0.021 0.000 1.184 210 F HN -0.805 7.422 8.300 -0.013 0.066 0.499 211 L N 1.817 123.246 121.223 0.344 0.000 2.514 211 L HA -0.144 nan 4.340 nan 0.000 0.280 211 L C -0.826 176.164 176.870 0.199 0.000 1.223 211 L CA 0.279 55.244 54.840 0.208 0.000 0.864 211 L CB 0.706 42.889 42.059 0.206 0.000 1.118 211 L HN 0.401 8.816 8.230 0.460 0.090 0.494 212 D N 5.955 126.400 120.400 0.074 0.000 2.401 212 D HA 0.077 nan 4.640 nan 0.000 0.254 212 D C -0.008 176.260 176.300 -0.054 0.000 1.192 212 D CA -2.138 51.884 54.000 0.036 0.000 0.885 212 D CB 0.273 41.074 40.800 0.002 0.000 1.147 212 D HN 0.085 8.478 8.370 0.037 0.000 0.478 213 P HA -0.149 nan 4.420 nan 0.000 0.221 213 P C 0.616 177.808 177.300 -0.179 0.000 1.145 213 P CA 1.742 64.650 63.100 -0.320 0.000 0.795 213 P CB 0.145 31.686 31.700 -0.264 0.000 0.775 214 N N -0.651 117.995 118.700 -0.091 0.000 2.459 214 N HA -0.112 nan 4.740 nan 0.000 0.181 214 N C 0.642 176.116 175.510 -0.059 0.000 1.046 214 N CA 1.735 54.748 53.050 -0.061 0.000 0.904 214 N CB -0.230 38.234 38.487 -0.037 0.000 0.964 214 N HN -0.458 8.039 8.380 -0.065 -0.155 0.444 215 K N -2.697 117.661 120.400 -0.071 0.000 2.358 215 K HA 0.102 nan 4.320 nan 0.000 0.200 215 K C -1.602 174.961 176.600 -0.063 0.000 1.030 215 K CA -0.324 55.925 56.287 -0.063 0.000 1.097 215 K CB 0.780 33.241 32.500 -0.065 0.000 0.862 215 K HN -0.076 7.927 8.250 -0.082 0.197 0.534 216 A N -2.155 120.614 122.820 -0.086 0.000 2.284 216 A HA 0.394 nan 4.320 nan 0.000 0.317 216 A C -0.907 176.678 177.584 0.001 0.000 1.120 216 A CA -2.156 49.853 52.037 -0.046 0.000 0.900 216 A CB 1.705 20.611 19.000 -0.157 0.000 1.319 216 A HN -0.756 7.142 8.150 -0.127 0.176 0.494 217 S N -0.789 114.977 115.700 0.109 0.000 2.549 217 S HA -0.098 nan 4.470 nan 0.000 0.286 217 S C 1.697 176.360 174.600 0.106 0.000 1.314 217 S CA -0.091 58.210 58.200 0.168 0.000 1.062 217 S CB 0.662 64.089 63.200 0.377 0.000 0.865 217 S HN -0.102 8.311 8.310 0.172 0.000 0.498 218 S N 7.828 123.569 115.700 0.067 0.000 2.507 218 S HA -0.171 nan 4.470 nan 0.000 0.235 218 S C 1.384 176.006 174.600 0.036 0.000 0.988 218 S CA 2.473 60.687 58.200 0.024 0.000 0.944 218 S CB -0.232 62.971 63.200 0.004 0.000 0.762 218 S HN 0.538 8.891 8.310 0.071 0.000 0.526 219 L N 0.532 121.795 121.223 0.066 0.000 2.313 219 L HA -0.153 nan 4.340 nan 0.000 0.214 219 L C 0.668 177.682 176.870 0.240 0.000 1.119 219 L CA 2.070 56.929 54.840 0.031 0.000 0.809 219 L CB -0.173 41.713 42.059 -0.288 0.000 0.933 219 L HN -0.595 7.644 8.230 0.111 0.058 0.449 220 L N -3.928 117.453 121.223 0.264 0.000 2.141 220 L HA -0.351 nan 4.340 nan 0.000 0.209 220 L C 1.176 178.155 176.870 0.181 0.000 1.094 220 L CA 3.103 58.111 54.840 0.281 0.000 0.763 220 L CB -0.159 41.968 42.059 0.112 0.000 0.908 220 L HN -0.560 7.778 8.230 0.228 0.030 0.437 221 S N -2.908 112.834 115.700 0.070 0.000 2.942 221 S HA -0.110 nan 4.470 nan 0.000 0.220 221 S C 1.964 176.614 174.600 0.083 0.000 0.945 221 S CA 2.058 60.298 58.200 0.067 0.000 0.851 221 S CB 0.151 63.332 63.200 -0.031 0.000 0.820 221 S HN -0.516 7.796 8.310 0.035 0.019 0.624 222 S N 3.212 118.937 115.700 0.041 0.000 2.356 222 S HA -0.176 nan 4.470 nan 0.000 0.223 222 S C 0.708 175.330 174.600 0.036 0.000 1.032 222 S CA 2.875 61.090 58.200 0.025 0.000 1.005 222 S CB 0.601 63.797 63.200 -0.007 0.000 0.867 222 S HN -0.372 7.948 8.310 0.017 0.000 0.449 223 G N -1.582 107.239 108.800 0.036 0.000 2.355 223 G HA2 -0.195 nan 3.960 nan 0.000 0.619 223 G HA3 -0.195 nan 3.960 nan 0.000 0.619 223 G C -2.429 172.377 174.900 -0.157 0.000 1.337 223 G CA -0.552 44.543 45.100 -0.008 0.000 0.993 223 G HN -0.818 7.497 8.290 0.043 0.000 0.599 224 F N 0.391 119.990 119.950 -0.585 0.000 2.495 224 F HA 0.433 nan 4.527 nan 0.000 0.327 224 F C -2.047 173.500 175.800 -0.422 0.000 1.103 224 F CA -2.228 55.360 58.000 -0.686 0.000 0.949 224 F CB 3.543 41.691 39.000 -1.420 0.000 1.142 224 F HN 0.042 8.114 8.300 -0.379 0.000 0.457 225 S N 8.232 123.227 115.700 -1.175 0.000 2.448 225 S HA 0.358 nan 4.470 nan 0.000 0.320 225 S C -2.280 171.509 174.600 -1.351 0.000 1.071 225 S CA -2.660 54.984 58.200 -0.927 0.000 1.113 225 S CB 0.605 63.490 63.200 -0.525 0.000 0.972 225 S HN 0.299 7.969 8.310 -1.067 0.000 0.465 226 P HA 0.063 nan 4.420 nan 0.000 0.274 226 P C -2.103 174.622 177.300 -0.958 0.000 1.237 226 P CA -0.111 62.275 63.100 -1.191 0.000 0.793 226 P CB 0.735 31.957 31.700 -0.796 0.000 0.977 227 D N -0.982 118.693 120.400 -1.208 0.000 3.036 227 D HA 0.099 nan 4.640 nan 0.000 0.244 227 D C -1.426 174.511 176.300 -0.604 0.000 1.337 227 D CA -0.209 53.399 54.000 -0.654 0.000 0.829 227 D CB 0.618 41.180 40.800 -0.396 0.000 1.478 227 D HN -0.199 6.933 8.370 -2.063 0.000 0.570 228 F N 0.257 119.963 119.950 -0.407 0.000 2.538 228 F HA 0.625 nan 4.527 nan 0.000 0.325 228 F C -1.784 173.801 175.800 -0.359 0.000 1.066 228 F CA -2.332 55.248 58.000 -0.700 0.000 0.946 228 F CB 3.649 41.666 39.000 -1.639 0.000 1.199 228 F HN -0.426 7.490 8.300 -0.639 0.000 0.473 229 A N 0.395 123.248 122.820 0.056 0.000 2.356 229 A HA 0.763 nan 4.320 nan 0.000 0.310 229 A C -2.028 175.806 177.584 0.417 0.000 1.075 229 A CA -1.242 50.925 52.037 0.217 0.000 0.746 229 A CB 2.568 21.702 19.000 0.222 0.000 1.221 229 A HN 1.009 9.198 8.150 0.065 0.000 0.443 230 T N 4.960 119.727 114.554 0.355 0.000 2.824 230 T HA 0.538 nan 4.350 nan 0.000 0.282 230 T C -1.599 173.223 174.700 0.204 0.000 0.993 230 T CA -0.547 61.781 62.100 0.381 0.000 0.967 230 T CB 2.060 71.159 68.868 0.386 0.000 0.960 230 T HN 0.168 8.556 8.240 0.247 0.000 0.441 231 V N 6.781 126.791 119.914 0.159 0.000 2.394 231 V HA 0.806 nan 4.120 nan 0.000 0.282 231 V C -1.379 174.781 176.094 0.110 0.000 1.031 231 V CA -1.017 61.337 62.300 0.091 0.000 0.881 231 V CB 0.898 32.744 31.823 0.038 0.000 0.982 231 V HN 0.935 9.108 8.190 0.172 0.120 0.451 232 I N 8.533 129.180 120.570 0.128 0.000 2.406 232 I HA 0.635 nan 4.170 nan 0.000 0.290 232 I C -1.331 174.915 176.117 0.215 0.000 0.999 232 I CA -1.193 60.217 61.300 0.183 0.000 1.124 232 I CB 2.722 40.864 38.000 0.237 0.000 1.289 232 I HN 0.931 9.205 8.210 0.107 0.000 0.441 233 T N 4.273 118.893 114.554 0.110 0.000 2.929 233 T HA 0.761 nan 4.350 nan 0.000 0.284 233 T C -1.861 172.719 174.700 -0.200 0.000 1.014 233 T CA -2.698 59.409 62.100 0.012 0.000 1.051 233 T CB 2.023 70.907 68.868 0.027 0.000 1.028 233 T HN 0.934 9.229 8.240 0.091 0.000 0.485 234 M N 1.324 120.668 119.600 -0.427 0.000 2.378 234 M HA 0.320 nan 4.480 nan 0.000 0.289 234 M C -2.501 173.558 176.300 -0.401 0.000 1.136 234 M CA -1.469 53.426 55.300 -0.675 0.000 0.917 234 M CB 4.351 35.907 32.600 -1.739 0.000 1.669 234 M HN 0.218 8.326 8.290 -0.303 0.000 0.461 235 D N 4.304 124.530 120.400 -0.290 0.000 2.351 235 D HA 0.070 nan 4.640 nan 0.000 0.251 235 D C 0.983 177.182 176.300 -0.168 0.000 1.137 235 D CA 0.176 54.070 54.000 -0.177 0.000 0.879 235 D CB 1.131 41.854 40.800 -0.128 0.000 1.181 235 D HN 0.349 8.543 8.370 -0.293 0.000 0.448 236 R N 5.283 125.719 120.500 -0.106 0.000 2.120 236 R HA -0.231 nan 4.340 nan 0.000 0.234 236 R C 1.242 177.511 176.300 -0.052 0.000 1.123 236 R CA 2.397 58.458 56.100 -0.065 0.000 0.975 236 R CB 0.039 30.322 30.300 -0.028 0.000 0.866 236 R HN 0.420 8.636 8.270 -0.089 0.000 0.446 237 K N -3.494 116.874 120.400 -0.053 0.000 2.487 237 K HA -0.002 nan 4.320 nan 0.000 0.192 237 K C -0.348 176.227 176.600 -0.042 0.000 1.027 237 K CA -0.884 55.380 56.287 -0.038 0.000 1.054 237 K CB -0.347 32.134 32.500 -0.033 0.000 0.824 237 K HN -0.586 7.819 8.250 -0.060 -0.191 0.510 238 A N 0.727 123.509 122.820 -0.063 0.000 2.483 238 A HA -0.052 nan 4.320 nan 0.000 0.238 238 A C 0.148 177.714 177.584 -0.030 0.000 1.070 238 A CA 0.699 52.701 52.037 -0.057 0.000 0.770 238 A CB 0.334 19.276 19.000 -0.096 0.000 1.008 238 A HN -0.543 7.378 8.150 -0.086 0.178 0.497 239 S N -0.470 115.220 115.700 -0.016 0.000 2.414 239 S HA -0.208 nan 4.470 nan 0.000 0.227 239 S C -0.761 173.847 174.600 0.014 0.000 1.022 239 S CA 1.487 59.687 58.200 -0.000 0.000 0.958 239 S CB -0.038 63.163 63.200 0.001 0.000 0.797 239 S HN 0.320 8.619 8.310 -0.019 0.000 0.493 240 K N 1.404 121.814 120.400 0.018 0.000 2.316 240 K HA 0.142 nan 4.320 nan 0.000 0.267 240 K C -0.802 175.841 176.600 0.071 0.000 1.025 240 K CA -0.917 55.397 56.287 0.046 0.000 0.896 240 K CB -0.109 32.421 32.500 0.050 0.000 1.124 240 K HN -0.301 7.951 8.250 0.005 0.000 0.451 241 Q N 3.262 123.130 119.800 0.114 0.000 2.225 241 Q HA 0.143 nan 4.340 nan 0.000 0.259 241 Q C -1.180 175.042 176.000 0.370 0.000 0.872 241 Q CA -0.799 55.135 55.803 0.219 0.000 1.042 241 Q CB 0.696 29.538 28.738 0.173 0.000 1.142 241 Q HN 0.430 8.757 8.270 0.095 0.000 0.463 242 Q N -2.714 117.257 119.800 0.286 0.000 2.323 242 Q HA 0.570 nan 4.340 nan 0.000 0.271 242 Q C -1.084 175.063 176.000 0.245 0.000 1.048 242 Q CA -1.242 54.691 55.803 0.215 0.000 0.792 242 Q CB 2.553 31.356 28.738 0.109 0.000 1.280 242 Q HN -0.505 7.803 8.270 0.215 0.091 0.441 243 T N 5.164 119.858 114.554 0.234 0.000 2.921 243 T HA 0.313 nan 4.350 nan 0.000 0.297 243 T C -1.376 173.407 174.700 0.138 0.000 1.013 243 T CA -0.555 61.687 62.100 0.238 0.000 0.990 243 T CB 2.653 71.790 68.868 0.449 0.000 1.023 243 T HN 0.624 8.848 8.240 0.150 0.106 0.447 244 N N 5.870 124.641 118.700 0.118 0.000 2.509 244 N HA 0.783 nan 4.740 nan 0.000 0.287 244 N C -1.449 174.128 175.510 0.112 0.000 1.121 244 N CA -0.149 52.959 53.050 0.096 0.000 0.977 244 N CB 2.198 40.729 38.487 0.073 0.000 1.167 244 N HN 0.039 8.766 8.380 0.121 -0.274 0.476 245 I N 2.028 122.674 120.570 0.126 0.000 2.644 245 I HA 0.286 nan 4.170 nan 0.000 0.291 245 I C -2.712 173.513 176.117 0.180 0.000 1.180 245 I CA -1.397 59.989 61.300 0.144 0.000 1.040 245 I CB 3.581 41.665 38.000 0.140 0.000 1.255 245 I HN 0.400 8.689 8.210 0.132 0.000 0.422 246 D N 8.553 129.045 120.400 0.154 0.000 2.193 246 D HA 0.640 nan 4.640 nan 0.000 0.244 246 D C -1.597 174.829 176.300 0.211 0.000 1.064 246 D CA -0.399 53.696 54.000 0.159 0.000 0.845 246 D CB 2.578 43.440 40.800 0.103 0.000 1.148 246 D HN 0.043 8.490 8.370 0.130 0.000 0.464 247 V N 2.916 123.001 119.914 0.284 0.000 2.513 247 V HA 0.758 nan 4.120 nan 0.000 0.299 247 V C -1.198 175.085 176.094 0.315 0.000 1.035 247 V CA -1.174 61.322 62.300 0.326 0.000 0.889 247 V CB 2.181 34.261 31.823 0.429 0.000 0.988 247 V HN 0.703 9.069 8.190 0.294 0.000 0.440 248 I N 4.327 125.082 120.570 0.308 0.000 2.439 248 I HA 0.462 nan 4.170 nan 0.000 0.285 248 I C -1.416 174.919 176.117 0.363 0.000 1.021 248 I CA -0.867 60.609 61.300 0.292 0.000 1.091 248 I CB 2.793 40.900 38.000 0.178 0.000 1.242 248 I HN 0.647 9.025 8.210 0.280 0.000 0.439 249 Y N 7.863 128.248 120.300 0.143 0.000 2.335 249 Y HA 0.540 nan 4.550 nan 0.000 0.323 249 Y C -1.428 174.562 175.900 0.150 0.000 1.224 249 Y CA -1.499 56.701 58.100 0.168 0.000 1.241 249 Y CB 2.183 40.730 38.460 0.146 0.000 1.235 249 Y HN 0.803 9.405 8.280 0.536 0.000 0.492 250 E N 0.468 120.837 120.200 0.282 0.000 2.363 250 E HA 0.577 nan 4.350 nan 0.000 0.281 250 E C -2.778 173.939 176.600 0.195 0.000 0.953 250 E CA -1.028 55.491 56.400 0.199 0.000 0.778 250 E CB 4.457 34.243 29.700 0.143 0.000 1.220 250 E HN 0.262 8.795 8.360 0.288 0.000 0.431 251 R N 4.406 124.985 120.500 0.131 0.000 2.513 251 R HA 0.704 nan 4.340 nan 0.000 0.301 251 R C -2.244 174.048 176.300 -0.014 0.000 0.968 251 R CA -1.244 54.890 56.100 0.058 0.000 0.872 251 R CB 3.414 33.772 30.300 0.095 0.000 1.177 251 R HN 0.664 8.892 8.270 0.113 0.110 0.444 252 V N 7.410 127.265 119.914 -0.098 0.000 2.398 252 V HA 0.657 nan 4.120 nan 0.000 0.286 252 V C -1.451 174.538 176.094 -0.174 0.000 1.026 252 V CA -1.120 61.121 62.300 -0.098 0.000 0.868 252 V CB 1.412 33.174 31.823 -0.101 0.000 0.982 252 V HN 0.798 8.888 8.190 -0.167 0.000 0.443 253 R N 5.769 126.209 120.500 -0.099 0.000 2.562 253 R HA 0.695 nan 4.340 nan 0.000 0.298 253 R C -1.397 174.785 176.300 -0.197 0.000 0.961 253 R CA -1.557 54.463 56.100 -0.133 0.000 0.881 253 R CB 3.173 33.531 30.300 0.097 0.000 1.159 253 R HN 0.854 9.121 8.270 -0.006 0.000 0.450 254 D N 2.298 122.370 120.400 -0.547 0.000 2.387 254 D HA 0.477 nan 4.640 nan 0.000 0.255 254 D C -1.567 174.647 176.300 -0.142 0.000 1.081 254 D CA -0.525 53.179 54.000 -0.493 0.000 0.994 254 D CB 2.399 42.723 40.800 -0.792 0.000 1.127 254 D HN 0.562 8.381 8.370 -0.918 0.000 0.513 255 D N -0.442 119.966 120.400 0.012 0.000 2.461 255 D HA 0.317 nan 4.640 nan 0.000 0.240 255 D C -1.740 174.850 176.300 0.483 0.000 1.094 255 D CA -1.533 52.615 54.000 0.247 0.000 0.868 255 D CB 1.347 42.103 40.800 -0.074 0.000 1.062 255 D HN 0.090 8.437 8.370 -0.038 0.000 0.530 256 Y N 7.746 128.375 120.300 0.549 0.000 2.404 256 Y HA 0.331 nan 4.550 nan 0.000 0.344 256 Y C -2.098 174.097 175.900 0.491 0.000 0.970 256 Y CA -1.271 57.151 58.100 0.537 0.000 1.180 256 Y CB 1.535 40.364 38.460 0.616 0.000 1.138 256 Y HN 0.870 9.634 8.280 0.807 0.000 0.510 257 Q N 6.513 126.336 119.800 0.039 0.000 2.282 257 Q HA 0.679 nan 4.340 nan 0.000 0.260 257 Q C -1.798 174.167 176.000 -0.059 0.000 0.964 257 Q CA -1.590 54.281 55.803 0.114 0.000 0.880 257 Q CB 3.206 32.049 28.738 0.175 0.000 1.286 257 Q HN 1.093 9.276 8.270 0.019 0.098 0.445 258 L N 2.596 123.873 121.223 0.091 0.000 2.342 258 L HA 0.834 nan 4.340 nan 0.000 0.271 258 L C -1.965 175.094 176.870 0.315 0.000 1.008 258 L CA -1.087 53.767 54.840 0.023 0.000 0.818 258 L CB 2.738 44.584 42.059 -0.355 0.000 1.296 258 L HN 0.714 9.090 8.230 0.243 0.000 0.427 259 H N -2.439 116.856 119.070 0.375 0.000 3.094 259 H HA 0.438 nan 4.556 nan 0.000 0.346 259 H C -2.621 172.937 175.328 0.385 0.000 1.238 259 H CA -0.985 55.302 56.048 0.399 0.000 1.209 259 H CB 3.155 33.042 29.762 0.208 0.000 1.911 259 H HN 0.455 8.892 8.280 0.263 0.000 0.540 260 W N 5.157 126.401 121.300 -0.093 0.000 2.322 260 W HA -0.021 nan 4.660 nan 0.000 0.307 260 W C -0.782 175.625 176.519 -0.187 0.000 1.220 260 W CA -0.808 56.216 57.345 -0.535 0.000 1.210 260 W CB 1.123 30.122 29.460 -0.769 0.000 1.223 260 W HN -0.184 8.252 8.180 0.426 0.000 0.511 261 T N 2.920 117.097 114.554 -0.627 0.000 3.244 261 T HA 0.224 nan 4.350 nan 0.000 0.254 261 T C 0.940 175.139 174.700 -0.835 0.000 1.024 261 T CA -0.736 61.065 62.100 -0.499 0.000 0.920 261 T CB 0.064 68.714 68.868 -0.363 0.000 1.042 261 T HN 0.687 8.452 8.240 -0.793 0.000 0.572 262 S N -0.945 113.796 115.700 -1.598 0.000 2.298 262 S HA -0.323 nan 4.470 nan 0.000 0.240 262 S C 0.025 173.831 174.600 -1.324 0.000 1.197 262 S CA 3.094 60.458 58.200 -1.393 0.000 1.575 262 S CB -1.194 61.726 63.200 -0.467 0.000 2.016 262 S HN 0.505 7.396 8.310 -2.174 0.114 0.604 263 T N -4.545 109.257 114.554 -1.253 0.000 2.999 263 T HA 0.105 nan 4.350 nan 0.000 0.247 263 T C -0.313 173.925 174.700 -0.770 0.000 1.012 263 T CA 0.215 61.871 62.100 -0.741 0.000 1.048 263 T CB 2.122 70.753 68.868 -0.394 0.000 1.020 263 T HN -0.347 7.073 8.240 -1.167 0.120 0.478 264 N N -0.894 117.236 118.700 -0.950 0.000 3.039 264 N HA 0.280 nan 4.740 nan 0.000 0.257 264 N C -2.267 173.106 175.510 -0.229 0.000 1.497 264 N CA -0.411 52.459 53.050 -0.300 0.000 0.861 264 N CB 1.672 40.219 38.487 0.101 0.000 1.479 264 N HN -0.592 7.144 8.380 -1.073 0.000 0.547 265 W N -1.837 119.621 121.300 0.263 0.000 2.376 265 W HA 0.227 nan 4.660 nan 0.000 0.322 265 W C -0.545 175.984 176.519 0.016 0.000 1.160 265 W CA -0.616 56.825 57.345 0.161 0.000 1.218 265 W CB 1.383 30.922 29.460 0.132 0.000 1.205 265 W HN 0.316 8.736 8.180 0.564 0.098 0.559 266 K N 2.826 123.250 120.400 0.040 0.000 2.324 266 K HA 0.486 nan 4.320 nan 0.000 0.253 266 K C -1.493 175.052 176.600 -0.093 0.000 0.932 266 K CA -1.591 54.606 56.287 -0.150 0.000 0.799 266 K CB 3.609 35.823 32.500 -0.477 0.000 1.154 266 K HN 0.850 9.104 8.250 0.008 0.000 0.425 267 G N 3.184 111.957 108.800 -0.046 0.000 2.495 267 G HA2 0.727 nan 3.960 nan 0.000 0.318 267 G HA3 0.727 nan 3.960 nan 0.000 0.318 267 G C -2.516 172.396 174.900 0.021 0.000 1.257 267 G CA -1.178 43.853 45.100 -0.116 0.000 0.962 267 G HN 0.082 8.331 8.290 -0.068 0.000 0.483 268 T N -2.048 112.494 114.554 -0.021 0.000 2.912 268 T HA 0.407 nan 4.350 nan 0.000 0.299 268 T C -2.065 172.757 174.700 0.203 0.000 1.052 268 T CA -1.849 60.387 62.100 0.227 0.000 0.996 268 T CB 2.956 71.990 68.868 0.276 0.000 1.070 268 T HN 0.687 8.686 8.240 -0.224 0.106 0.465 269 N N 1.523 120.433 118.700 0.349 0.000 2.399 269 N HA 0.385 nan 4.740 nan 0.000 0.280 269 N C -0.849 174.817 175.510 0.260 0.000 1.008 269 N CA -0.795 52.510 53.050 0.425 0.000 0.894 269 N CB 2.191 41.032 38.487 0.591 0.000 1.273 269 N HN 0.187 8.786 8.380 0.366 0.000 0.486 270 T N 9.528 124.189 114.554 0.177 0.000 2.753 270 T HA 0.255 nan 4.350 nan 0.000 0.297 270 T C -0.586 174.095 174.700 -0.031 0.000 0.981 270 T CA -0.614 61.508 62.100 0.037 0.000 0.956 270 T CB 0.840 69.685 68.868 -0.039 0.000 0.936 270 T HN 0.541 8.802 8.240 0.215 0.108 0.463 271 K N 6.078 126.464 120.400 -0.024 0.000 2.355 271 K HA -0.203 nan 4.320 nan 0.000 0.270 271 K C -0.358 176.150 176.600 -0.153 0.000 1.003 271 K CA 1.223 57.466 56.287 -0.074 0.000 0.957 271 K CB 0.322 32.807 32.500 -0.024 0.000 0.939 271 K HN 0.472 8.727 8.250 0.008 0.000 0.482 272 D N 0.756 121.044 120.400 -0.186 0.000 2.720 272 D HA -0.415 nan 4.640 nan 0.000 0.229 272 D C -0.386 175.765 176.300 -0.248 0.000 1.198 272 D CA 1.468 55.357 54.000 -0.184 0.000 0.639 272 D CB -1.666 39.062 40.800 -0.120 0.000 1.003 272 D HN 0.298 8.818 8.370 -0.196 -0.267 0.411 273 K N -2.340 117.821 120.400 -0.399 0.000 2.057 273 K HA -0.080 nan 4.320 nan 0.000 0.206 273 K C 0.256 176.406 176.600 -0.749 0.000 1.050 273 K CA 1.826 57.663 56.287 -0.749 0.000 0.935 273 K CB 0.936 32.633 32.500 -1.338 0.000 0.715 273 K HN -0.097 7.926 8.250 -0.379 0.000 0.439 274 W N -2.983 118.229 121.300 -0.146 0.000 2.962 274 W HA 0.211 nan 4.660 nan 0.000 0.341 274 W C -1.702 174.750 176.519 -0.112 0.000 1.155 274 W CA -0.849 56.420 57.345 -0.126 0.000 1.165 274 W CB 3.126 32.495 29.460 -0.151 0.000 1.435 274 W HN -0.273 7.844 8.180 -0.104 0.000 0.546 275 T N 2.764 117.416 114.554 0.164 0.000 2.965 275 T HA 0.297 nan 4.350 nan 0.000 0.306 275 T C -1.645 173.097 174.700 0.070 0.000 0.991 275 T CA -0.292 61.855 62.100 0.079 0.000 1.001 275 T CB 2.289 71.182 68.868 0.043 0.000 0.984 275 T HN 0.174 8.532 8.240 0.197 0.000 0.446 276 D N 7.875 128.310 120.400 0.057 0.000 2.359 276 D HA 0.278 nan 4.640 nan 0.000 0.230 276 D C -1.599 174.743 176.300 0.070 0.000 1.118 276 D CA -0.436 53.593 54.000 0.047 0.000 0.844 276 D CB 1.473 42.294 40.800 0.035 0.000 1.059 276 D HN 0.524 8.926 8.370 0.054 0.000 0.493 277 R N 4.246 124.783 120.500 0.062 0.000 2.387 277 R HA 0.416 nan 4.340 nan 0.000 0.314 277 R C -1.213 175.131 176.300 0.073 0.000 0.958 277 R CA -0.971 55.177 56.100 0.080 0.000 0.846 277 R CB 1.830 32.169 30.300 0.066 0.000 1.147 277 R HN 0.229 8.527 8.270 0.046 0.000 0.447 278 S N 6.232 121.996 115.700 0.107 0.000 2.601 278 S HA 0.212 nan 4.470 nan 0.000 0.312 278 S C -1.903 172.759 174.600 0.104 0.000 1.107 278 S CA -1.334 56.911 58.200 0.075 0.000 1.129 278 S CB 0.722 63.957 63.200 0.059 0.000 0.982 278 S HN 0.768 9.170 8.310 0.154 0.000 0.469 279 S N 5.400 121.138 115.700 0.064 0.000 2.549 279 S HA 0.644 nan 4.470 nan 0.000 0.297 279 S C -1.416 173.197 174.600 0.023 0.000 1.115 279 S CA -1.364 56.879 58.200 0.072 0.000 1.059 279 S CB 1.643 64.877 63.200 0.057 0.000 1.046 279 S HN 0.391 8.723 8.310 0.037 0.000 0.506 280 E N 2.507 122.722 120.200 0.026 0.000 2.390 280 E HA 0.202 nan 4.350 nan 0.000 0.280 280 E C -2.722 173.800 176.600 -0.131 0.000 0.992 280 E CA -0.533 55.813 56.400 -0.090 0.000 0.790 280 E CB 3.943 33.546 29.700 -0.162 0.000 1.248 280 E HN 0.219 8.631 8.360 0.087 0.000 0.447 281 R N 3.600 123.952 120.500 -0.247 0.000 2.514 281 R HA 0.691 nan 4.340 nan 0.000 0.301 281 R C -1.453 174.618 176.300 -0.382 0.000 0.962 281 R CA -0.901 55.085 56.100 -0.190 0.000 0.882 281 R CB 1.881 32.136 30.300 -0.076 0.000 1.143 281 R HN 0.257 8.374 8.270 -0.255 0.000 0.452 282 Y N 4.696 125.002 120.300 0.011 0.000 2.562 282 Y HA 0.412 nan 4.550 nan 0.000 0.343 282 Y C -2.070 173.816 175.900 -0.023 0.000 1.025 282 Y CA -1.553 56.540 58.100 -0.012 0.000 1.082 282 Y CB 4.770 43.216 38.460 -0.024 0.000 1.264 282 Y HN 0.677 9.054 8.280 0.162 0.000 0.478 283 K N 0.970 121.444 120.400 0.123 0.000 2.292 283 K HA 0.719 nan 4.320 nan 0.000 0.257 283 K C -1.419 175.167 176.600 -0.023 0.000 0.940 283 K CA -1.539 54.774 56.287 0.043 0.000 0.811 283 K CB 3.084 35.596 32.500 0.021 0.000 1.120 283 K HN 0.594 8.818 8.250 0.140 0.110 0.428 284 I N 5.611 126.143 120.570 -0.064 0.000 2.354 284 I HA 0.324 nan 4.170 nan 0.000 0.292 284 I C -1.740 174.243 176.117 -0.223 0.000 0.989 284 I CA -0.740 60.433 61.300 -0.211 0.000 1.188 284 I CB 1.494 39.288 38.000 -0.343 0.000 1.342 284 I HN 0.888 8.986 8.210 -0.008 0.107 0.457 285 D N 7.349 127.582 120.400 -0.278 0.000 2.460 285 D HA 0.252 nan 4.640 nan 0.000 0.232 285 D C 0.176 176.290 176.300 -0.310 0.000 1.079 285 D CA -2.107 51.772 54.000 -0.202 0.000 0.864 285 D CB 0.313 41.015 40.800 -0.163 0.000 1.048 285 D HN -0.073 8.117 8.370 -0.300 0.000 0.523 286 W N 5.114 126.387 121.300 -0.046 0.000 2.425 286 W HA -0.357 nan 4.660 nan 0.000 0.277 286 W C 1.740 178.183 176.519 -0.128 0.000 1.231 286 W CA 3.009 60.324 57.345 -0.049 0.000 1.248 286 W CB 0.198 29.694 29.460 0.060 0.000 1.117 286 W HN 0.764 9.054 8.180 0.184 0.000 0.568 287 E N -2.124 118.123 120.200 0.078 0.000 2.051 287 E HA -0.212 nan 4.350 nan 0.000 0.189 287 E C 1.506 178.064 176.600 -0.071 0.000 0.979 287 E CA 2.291 58.702 56.400 0.018 0.000 0.803 287 E CB -0.336 29.381 29.700 0.028 0.000 0.761 287 E HN -0.529 8.012 8.360 0.092 -0.126 0.451 288 K N -2.553 117.771 120.400 -0.127 0.000 2.400 288 K HA -0.041 nan 4.320 nan 0.000 0.194 288 K C -0.211 176.217 176.600 -0.286 0.000 1.033 288 K CA -0.162 56.031 56.287 -0.155 0.000 1.021 288 K CB 0.826 33.255 32.500 -0.118 0.000 0.808 288 K HN -0.688 7.753 8.250 -0.117 -0.262 0.505 289 E N -2.877 117.000 120.200 -0.539 0.000 2.252 289 E HA -0.350 nan 4.350 nan 0.000 0.199 289 E C -1.857 174.216 176.600 -0.878 0.000 1.352 289 E CA 0.996 56.713 56.400 -1.139 0.000 0.682 289 E CB -1.642 27.620 29.700 -0.729 0.000 1.142 289 E HN -0.290 7.741 8.360 -0.468 0.048 0.367 290 E N -5.090 114.694 120.200 -0.693 0.000 2.352 290 E HA 0.294 nan 4.350 nan 0.000 0.280 290 E C -2.273 174.143 176.600 -0.307 0.000 0.930 290 E CA -1.794 54.455 56.400 -0.251 0.000 0.765 290 E CB 3.154 32.802 29.700 -0.086 0.000 1.219 290 E HN -0.533 7.379 8.360 -0.747 0.000 0.434 291 M N 2.564 121.835 119.600 -0.548 0.000 2.404 291 M HA 0.582 nan 4.480 nan 0.000 0.338 291 M C -0.613 175.619 176.300 -0.113 0.000 1.150 291 M CA -0.331 54.693 55.300 -0.459 0.000 1.016 291 M CB 2.533 34.603 32.600 -0.883 0.000 1.672 291 M HN 0.088 7.881 8.290 -0.828 0.000 0.448 292 T N -0.863 113.705 114.554 0.023 0.000 2.812 292 T HA 0.575 nan 4.350 nan 0.000 0.294 292 T C -2.508 172.306 174.700 0.189 0.000 1.159 292 T CA -1.692 60.477 62.100 0.114 0.000 1.008 292 T CB 3.030 71.927 68.868 0.048 0.000 1.289 292 T HN 0.819 9.067 8.240 0.013 0.000 0.514 293 N N 0.000 118.760 118.700 0.100 0.000 1.763 293 N HA 0.000 nan 4.740 nan 0.000 0.220 293 N CA 0.000 53.005 53.050 -0.076 0.000 0.885 293 N CB 0.000 38.292 38.487 -0.325 0.000 1.341 293 N HN 0.000 8.435 8.380 0.092 0.000 0.667