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 1alh_1_A DATA FIRST_RESID 4 DATA SEQUENCE MPVLENRAAQ GDITAPGGAR RLTGDQTAAL RDSLSDKPAK NIILLIGDGM DATA SEQUENCE GDSEITAARN YAEGAGGFFK GIDALPLTGQ YTHYALNKKT GKPDYVTDSA DATA SEQUENCE ASATAWSTGV KTYNGALGVD IHEKDHPTIL EMAKAAGLAT GNVSTAELQD DATA SEQUENCE ATPAALVAHV TSRKcYGPSA TSEKcPGNAL EKGGKGSITE QLLNARADVT DATA SEQUENCE LGGGAKTFAE TATAGEWQGK TLREQAEARG YQLVSDAASL NSVTEANQQK DATA SEQUENCE PLLGLFADGN MPVRWLGPKA TYHGNIDKPA VTcTPNPQRN DSVPTLAQMT DATA SEQUENCE DKAIELLSKN EKGFFLQVEG ASIDKQDHAA NPcGQIGETV DLDEAVQRAL DATA SEQUENCE EFAKKEGNTL VIVTANHAHA SQIVAPDTKA PGLTQALNTK DGAVMVMSYG DATA SEQUENCE NSEEDSQEHT GSQLRIAAYG PHAANVVGLT DQTDLFYTMK AALGLK 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 4 M HA 0.000 nan 4.480 nan 0.000 0.227 4 M C 0.000 176.466 176.300 0.277 0.000 1.140 4 M CA 0.000 55.365 55.300 0.109 0.000 0.988 4 M CB 0.000 32.555 32.600 -0.075 0.000 1.302 5 P HA 0.165 nan 4.420 nan 0.000 0.271 5 P C -1.470 175.937 177.300 0.178 0.000 1.216 5 P CA -0.179 63.009 63.100 0.148 0.000 0.771 5 P CB 0.256 32.005 31.700 0.082 0.000 0.864 6 V N 2.232 122.165 119.914 0.031 0.000 2.716 6 V HA 0.207 nan 4.120 nan 0.000 0.304 6 V C 0.095 176.203 176.094 0.023 0.000 1.053 6 V CA -1.331 60.927 62.300 -0.071 0.000 0.984 6 V CB 1.654 33.336 31.823 -0.235 0.000 1.021 6 V HN 0.143 8.340 8.190 0.013 0.000 0.467 7 L N 5.892 127.159 121.223 0.073 0.000 2.456 7 L HA -0.132 nan 4.340 nan 0.000 0.277 7 L C 0.152 177.102 176.870 0.133 0.000 1.124 7 L CA 0.048 54.946 54.840 0.097 0.000 0.880 7 L CB -1.065 41.094 42.059 0.167 0.000 1.192 7 L HN 0.268 8.544 8.230 0.077 0.000 0.463 8 E N 4.362 124.575 120.200 0.022 0.000 2.112 8 E HA -0.116 nan 4.350 nan 0.000 0.190 8 E C -0.509 176.053 176.600 -0.062 0.000 0.979 8 E CA 1.223 57.641 56.400 0.030 0.000 0.814 8 E CB 0.576 30.271 29.700 -0.009 0.000 0.762 8 E HN 0.427 8.777 8.360 -0.017 0.000 0.460 9 N N -1.176 117.312 118.700 -0.353 0.000 2.697 9 N HA -0.000 nan 4.740 nan 0.000 0.271 9 N C -1.975 173.051 175.510 -0.806 0.000 1.149 9 N CA 0.193 52.823 53.050 -0.701 0.000 0.939 9 N CB 1.223 39.530 38.487 -0.300 0.000 1.534 9 N HN -0.262 7.954 8.380 -0.274 0.000 0.556 10 R N 3.262 122.901 120.500 -1.435 0.000 2.903 10 R HA 0.163 nan 4.340 nan 0.000 0.363 10 R C -1.117 174.945 176.300 -0.397 0.000 1.161 10 R CA -1.096 54.609 56.100 -0.657 0.000 1.109 10 R CB -0.105 29.982 30.300 -0.356 0.000 1.399 10 R HN 0.274 6.644 8.270 -3.166 0.000 0.587 11 A N -0.795 121.818 122.820 -0.346 0.000 2.271 11 A HA 0.531 nan 4.320 nan 0.000 0.288 11 A C -0.963 176.572 177.584 -0.081 0.000 1.094 11 A CA -1.640 50.342 52.037 -0.092 0.000 0.828 11 A CB 1.176 20.151 19.000 -0.042 0.000 1.091 11 A HN 0.054 8.237 8.150 -0.415 -0.282 0.493 12 A N 0.901 123.698 122.820 -0.039 0.000 2.545 12 A HA -0.177 nan 4.320 nan 0.000 0.253 12 A C 0.331 177.888 177.584 -0.044 0.000 1.074 12 A CA 0.577 52.593 52.037 -0.036 0.000 0.760 12 A CB 0.133 19.119 19.000 -0.023 0.000 1.005 12 A HN 0.175 8.202 8.150 -0.020 0.111 0.506 13 Q N 3.403 123.175 119.800 -0.047 0.000 2.437 13 Q HA -0.097 nan 4.340 nan 0.000 0.210 13 Q C 0.524 176.503 176.000 -0.035 0.000 0.972 13 Q CA 0.692 56.467 55.803 -0.047 0.000 0.903 13 Q CB 0.418 29.127 28.738 -0.047 0.000 0.967 13 Q HN 0.577 8.820 8.270 -0.045 0.000 0.486 14 G N -0.958 107.825 108.800 -0.028 0.000 3.008 14 G HA2 0.024 nan 3.960 nan 0.000 0.148 14 G HA3 0.024 nan 3.960 nan 0.000 0.148 14 G C -2.569 172.319 174.900 -0.020 0.000 1.184 14 G CA -0.019 45.067 45.100 -0.023 0.000 1.087 14 G HN -0.199 8.026 8.290 -0.028 0.047 0.602 15 D N 1.249 121.639 120.400 -0.018 0.000 2.316 15 D HA 0.145 nan 4.640 nan 0.000 0.245 15 D C 1.583 177.874 176.300 -0.015 0.000 1.171 15 D CA -1.334 52.656 54.000 -0.016 0.000 0.856 15 D CB 0.169 40.961 40.800 -0.014 0.000 1.090 15 D HN -0.130 8.229 8.370 -0.017 0.000 0.476 16 I N 4.959 125.520 120.570 -0.015 0.000 2.399 16 I HA -0.347 nan 4.170 nan 0.000 0.254 16 I C 0.684 176.794 176.117 -0.012 0.000 1.146 16 I CA 1.923 63.215 61.300 -0.014 0.000 1.412 16 I CB -0.998 36.994 38.000 -0.015 0.000 1.076 16 I HN 0.451 8.652 8.210 -0.017 0.000 0.432 17 T N -6.708 107.839 114.554 -0.012 0.000 3.065 17 T HA 0.060 nan 4.350 nan 0.000 0.252 17 T C 0.322 175.017 174.700 -0.009 0.000 1.099 17 T CA -0.084 62.010 62.100 -0.010 0.000 1.063 17 T CB 0.727 69.588 68.868 -0.010 0.000 0.948 17 T HN -0.682 7.756 8.240 -0.012 -0.206 0.506 18 A N 2.872 125.686 122.820 -0.010 0.000 2.282 18 A HA 0.468 nan 4.320 nan 0.000 0.319 18 A C -2.603 174.975 177.584 -0.009 0.000 1.121 18 A CA -2.575 49.456 52.037 -0.010 0.000 0.836 18 A CB -0.344 18.650 19.000 -0.011 0.000 1.146 18 A HN -0.245 7.731 8.150 -0.011 0.168 0.494 19 P HA -0.193 nan 4.420 nan 0.000 0.261 19 P C 0.262 177.556 177.300 -0.010 0.000 1.183 19 P CA 1.230 64.325 63.100 -0.008 0.000 0.761 19 P CB 0.013 31.709 31.700 -0.007 0.000 0.785 20 G N 5.375 114.169 108.800 -0.010 0.000 2.189 20 G HA2 -0.265 nan 3.960 nan 0.000 0.267 20 G HA3 -0.265 nan 3.960 nan 0.000 0.267 20 G C 1.366 176.257 174.900 -0.015 0.000 0.975 20 G CA 0.560 45.653 45.100 -0.012 0.000 0.644 20 G HN 0.210 8.495 8.290 -0.009 0.000 0.537 21 G N 0.470 109.262 108.800 -0.014 0.000 2.471 21 G HA2 -0.306 nan 3.960 nan 0.000 0.219 21 G HA3 -0.306 nan 3.960 nan 0.000 0.219 21 G C -0.657 174.232 174.900 -0.018 0.000 1.125 21 G CA 1.300 46.390 45.100 -0.017 0.000 0.775 21 G HN 0.049 8.155 8.290 -0.012 0.177 0.548 22 A N -1.575 121.235 122.820 -0.016 0.000 2.275 22 A HA 0.151 nan 4.320 nan 0.000 0.212 22 A C 0.024 177.598 177.584 -0.017 0.000 1.201 22 A CA -1.054 50.974 52.037 -0.015 0.000 0.843 22 A CB -0.345 18.649 19.000 -0.010 0.000 0.873 22 A HN 0.038 8.147 8.150 -0.013 0.033 0.492 23 R N -0.493 119.995 120.500 -0.020 0.000 2.623 23 R HA -0.177 nan 4.340 nan 0.000 0.271 23 R C 0.821 177.100 176.300 -0.034 0.000 1.043 23 R CA 0.743 56.829 56.100 -0.022 0.000 1.083 23 R CB 0.304 30.590 30.300 -0.023 0.000 0.974 23 R HN -0.661 7.421 8.270 -0.019 0.176 0.436 24 R N 1.219 121.698 120.500 -0.035 0.000 2.334 24 R HA -0.029 nan 4.340 nan 0.000 0.212 24 R C -0.629 175.628 176.300 -0.072 0.000 0.897 24 R CA 0.603 56.667 56.100 -0.060 0.000 1.056 24 R CB 0.618 30.892 30.300 -0.043 0.000 1.046 24 R HN 0.309 8.565 8.270 -0.024 0.000 0.513 25 L N -2.108 119.086 121.223 -0.048 0.000 2.331 25 L HA 0.256 nan 4.340 nan 0.000 0.275 25 L C 0.305 177.150 176.870 -0.042 0.000 1.022 25 L CA -0.976 53.837 54.840 -0.045 0.000 0.812 25 L CB 1.726 43.769 42.059 -0.026 0.000 1.257 25 L HN -0.770 7.381 8.230 -0.037 0.057 0.435 26 T N -2.764 111.765 114.554 -0.042 0.000 2.985 26 T HA 0.252 nan 4.350 nan 0.000 0.254 26 T C 0.820 175.505 174.700 -0.026 0.000 1.021 26 T CA -0.321 61.757 62.100 -0.036 0.000 0.957 26 T CB 0.755 69.598 68.868 -0.042 0.000 1.047 26 T HN 0.698 8.910 8.240 -0.045 0.000 0.511 27 G N 1.303 110.089 108.800 -0.022 0.000 2.561 27 G HA2 0.023 nan 3.960 nan 0.000 0.310 27 G HA3 0.023 nan 3.960 nan 0.000 0.310 27 G C -2.626 172.267 174.900 -0.012 0.000 1.292 27 G CA 0.231 45.322 45.100 -0.016 0.000 0.811 27 G HN -0.618 7.657 8.290 -0.025 0.000 0.482 28 D N -0.318 120.077 120.400 -0.009 0.000 2.350 28 D HA 0.032 nan 4.640 nan 0.000 0.249 28 D C 0.968 177.266 176.300 -0.004 0.000 1.119 28 D CA 0.016 54.013 54.000 -0.005 0.000 0.886 28 D CB 1.165 41.962 40.800 -0.004 0.000 1.195 28 D HN -0.102 8.262 8.370 -0.009 0.000 0.437 29 Q N 3.954 123.753 119.800 -0.001 0.000 2.360 29 Q HA 0.143 nan 4.340 nan 0.000 0.202 29 Q C 1.082 177.085 176.000 0.004 0.000 0.915 29 Q CA 0.552 56.356 55.803 0.002 0.000 0.943 29 Q CB 0.104 28.845 28.738 0.005 0.000 1.064 29 Q HN 0.463 8.733 8.270 -0.001 0.000 0.511 30 T N 3.244 117.800 114.554 0.002 0.000 2.699 30 T HA -0.348 nan 4.350 nan 0.000 0.268 30 T C 1.069 175.770 174.700 0.002 0.000 1.036 30 T CA 4.482 66.584 62.100 0.002 0.000 1.147 30 T CB -0.508 68.360 68.868 0.001 0.000 0.862 30 T HN -0.379 8.090 8.240 0.001 -0.228 0.446 31 A N 0.045 122.865 122.820 0.001 0.000 1.898 31 A HA -0.262 nan 4.320 nan 0.000 0.216 31 A C 1.200 178.786 177.584 0.004 0.000 1.181 31 A CA 3.054 55.092 52.037 0.001 0.000 0.620 31 A CB -0.874 18.126 19.000 -0.000 0.000 0.819 31 A HN 0.250 8.400 8.150 0.000 0.000 0.442 32 A N -1.402 121.423 122.820 0.007 0.000 1.902 32 A HA -0.253 nan 4.320 nan 0.000 0.217 32 A C 2.122 179.717 177.584 0.019 0.000 1.181 32 A CA 2.709 54.755 52.037 0.015 0.000 0.623 32 A CB -0.694 18.316 19.000 0.017 0.000 0.818 32 A HN -0.216 7.937 8.150 0.005 0.000 0.443 33 L N -2.429 118.803 121.223 0.015 0.000 2.046 33 L HA -0.325 nan 4.340 nan 0.000 0.208 33 L C 2.866 179.737 176.870 0.002 0.000 1.077 33 L CA 2.937 57.785 54.840 0.013 0.000 0.747 33 L CB -0.337 41.729 42.059 0.011 0.000 0.896 33 L HN -0.053 8.184 8.230 0.012 0.000 0.432 34 R N -0.454 120.045 120.500 -0.002 0.000 2.091 34 R HA -0.378 nan 4.340 nan 0.000 0.238 34 R C 2.417 178.709 176.300 -0.013 0.000 1.136 34 R CA 3.665 59.759 56.100 -0.009 0.000 0.959 34 R CB -0.316 29.979 30.300 -0.008 0.000 0.856 34 R HN 0.091 8.362 8.270 0.001 0.000 0.437 35 D N -1.269 119.128 120.400 -0.005 0.000 2.371 35 D HA -0.062 nan 4.640 nan 0.000 0.221 35 D C 0.928 177.221 176.300 -0.012 0.000 0.986 35 D CA 2.325 56.321 54.000 -0.006 0.000 0.899 35 D CB -0.721 40.083 40.800 0.006 0.000 0.902 35 D HN -0.161 8.210 8.370 0.001 0.000 0.530 36 S N -1.722 113.972 115.700 -0.010 0.000 2.558 36 S HA -0.018 nan 4.470 nan 0.000 0.217 36 S C -0.557 174.002 174.600 -0.069 0.000 0.975 36 S CA 1.231 59.415 58.200 -0.026 0.000 0.912 36 S CB 0.975 64.183 63.200 0.014 0.000 0.776 36 S HN -0.482 7.650 8.310 -0.001 0.178 0.526 37 L N 1.427 122.613 121.223 -0.061 0.000 2.262 37 L HA 0.155 nan 4.340 nan 0.000 0.288 37 L C -1.216 175.595 176.870 -0.098 0.000 1.035 37 L CA -0.266 54.527 54.840 -0.078 0.000 0.820 37 L CB 0.213 42.237 42.059 -0.057 0.000 1.204 37 L HN -0.831 7.315 8.230 -0.045 0.058 0.424 38 S N 2.903 118.521 115.700 -0.135 0.000 2.575 38 S HA 0.289 nan 4.470 nan 0.000 0.278 38 S C -0.533 173.921 174.600 -0.243 0.000 1.139 38 S CA -1.538 56.574 58.200 -0.148 0.000 0.954 38 S CB 1.908 65.032 63.200 -0.126 0.000 1.054 38 S HN 0.206 8.426 8.310 -0.149 0.000 0.483 39 D N 4.324 124.573 120.400 -0.252 0.000 2.369 39 D HA 0.080 nan 4.640 nan 0.000 0.211 39 D C -0.089 176.076 176.300 -0.225 0.000 1.077 39 D CA -1.232 52.505 54.000 -0.439 0.000 0.842 39 D CB -0.322 40.319 40.800 -0.267 0.000 0.947 39 D HN 0.423 8.694 8.370 -0.166 0.000 0.509 40 K N 1.143 121.494 120.400 -0.082 0.000 2.286 40 K HA 0.019 nan 4.320 nan 0.000 0.256 40 K C -1.936 174.756 176.600 0.154 0.000 0.999 40 K CA -1.074 55.229 56.287 0.027 0.000 0.908 40 K CB -0.887 31.608 32.500 -0.007 0.000 0.981 40 K HN -0.743 7.382 8.250 -0.109 0.060 0.500 41 P HA -0.083 nan 4.420 nan 0.000 0.271 41 P C -1.780 175.540 177.300 0.033 0.000 1.218 41 P CA -0.046 63.097 63.100 0.072 0.000 0.780 41 P CB 0.346 32.056 31.700 0.016 0.000 0.901 42 A N 2.425 125.235 122.820 -0.018 0.000 2.274 42 A HA 0.168 nan 4.320 nan 0.000 0.309 42 A C -0.540 177.008 177.584 -0.061 0.000 1.226 42 A CA -1.362 50.653 52.037 -0.037 0.000 0.853 42 A CB 1.060 20.026 19.000 -0.056 0.000 1.146 42 A HN 0.337 8.339 8.150 -0.083 0.098 0.518 43 K N 3.677 124.039 120.400 -0.063 0.000 2.167 43 K HA -0.184 nan 4.320 nan 0.000 0.203 43 K C -0.460 176.063 176.600 -0.127 0.000 1.052 43 K CA 1.761 58.009 56.287 -0.065 0.000 0.956 43 K CB 0.681 33.157 32.500 -0.040 0.000 0.735 43 K HN 0.412 8.626 8.250 -0.060 0.000 0.451 44 N N -4.115 114.462 118.700 -0.205 0.000 2.357 44 N HA 0.496 nan 4.740 nan 0.000 0.284 44 N C -2.142 173.195 175.510 -0.289 0.000 1.236 44 N CA -0.351 52.433 53.050 -0.442 0.000 0.774 44 N CB 4.337 42.268 38.487 -0.926 0.000 1.534 44 N HN -0.704 7.584 8.380 -0.153 0.000 0.478 45 I N 0.203 120.608 120.570 -0.275 0.000 2.619 45 I HA 0.668 nan 4.170 nan 0.000 0.292 45 I C -1.827 174.175 176.117 -0.191 0.000 1.100 45 I CA -0.740 60.489 61.300 -0.117 0.000 1.043 45 I CB 3.941 41.986 38.000 0.075 0.000 1.239 45 I HN 0.632 8.625 8.210 -0.362 0.000 0.420 46 I N 4.884 125.383 120.570 -0.118 0.000 2.439 46 I HA 0.557 nan 4.170 nan 0.000 0.285 46 I C -2.072 173.964 176.117 -0.135 0.000 1.021 46 I CA -1.130 60.098 61.300 -0.121 0.000 1.091 46 I CB 2.495 40.503 38.000 0.013 0.000 1.242 46 I HN 0.573 8.746 8.210 -0.063 0.000 0.439 47 L N 7.094 128.187 121.223 -0.217 0.000 2.287 47 L HA 0.734 nan 4.340 nan 0.000 0.287 47 L C -2.328 174.441 176.870 -0.169 0.000 1.022 47 L CA -1.435 53.305 54.840 -0.167 0.000 0.814 47 L CB 2.320 44.299 42.059 -0.133 0.000 1.217 47 L HN 0.660 8.692 8.230 -0.330 0.000 0.420 48 L N 5.850 126.976 121.223 -0.162 0.000 2.305 48 L HA 0.738 nan 4.340 nan 0.000 0.284 48 L C -1.564 175.187 176.870 -0.197 0.000 1.013 48 L CA -1.204 53.544 54.840 -0.154 0.000 0.819 48 L CB 1.010 42.988 42.059 -0.134 0.000 1.227 48 L HN 0.894 9.028 8.230 -0.161 0.000 0.417 49 I N 3.430 123.889 120.570 -0.185 0.000 2.406 49 I HA 0.523 nan 4.170 nan 0.000 0.290 49 I C -1.137 174.897 176.117 -0.138 0.000 0.999 49 I CA -2.056 59.113 61.300 -0.218 0.000 1.124 49 I CB 2.335 40.187 38.000 -0.246 0.000 1.289 49 I HN 0.830 8.957 8.210 -0.138 0.000 0.441 50 G N 6.203 114.920 108.800 -0.138 0.000 2.329 50 G HA2 0.155 nan 3.960 nan 0.000 0.309 50 G HA3 0.155 nan 3.960 nan 0.000 0.309 50 G C -1.585 173.277 174.900 -0.064 0.000 1.110 50 G CA -1.529 43.512 45.100 -0.098 0.000 0.923 50 G HN 0.831 9.023 8.290 -0.163 0.000 0.430 51 D N 7.898 128.283 120.400 -0.026 0.000 2.358 51 D HA -0.236 nan 4.640 nan 0.000 0.258 51 D C 0.680 177.029 176.300 0.082 0.000 1.223 51 D CA 0.478 54.478 54.000 0.001 0.000 0.886 51 D CB 0.510 41.342 40.800 0.053 0.000 1.120 51 D HN -0.041 8.316 8.370 -0.022 0.000 0.482 52 G N 5.369 114.224 108.800 0.091 0.000 2.162 52 G HA2 -0.452 nan 3.960 nan 0.000 0.260 52 G HA3 -0.452 nan 3.960 nan 0.000 0.260 52 G C -0.314 174.699 174.900 0.188 0.000 0.976 52 G CA 0.492 45.783 45.100 0.318 0.000 0.655 52 G HN 0.741 9.307 8.290 -0.087 -0.328 0.533 53 M N 2.866 122.507 119.600 0.069 0.000 3.596 53 M HA -0.009 nan 4.480 nan 0.000 0.219 53 M C -1.051 175.274 176.300 0.041 0.000 1.471 53 M CA -0.812 54.507 55.300 0.031 0.000 1.644 53 M CB -1.047 31.532 32.600 -0.035 0.000 1.083 53 M HN -0.667 7.503 8.290 0.025 0.134 0.579 54 G N 0.902 109.755 108.800 0.089 0.000 2.588 54 G HA2 0.065 nan 3.960 nan 0.000 0.278 54 G HA3 0.065 nan 3.960 nan 0.000 0.278 54 G C -0.649 174.295 174.900 0.074 0.000 1.307 54 G CA -1.486 43.674 45.100 0.099 0.000 1.016 54 G HN -0.348 8.076 8.290 0.121 -0.062 0.503 55 D N 0.364 120.810 120.400 0.077 0.000 2.149 55 D HA -0.372 nan 4.640 nan 0.000 0.198 55 D C 2.101 178.440 176.300 0.065 0.000 0.990 55 D CA 4.519 58.558 54.000 0.066 0.000 0.839 55 D CB -0.129 40.711 40.800 0.066 0.000 0.948 55 D HN 0.394 8.820 8.370 0.094 0.000 0.460 56 S N 0.085 115.823 115.700 0.064 0.000 2.370 56 S HA -0.328 nan 4.470 nan 0.000 0.226 56 S C 1.942 176.572 174.600 0.049 0.000 1.033 56 S CA 3.477 61.706 58.200 0.049 0.000 1.011 56 S CB -0.157 63.067 63.200 0.039 0.000 0.852 56 S HN 0.150 8.503 8.310 0.072 0.000 0.457 57 E N 1.288 121.521 120.200 0.054 0.000 2.072 57 E HA -0.258 nan 4.350 nan 0.000 0.191 57 E C 2.385 179.029 176.600 0.074 0.000 0.985 57 E CA 3.021 59.450 56.400 0.050 0.000 0.801 57 E CB -0.387 29.338 29.700 0.042 0.000 0.750 57 E HN -0.663 7.735 8.360 0.063 0.000 0.452 58 I N -0.427 120.190 120.570 0.078 0.000 2.179 58 I HA -0.541 nan 4.170 nan 0.000 0.242 58 I C 1.895 178.124 176.117 0.186 0.000 1.088 58 I CA 4.393 65.772 61.300 0.132 0.000 1.357 58 I CB -0.310 37.748 38.000 0.097 0.000 1.051 58 I HN -0.202 8.046 8.210 0.063 0.000 0.409 59 T N 1.917 116.542 114.554 0.119 0.000 2.708 59 T HA -0.345 nan 4.350 nan 0.000 0.266 59 T C 1.573 176.334 174.700 0.101 0.000 1.037 59 T CA 5.117 67.275 62.100 0.097 0.000 1.146 59 T CB -0.727 68.180 68.868 0.065 0.000 0.865 59 T HN 0.073 8.369 8.240 0.093 0.000 0.435 60 A N 0.833 123.712 122.820 0.098 0.000 1.883 60 A HA -0.317 nan 4.320 nan 0.000 0.217 60 A C 1.516 179.203 177.584 0.172 0.000 1.186 60 A CA 3.140 55.241 52.037 0.107 0.000 0.624 60 A CB -0.820 18.223 19.000 0.072 0.000 0.822 60 A HN 0.121 8.322 8.150 0.085 0.000 0.444 61 A N -2.043 120.903 122.820 0.210 0.000 1.930 61 A HA -0.307 nan 4.320 nan 0.000 0.217 61 A C 1.867 179.651 177.584 0.334 0.000 1.175 61 A CA 2.966 55.197 52.037 0.323 0.000 0.627 61 A CB -0.866 18.345 19.000 0.351 0.000 0.815 61 A HN -0.022 8.235 8.150 0.179 0.000 0.443 62 R N -1.272 119.330 120.500 0.171 0.000 2.066 62 R HA -0.367 nan 4.340 nan 0.000 0.232 62 R C 2.249 178.477 176.300 -0.121 0.000 1.131 62 R CA 3.578 59.502 56.100 -0.295 0.000 0.955 62 R CB -0.035 30.120 30.300 -0.241 0.000 0.851 62 R HN 0.064 8.493 8.270 0.264 0.000 0.432 63 N N -0.954 117.752 118.700 0.009 0.000 2.061 63 N HA -0.358 nan 4.740 nan 0.000 0.193 63 N C 2.251 177.797 175.510 0.060 0.000 1.030 63 N CA 3.078 56.145 53.050 0.028 0.000 0.856 63 N CB -0.449 38.076 38.487 0.062 0.000 1.023 63 N HN -0.002 8.405 8.380 0.045 0.000 0.424 64 Y N 0.429 120.755 120.300 0.043 0.000 2.153 64 Y HA -0.345 nan 4.550 nan 0.000 0.289 64 Y C 1.165 177.113 175.900 0.079 0.000 1.127 64 Y CA 3.670 61.816 58.100 0.076 0.000 1.131 64 Y CB 0.545 39.095 38.460 0.150 0.000 0.995 64 Y HN -0.179 8.269 8.280 0.281 0.000 0.505 65 A N -3.621 119.367 122.820 0.280 0.000 1.975 65 A HA -0.112 nan 4.320 nan 0.000 0.215 65 A C 1.527 179.114 177.584 0.005 0.000 1.170 65 A CA 2.898 55.068 52.037 0.222 0.000 0.656 65 A CB 0.030 19.290 19.000 0.434 0.000 0.821 65 A HN 0.133 8.492 8.150 0.349 0.000 0.449 66 E N -6.462 113.665 120.200 -0.122 0.000 2.514 66 E HA 0.160 nan 4.350 nan 0.000 0.215 66 E C 0.471 176.999 176.600 -0.121 0.000 0.946 66 E CA -1.046 55.258 56.400 -0.161 0.000 1.038 66 E CB 2.248 31.751 29.700 -0.329 0.000 1.069 66 E HN 0.067 8.239 8.360 -0.141 0.104 0.503 67 G N -1.849 106.885 108.800 -0.109 0.000 2.690 67 G HA2 -0.285 nan 3.960 nan 0.000 0.686 67 G HA3 -0.285 nan 3.960 nan 0.000 0.686 67 G C -0.081 174.779 174.900 -0.066 0.000 1.277 67 G CA -0.457 44.596 45.100 -0.079 0.000 0.799 67 G HN -0.442 7.782 8.290 -0.109 0.000 0.613 68 A N 1.878 124.674 122.820 -0.040 0.000 1.940 68 A HA -0.235 nan 4.320 nan 0.000 0.219 68 A C 1.310 178.882 177.584 -0.021 0.000 1.176 68 A CA 3.274 55.297 52.037 -0.024 0.000 0.631 68 A CB 0.076 19.069 19.000 -0.012 0.000 0.814 68 A HN 0.272 8.717 8.150 -0.037 -0.316 0.446 69 G N -3.828 104.959 108.800 -0.022 0.000 3.314 69 G HA2 0.102 nan 3.960 nan 0.000 0.238 69 G HA3 0.102 nan 3.960 nan 0.000 0.238 69 G C -0.786 174.109 174.900 -0.008 0.000 1.184 69 G CA -1.247 43.845 45.100 -0.013 0.000 0.806 69 G HN 0.398 8.671 8.290 -0.027 0.000 0.536 70 G N -0.439 108.345 108.800 -0.026 0.000 2.563 70 G HA2 0.218 nan 3.960 nan 0.000 0.283 70 G HA3 0.218 nan 3.960 nan 0.000 0.283 70 G C -3.123 171.810 174.900 0.054 0.000 1.309 70 G CA -1.628 43.459 45.100 -0.022 0.000 1.022 70 G HN -0.279 7.803 8.290 -0.047 0.180 0.501 71 F N -1.960 117.899 119.950 -0.151 0.000 2.596 71 F HA 0.479 nan 4.527 nan 0.000 0.311 71 F C -2.276 173.475 175.800 -0.082 0.000 1.116 71 F CA -1.928 56.017 58.000 -0.092 0.000 0.957 71 F CB 3.736 42.718 39.000 -0.029 0.000 1.250 71 F HN -0.178 8.158 8.300 0.059 0.000 0.444 72 F N 6.899 126.548 119.950 -0.501 0.000 2.404 72 F HA 0.322 nan 4.527 nan 0.000 0.358 72 F C 0.481 175.768 175.800 -0.855 0.000 1.120 72 F CA -1.099 56.626 58.000 -0.457 0.000 1.144 72 F CB 0.492 39.314 39.000 -0.296 0.000 1.133 72 F HN 0.361 8.700 8.300 -0.411 -0.286 0.495 73 K N 5.575 125.777 120.400 -0.329 0.000 2.209 73 K HA -0.269 nan 4.320 nan 0.000 0.204 73 K C 0.632 177.094 176.600 -0.230 0.000 1.048 73 K CA 1.741 57.852 56.287 -0.294 0.000 0.940 73 K CB -0.626 31.866 32.500 -0.014 0.000 0.729 73 K HN 0.510 8.719 8.250 -0.068 0.000 0.451 74 G N -2.647 106.041 108.800 -0.186 0.000 2.695 74 G HA2 0.131 nan 3.960 nan 0.000 0.219 74 G HA3 0.131 nan 3.960 nan 0.000 0.219 74 G C 1.070 175.857 174.900 -0.189 0.000 1.295 74 G CA 0.132 45.133 45.100 -0.166 0.000 0.882 74 G HN -0.640 7.746 8.290 -0.139 -0.179 0.570 75 I N 2.288 122.725 120.570 -0.221 0.000 2.185 75 I HA -0.601 nan 4.170 nan 0.000 0.246 75 I C 0.987 177.038 176.117 -0.111 0.000 1.088 75 I CA 3.837 65.026 61.300 -0.186 0.000 1.347 75 I CB -0.058 37.772 38.000 -0.283 0.000 1.041 75 I HN -0.204 8.117 8.210 -0.276 -0.277 0.415 76 D N -2.586 117.718 120.400 -0.160 0.000 2.350 76 D HA 0.008 nan 4.640 nan 0.000 0.213 76 D C 0.714 177.035 176.300 0.036 0.000 1.031 76 D CA 1.420 55.374 54.000 -0.076 0.000 0.861 76 D CB -0.342 40.398 40.800 -0.100 0.000 0.926 76 D HN -0.396 7.793 8.370 -0.268 0.021 0.520 77 A N -0.737 122.043 122.820 -0.066 0.000 2.206 77 A HA -0.001 nan 4.320 nan 0.000 0.211 77 A C -0.620 177.017 177.584 0.088 0.000 1.158 77 A CA 0.585 52.704 52.037 0.138 0.000 0.761 77 A CB 0.420 19.453 19.000 0.055 0.000 0.801 77 A HN -0.325 7.547 8.150 -0.182 0.169 0.473 78 L N -0.916 120.337 121.223 0.051 0.000 2.361 78 L HA 0.057 nan 4.340 nan 0.000 0.278 78 L C -1.536 175.395 176.870 0.102 0.000 1.113 78 L CA -1.903 52.981 54.840 0.074 0.000 0.849 78 L CB -0.207 41.880 42.059 0.046 0.000 1.155 78 L HN -0.778 7.408 8.230 0.024 0.059 0.452 79 P HA -0.060 nan 4.420 nan 0.000 0.220 79 P C -0.963 176.382 177.300 0.076 0.000 1.152 79 P CA 1.093 64.259 63.100 0.109 0.000 0.812 79 P CB 0.479 32.259 31.700 0.134 0.000 0.792 80 L N 0.184 121.447 121.223 0.068 0.000 2.282 80 L HA 0.321 nan 4.340 nan 0.000 0.288 80 L C -1.099 175.787 176.870 0.028 0.000 1.033 80 L CA -0.762 54.101 54.840 0.039 0.000 0.807 80 L CB -0.268 41.806 42.059 0.025 0.000 1.209 80 L HN -0.685 7.597 8.230 0.086 0.000 0.423 81 T N -0.859 113.708 114.554 0.022 0.000 2.900 81 T HA 0.755 nan 4.350 nan 0.000 0.295 81 T C -1.217 173.489 174.700 0.011 0.000 1.044 81 T CA -2.123 59.984 62.100 0.011 0.000 0.995 81 T CB 3.683 72.564 68.868 0.021 0.000 1.072 81 T HN 0.267 8.522 8.240 0.026 0.000 0.473 82 G N 0.560 109.359 108.800 -0.002 0.000 2.749 82 G HA2 0.578 nan 3.960 nan 0.000 0.300 82 G HA3 0.578 nan 3.960 nan 0.000 0.300 82 G C -2.984 171.925 174.900 0.015 0.000 1.352 82 G CA 0.083 45.193 45.100 0.017 0.000 0.789 82 G HN 0.439 8.713 8.290 -0.026 0.000 0.509 83 Q N -1.214 118.621 119.800 0.059 0.000 2.323 83 Q HA 0.939 nan 4.340 nan 0.000 0.271 83 Q C -1.660 174.462 176.000 0.204 0.000 1.048 83 Q CA -1.334 54.530 55.803 0.101 0.000 0.792 83 Q CB 3.690 32.491 28.738 0.104 0.000 1.280 83 Q HN 0.024 8.338 8.270 0.073 0.000 0.441 84 Y N 1.321 121.676 120.300 0.090 0.000 2.524 84 Y HA 0.872 nan 4.550 nan 0.000 0.344 84 Y C -1.773 174.194 175.900 0.111 0.000 1.012 84 Y CA -3.781 54.379 58.100 0.100 0.000 1.068 84 Y CB 2.672 41.194 38.460 0.103 0.000 1.249 84 Y HN 0.720 9.213 8.280 0.356 0.000 0.468 85 T N -1.868 112.761 114.554 0.124 0.000 2.922 85 T HA 0.400 nan 4.350 nan 0.000 0.285 85 T C -0.951 173.624 174.700 -0.207 0.000 1.005 85 T CA -2.071 60.013 62.100 -0.026 0.000 1.061 85 T CB 0.898 69.839 68.868 0.121 0.000 1.007 85 T HN 0.446 8.765 8.240 0.131 0.000 0.502 86 H N -1.145 117.894 119.070 -0.050 0.000 2.907 86 H HA 0.386 nan 4.556 nan 0.000 0.233 86 H C -1.420 173.857 175.328 -0.085 0.000 1.285 86 H CA -1.963 53.977 56.048 -0.180 0.000 0.981 86 H CB -0.555 29.133 29.762 -0.124 0.000 2.255 86 H HN 0.395 8.317 8.280 -0.597 0.000 0.601 87 Y N -2.275 118.008 120.300 -0.028 0.000 2.457 87 Y HA 0.090 nan 4.550 nan 0.000 0.341 87 Y C -1.563 174.329 175.900 -0.013 0.000 1.240 87 Y CA -1.607 56.493 58.100 0.001 0.000 1.437 87 Y CB -0.305 38.129 38.460 -0.045 0.000 1.328 87 Y HN -0.557 7.681 8.280 -0.070 0.000 0.588 88 A N 0.449 123.331 122.820 0.103 0.000 2.420 88 A HA 0.857 nan 4.320 nan 0.000 0.291 88 A C -1.843 175.777 177.584 0.060 0.000 1.228 88 A CA -2.063 49.985 52.037 0.019 0.000 0.933 88 A CB 2.291 21.308 19.000 0.028 0.000 1.428 88 A HN 0.739 8.979 8.150 0.151 0.000 0.493 89 L N -3.908 117.333 121.223 0.029 0.000 2.341 89 L HA 0.492 nan 4.340 nan 0.000 0.267 89 L C -1.662 175.225 176.870 0.029 0.000 1.009 89 L CA -1.545 53.310 54.840 0.026 0.000 0.819 89 L CB 3.017 45.087 42.059 0.019 0.000 1.323 89 L HN 0.102 8.344 8.230 0.020 0.000 0.425 90 N N 0.726 119.423 118.700 -0.006 0.000 2.458 90 N HA 0.043 nan 4.740 nan 0.000 0.270 90 N C 0.383 175.881 175.510 -0.020 0.000 1.102 90 N CA -0.453 52.592 53.050 -0.007 0.000 0.967 90 N CB 2.000 40.471 38.487 -0.028 0.000 1.078 90 N HN 0.279 8.643 8.380 -0.026 0.000 0.471 91 K N 6.748 127.122 120.400 -0.042 0.000 2.063 91 K HA -0.266 nan 4.320 nan 0.000 0.208 91 K C 1.144 177.667 176.600 -0.129 0.000 1.048 91 K CA 2.966 59.163 56.287 -0.151 0.000 0.928 91 K CB 0.116 32.383 32.500 -0.388 0.000 0.713 91 K HN 0.550 8.789 8.250 -0.018 0.000 0.442 92 K N -2.970 117.374 120.400 -0.093 0.000 2.025 92 K HA -0.099 nan 4.320 nan 0.000 0.207 92 K C 1.864 178.440 176.600 -0.039 0.000 1.049 92 K CA 2.005 58.254 56.287 -0.064 0.000 0.933 92 K CB -0.027 32.444 32.500 -0.047 0.000 0.714 92 K HN -0.096 8.302 8.250 -0.080 -0.196 0.438 93 T N -7.768 106.766 114.554 -0.032 0.000 3.037 93 T HA 0.258 nan 4.350 nan 0.000 0.252 93 T C 1.449 176.138 174.700 -0.017 0.000 1.073 93 T CA -0.487 61.601 62.100 -0.019 0.000 1.091 93 T CB 0.738 69.597 68.868 -0.015 0.000 0.935 93 T HN -0.420 8.083 8.240 -0.036 -0.284 0.488 94 G N 2.733 111.515 108.800 -0.029 0.000 2.162 94 G HA2 -0.376 nan 3.960 nan 0.000 0.260 94 G HA3 -0.376 nan 3.960 nan 0.000 0.260 94 G C -0.287 174.601 174.900 -0.019 0.000 0.976 94 G CA 0.277 45.362 45.100 -0.026 0.000 0.655 94 G HN 0.198 8.465 8.290 -0.038 0.000 0.533 95 K N 0.893 121.275 120.400 -0.031 0.000 2.107 95 K HA 0.296 nan 4.320 nan 0.000 0.251 95 K C -2.247 174.294 176.600 -0.098 0.000 1.012 95 K CA -2.746 53.509 56.287 -0.052 0.000 0.920 95 K CB 0.180 32.652 32.500 -0.047 0.000 1.033 95 K HN -0.666 7.507 8.250 -0.031 0.059 0.478 96 P HA -0.180 nan 4.420 nan 0.000 0.266 96 P C -1.405 175.577 177.300 -0.531 0.000 1.195 96 P CA 0.469 63.353 63.100 -0.359 0.000 0.768 96 P CB 0.257 31.572 31.700 -0.641 0.000 0.838 97 D N 1.904 122.081 120.400 -0.372 0.000 2.471 97 D HA 0.172 nan 4.640 nan 0.000 0.245 97 D C 0.989 177.158 176.300 -0.219 0.000 1.116 97 D CA -1.993 51.846 54.000 -0.268 0.000 0.853 97 D CB 2.106 42.873 40.800 -0.055 0.000 1.123 97 D HN 0.164 8.334 8.370 -0.171 0.098 0.540 98 Y N 3.123 123.476 120.300 0.089 0.000 2.497 98 Y HA -0.169 nan 4.550 nan 0.000 0.292 98 Y C 0.102 176.084 175.900 0.136 0.000 1.137 98 Y CA 1.325 59.482 58.100 0.096 0.000 1.285 98 Y CB 0.263 38.747 38.460 0.039 0.000 0.991 98 Y HN 0.186 8.384 8.280 -0.137 0.000 0.556 99 V N -1.422 118.635 119.914 0.237 0.000 2.407 99 V HA 0.110 nan 4.120 nan 0.000 0.291 99 V C -0.662 175.549 176.094 0.195 0.000 1.018 99 V CA -0.735 61.701 62.300 0.227 0.000 0.842 99 V CB 0.836 32.769 31.823 0.184 0.000 0.996 99 V HN -0.744 7.679 8.190 0.188 -0.119 0.426 100 T N 8.656 123.341 114.554 0.219 0.000 2.899 100 T HA 0.415 nan 4.350 nan 0.000 0.284 100 T C -1.548 173.233 174.700 0.134 0.000 1.004 100 T CA -1.549 60.647 62.100 0.159 0.000 1.043 100 T CB 1.215 70.182 68.868 0.165 0.000 1.013 100 T HN 0.325 8.740 8.240 0.292 0.000 0.518 101 D N 3.193 123.659 120.400 0.109 0.000 2.440 101 D HA 0.287 nan 4.640 nan 0.000 0.258 101 D C 1.163 177.497 176.300 0.058 0.000 1.092 101 D CA -1.640 52.422 54.000 0.103 0.000 1.016 101 D CB 1.953 42.850 40.800 0.161 0.000 1.141 101 D HN -0.069 8.573 8.370 0.077 -0.226 0.552 102 S N 0.265 116.002 115.700 0.061 0.000 2.383 102 S HA -0.362 nan 4.470 nan 0.000 0.229 102 S C 1.976 176.514 174.600 -0.104 0.000 1.030 102 S CA 3.589 61.768 58.200 -0.035 0.000 1.002 102 S CB -0.081 63.142 63.200 0.039 0.000 0.829 102 S HN 0.485 8.874 8.310 0.131 0.000 0.467 103 A N 1.444 124.214 122.820 -0.083 0.000 1.873 103 A HA -0.128 nan 4.320 nan 0.000 0.215 103 A C 1.535 178.980 177.584 -0.230 0.000 1.186 103 A CA 2.737 54.681 52.037 -0.156 0.000 0.616 103 A CB -1.053 17.875 19.000 -0.120 0.000 0.823 103 A HN 0.013 8.347 8.150 -0.023 -0.198 0.442 104 A N -2.211 120.499 122.820 -0.184 0.000 1.929 104 A HA -0.259 nan 4.320 nan 0.000 0.216 104 A C 2.141 179.589 177.584 -0.226 0.000 1.176 104 A CA 3.006 54.918 52.037 -0.209 0.000 0.628 104 A CB -0.582 18.339 19.000 -0.132 0.000 0.816 104 A HN -0.017 8.319 8.150 -0.116 -0.256 0.444 105 S N -0.609 114.982 115.700 -0.182 0.000 2.356 105 S HA -0.406 nan 4.470 nan 0.000 0.223 105 S C 1.841 176.157 174.600 -0.473 0.000 1.032 105 S CA 3.419 61.519 58.200 -0.167 0.000 1.005 105 S CB -0.572 62.597 63.200 -0.050 0.000 0.867 105 S HN -0.319 7.918 8.310 -0.121 0.000 0.449 106 A N 1.179 123.545 122.820 -0.756 0.000 1.883 106 A HA -0.328 nan 4.320 nan 0.000 0.217 106 A C 1.933 178.833 177.584 -1.140 0.000 1.186 106 A CA 3.077 54.223 52.037 -1.485 0.000 0.624 106 A CB -0.997 17.531 19.000 -0.787 0.000 0.822 106 A HN -0.139 7.731 8.150 -0.468 0.000 0.444 107 T N 0.840 115.015 114.554 -0.632 0.000 2.720 107 T HA -0.419 nan 4.350 nan 0.000 0.268 107 T C 1.765 176.205 174.700 -0.434 0.000 1.037 107 T CA 5.055 66.873 62.100 -0.470 0.000 1.144 107 T CB -0.612 68.045 68.868 -0.351 0.000 0.864 107 T HN -0.005 7.925 8.240 -0.517 0.000 0.444 108 A N 1.250 123.846 122.820 -0.374 0.000 1.883 108 A HA -0.190 nan 4.320 nan 0.000 0.217 108 A C 1.661 179.175 177.584 -0.118 0.000 1.186 108 A CA 3.015 54.909 52.037 -0.239 0.000 0.624 108 A CB -0.761 18.134 19.000 -0.175 0.000 0.822 108 A HN -0.205 7.638 8.150 -0.380 0.079 0.444 109 W N -4.610 116.659 121.300 -0.052 0.000 2.658 109 W HA -0.091 nan 4.660 nan 0.000 0.263 109 W C 0.312 176.887 176.519 0.094 0.000 1.274 109 W CA 1.175 58.553 57.345 0.055 0.000 1.343 109 W CB -0.475 29.048 29.460 0.106 0.000 1.106 109 W HN -0.521 7.506 8.180 -0.256 0.000 0.615 110 S N -2.206 113.354 115.700 -0.233 0.000 2.501 110 S HA 0.036 nan 4.470 nan 0.000 0.220 110 S C 1.350 175.857 174.600 -0.155 0.000 0.997 110 S CA 1.917 60.084 58.200 -0.055 0.000 0.919 110 S CB 1.601 64.662 63.200 -0.232 0.000 0.778 110 S HN -0.227 7.678 8.310 -0.675 0.000 0.523 111 T N -5.709 108.543 114.554 -0.503 0.000 2.955 111 T HA 0.378 nan 4.350 nan 0.000 0.251 111 T C 1.266 175.026 174.700 -1.568 0.000 1.002 111 T CA -0.223 61.330 62.100 -0.911 0.000 0.970 111 T CB 1.316 69.919 68.868 -0.440 0.000 1.091 111 T HN 0.065 8.047 8.240 -0.429 0.000 0.495 112 G N 2.680 110.905 108.800 -0.957 0.000 2.141 112 G HA2 -0.249 nan 3.960 nan 0.000 0.242 112 G HA3 -0.249 nan 3.960 nan 0.000 0.242 112 G C -1.617 173.158 174.900 -0.209 0.000 0.982 112 G CA 0.552 45.351 45.100 -0.502 0.000 0.662 112 G HN -0.228 7.721 8.290 -0.570 0.000 0.527 113 V N -2.217 117.502 119.914 -0.325 0.000 2.735 113 V HA 0.300 nan 4.120 nan 0.000 0.310 113 V C -1.302 174.643 176.094 -0.249 0.000 1.061 113 V CA -1.958 60.175 62.300 -0.279 0.000 0.913 113 V CB 2.095 33.621 31.823 -0.495 0.000 1.005 113 V HN -0.902 7.011 8.190 -0.404 0.034 0.428 114 K N 6.200 126.486 120.400 -0.191 0.000 2.258 114 K HA 0.142 nan 4.320 nan 0.000 0.264 114 K C -1.245 175.254 176.600 -0.168 0.000 1.007 114 K CA -0.136 56.038 56.287 -0.188 0.000 0.941 114 K CB 0.789 33.193 32.500 -0.159 0.000 0.966 114 K HN 0.188 8.345 8.250 -0.154 0.000 0.480 115 T N -1.078 113.381 114.554 -0.158 0.000 2.647 115 T HA 0.302 nan 4.350 nan 0.000 0.295 115 T C -1.868 172.790 174.700 -0.070 0.000 1.126 115 T CA -1.927 60.096 62.100 -0.128 0.000 1.040 115 T CB 2.590 71.311 68.868 -0.245 0.000 1.472 115 T HN -0.137 8.002 8.240 -0.170 0.000 0.500 116 Y N -1.942 118.310 120.300 -0.080 0.000 2.316 116 Y HA 0.480 nan 4.550 nan 0.000 0.324 116 Y C -0.369 175.507 175.900 -0.040 0.000 1.267 116 Y CA -2.728 55.339 58.100 -0.055 0.000 1.311 116 Y CB 0.416 38.846 38.460 -0.050 0.000 1.267 116 Y HN 0.254 8.430 8.280 -0.173 0.000 0.516 117 N N 3.231 121.990 118.700 0.098 0.000 2.440 117 N HA -0.300 nan 4.740 nan 0.000 0.265 117 N C 0.461 175.993 175.510 0.036 0.000 1.239 117 N CA 1.535 54.606 53.050 0.036 0.000 0.909 117 N CB -1.054 37.484 38.487 0.086 0.000 1.066 117 N HN 0.295 8.778 8.380 0.171 0.000 0.474 118 G N 0.878 109.630 108.800 -0.079 0.000 2.253 118 G HA2 -0.308 nan 3.960 nan 0.000 0.209 118 G HA3 -0.308 nan 3.960 nan 0.000 0.209 118 G C -1.419 173.362 174.900 -0.198 0.000 0.997 118 G CA -0.059 45.008 45.100 -0.055 0.000 0.640 118 G HN -0.241 8.114 8.290 -0.125 -0.140 0.496 119 A N 0.966 123.462 122.820 -0.540 0.000 2.388 119 A HA 0.516 nan 4.320 nan 0.000 0.257 119 A C -1.678 175.701 177.584 -0.341 0.000 1.095 119 A CA 0.083 51.751 52.037 -0.616 0.000 0.791 119 A CB 0.968 19.279 19.000 -1.148 0.000 1.029 119 A HN -0.368 7.316 8.150 -0.675 0.061 0.489 120 L N 1.383 122.472 121.223 -0.224 0.000 2.342 120 L HA 0.183 nan 4.340 nan 0.000 0.276 120 L C 0.444 177.217 176.870 -0.163 0.000 0.997 120 L CA -1.110 53.611 54.840 -0.199 0.000 0.838 120 L CB 1.427 43.391 42.059 -0.158 0.000 1.224 120 L HN 0.226 8.352 8.230 -0.173 0.000 0.416 121 G N 2.965 111.653 108.800 -0.185 0.000 2.168 121 G HA2 -0.440 nan 3.960 nan 0.000 0.257 121 G HA3 -0.440 nan 3.960 nan 0.000 0.257 121 G C -1.455 173.529 174.900 0.139 0.000 0.997 121 G CA 1.054 46.111 45.100 -0.071 0.000 0.708 121 G HN 0.202 8.348 8.290 -0.240 0.000 0.520 122 V N -6.379 113.553 119.914 0.030 0.000 3.001 122 V HA 0.827 nan 4.120 nan 0.000 0.314 122 V C -1.527 174.589 176.094 0.037 0.000 1.099 122 V CA -3.925 58.435 62.300 0.099 0.000 0.989 122 V CB 3.514 35.398 31.823 0.102 0.000 1.040 122 V HN -0.821 7.275 8.190 -0.087 0.042 0.434 123 D N 2.010 122.483 120.400 0.121 0.000 2.511 123 D HA 0.423 nan 4.640 nan 0.000 0.276 123 D C 1.547 177.914 176.300 0.112 0.000 1.220 123 D CA -1.187 52.830 54.000 0.028 0.000 1.077 123 D CB 1.386 42.198 40.800 0.020 0.000 1.126 123 D HN 0.201 8.709 8.370 0.230 0.000 0.583 124 I N -7.061 113.512 120.570 0.004 0.000 2.756 124 I HA -0.156 nan 4.170 nan 0.000 0.262 124 I C 0.507 176.539 176.117 -0.141 0.000 1.225 124 I CA 2.586 63.881 61.300 -0.008 0.000 1.472 124 I CB -0.183 37.700 38.000 -0.194 0.000 1.094 124 I HN 0.285 8.443 8.210 -0.087 0.000 0.454 125 H N -1.543 117.587 119.070 0.100 0.000 2.524 125 H HA 0.195 nan 4.556 nan 0.000 0.280 125 H C -0.593 174.782 175.328 0.078 0.000 1.018 125 H CA -0.507 55.578 56.048 0.061 0.000 1.165 125 H CB -0.671 29.123 29.762 0.054 0.000 1.411 125 H HN -0.625 7.711 8.280 -0.111 -0.123 0.569 126 E N -4.742 115.578 120.200 0.201 0.000 3.065 126 E HA -0.389 nan 4.350 nan 0.000 0.277 126 E C -1.270 175.411 176.600 0.135 0.000 1.008 126 E CA 1.525 58.035 56.400 0.184 0.000 0.864 126 E CB -1.361 28.421 29.700 0.137 0.000 1.439 126 E HN 0.027 8.331 8.360 0.215 0.185 0.445 127 K N -0.111 120.380 120.400 0.152 0.000 2.276 127 K HA 0.043 nan 4.320 nan 0.000 0.283 127 K C -1.000 175.642 176.600 0.069 0.000 1.044 127 K CA -0.337 55.994 56.287 0.073 0.000 0.944 127 K CB 1.078 33.620 32.500 0.070 0.000 1.012 127 K HN -0.628 7.906 8.250 0.206 -0.160 0.472 128 D N 6.151 126.511 120.400 -0.066 0.000 2.414 128 D HA 0.099 nan 4.640 nan 0.000 0.242 128 D C -0.548 175.593 176.300 -0.266 0.000 1.129 128 D CA 0.652 54.576 54.000 -0.127 0.000 0.885 128 D CB 0.548 41.140 40.800 -0.347 0.000 1.198 128 D HN 0.176 8.491 8.370 -0.092 0.000 0.437 129 H N 1.350 120.378 119.070 -0.070 0.000 2.717 129 H HA 0.358 nan 4.556 nan 0.000 0.366 129 H C -2.232 173.086 175.328 -0.017 0.000 1.132 129 H CA -2.685 53.321 56.048 -0.071 0.000 1.180 129 H CB 2.984 32.685 29.762 -0.102 0.000 1.678 129 H HN -0.127 8.269 8.280 0.194 0.000 0.537 130 P HA -0.016 nan 4.420 nan 0.000 0.268 130 P C -1.031 176.330 177.300 0.102 0.000 1.205 130 P CA -0.233 62.926 63.100 0.098 0.000 0.771 130 P CB 0.590 32.324 31.700 0.055 0.000 0.858 131 T N -3.601 111.021 114.554 0.114 0.000 2.902 131 T HA 0.291 nan 4.350 nan 0.000 0.280 131 T C 1.204 175.957 174.700 0.088 0.000 0.992 131 T CA -1.902 60.230 62.100 0.054 0.000 1.015 131 T CB 2.458 71.314 68.868 -0.020 0.000 1.044 131 T HN -0.201 8.394 8.240 0.137 -0.272 0.520 132 I N 2.401 123.031 120.570 0.099 0.000 2.423 132 I HA -0.347 nan 4.170 nan 0.000 0.254 132 I C 0.718 176.629 176.117 -0.344 0.000 1.151 132 I CA 2.411 63.620 61.300 -0.150 0.000 1.421 132 I CB 0.183 37.990 38.000 -0.322 0.000 1.079 132 I HN 0.504 8.819 8.210 0.176 0.000 0.431 133 L N -0.994 120.078 121.223 -0.251 0.000 2.044 133 L HA -0.448 nan 4.340 nan 0.000 0.205 133 L C 1.308 178.156 176.870 -0.036 0.000 1.075 133 L CA 3.572 58.333 54.840 -0.130 0.000 0.747 133 L CB -0.338 41.744 42.059 0.037 0.000 0.903 133 L HN -0.822 7.288 8.230 -0.144 0.034 0.435 134 E N -0.750 119.449 120.200 -0.002 0.000 2.085 134 E HA -0.474 nan 4.350 nan 0.000 0.194 134 E C 2.702 179.309 176.600 0.011 0.000 0.994 134 E CA 3.370 59.787 56.400 0.028 0.000 0.801 134 E CB -0.168 29.570 29.700 0.062 0.000 0.743 134 E HN -0.490 7.870 8.360 -0.001 0.000 0.453 135 M N -1.247 118.348 119.600 -0.008 0.000 2.132 135 M HA -0.359 nan 4.480 nan 0.000 0.263 135 M C 2.094 178.370 176.300 -0.039 0.000 1.065 135 M CA 3.889 59.176 55.300 -0.020 0.000 1.122 135 M CB -0.017 32.565 32.600 -0.031 0.000 1.365 135 M HN -0.017 8.268 8.290 -0.009 0.000 0.411 136 A N -0.222 122.558 122.820 -0.067 0.000 1.902 136 A HA -0.340 nan 4.320 nan 0.000 0.217 136 A C 1.864 179.459 177.584 0.018 0.000 1.181 136 A CA 3.350 55.369 52.037 -0.031 0.000 0.623 136 A CB -1.004 17.985 19.000 -0.019 0.000 0.818 136 A HN 0.150 8.160 8.150 -0.111 0.074 0.443 137 K N -1.242 119.174 120.400 0.027 0.000 2.032 137 K HA -0.355 nan 4.320 nan 0.000 0.209 137 K C 2.751 179.366 176.600 0.025 0.000 1.048 137 K CA 3.213 59.522 56.287 0.037 0.000 0.927 137 K CB -0.060 32.463 32.500 0.038 0.000 0.712 137 K HN 0.139 8.400 8.250 0.018 0.000 0.441 138 A N -0.322 122.508 122.820 0.016 0.000 1.940 138 A HA -0.160 nan 4.320 nan 0.000 0.219 138 A C 1.523 179.113 177.584 0.010 0.000 1.176 138 A CA 2.679 54.724 52.037 0.013 0.000 0.631 138 A CB -0.722 18.283 19.000 0.009 0.000 0.814 138 A HN -0.074 8.084 8.150 0.013 0.000 0.446 139 A N -4.880 117.944 122.820 0.006 0.000 2.235 139 A HA -0.001 nan 4.320 nan 0.000 0.208 139 A C -0.060 177.532 177.584 0.015 0.000 1.172 139 A CA -0.109 51.931 52.037 0.005 0.000 0.786 139 A CB 0.299 19.296 19.000 -0.006 0.000 0.804 139 A HN -0.303 7.846 8.150 0.002 0.002 0.479 140 G N -3.318 105.496 108.800 0.023 0.000 2.159 140 G HA2 -0.322 nan 3.960 nan 0.000 0.227 140 G HA3 -0.322 nan 3.960 nan 0.000 0.227 140 G C -0.470 174.458 174.900 0.046 0.000 0.986 140 G CA -0.138 44.980 45.100 0.030 0.000 0.651 140 G HN -0.205 7.902 8.290 0.023 0.197 0.523 141 L N 0.198 121.456 121.223 0.058 0.000 2.439 141 L HA 0.124 nan 4.340 nan 0.000 0.261 141 L C -1.067 175.871 176.870 0.115 0.000 1.153 141 L CA -0.484 54.413 54.840 0.094 0.000 0.808 141 L CB 0.426 42.548 42.059 0.106 0.000 1.126 141 L HN -0.377 7.882 8.230 0.048 0.000 0.460 142 A N 0.052 122.966 122.820 0.155 0.000 2.351 142 A HA 0.438 nan 4.320 nan 0.000 0.257 142 A C -1.489 176.213 177.584 0.196 0.000 1.087 142 A CA -0.359 51.761 52.037 0.138 0.000 0.798 142 A CB 1.378 20.445 19.000 0.113 0.000 1.033 142 A HN 0.532 8.797 8.150 0.192 0.000 0.488 143 T N -3.755 110.889 114.554 0.150 0.000 2.912 143 T HA 0.811 nan 4.350 nan 0.000 0.299 143 T C -1.236 173.539 174.700 0.125 0.000 1.052 143 T CA -1.952 60.272 62.100 0.206 0.000 0.996 143 T CB 2.919 71.906 68.868 0.198 0.000 1.070 143 T HN 0.179 8.761 8.240 0.093 -0.287 0.465 144 G N 0.647 109.521 108.800 0.122 0.000 2.620 144 G HA2 0.548 nan 3.960 nan 0.000 0.301 144 G HA3 0.548 nan 3.960 nan 0.000 0.301 144 G C -3.390 171.543 174.900 0.056 0.000 1.347 144 G CA -0.800 44.324 45.100 0.039 0.000 0.971 144 G HN 0.434 8.833 8.290 0.182 0.000 0.488 145 N N 1.885 120.615 118.700 0.051 0.000 2.558 145 N HA 0.615 nan 4.740 nan 0.000 0.285 145 N C -2.082 173.451 175.510 0.037 0.000 1.112 145 N CA -0.721 52.368 53.050 0.064 0.000 0.857 145 N CB 2.668 41.210 38.487 0.093 0.000 1.376 145 N HN 0.178 8.581 8.380 0.038 0.000 0.526 146 V N 6.230 126.156 119.914 0.020 0.000 2.604 146 V HA 0.775 nan 4.120 nan 0.000 0.305 146 V C -2.066 174.040 176.094 0.020 0.000 1.043 146 V CA -1.555 60.755 62.300 0.017 0.000 0.888 146 V CB 3.348 35.163 31.823 -0.014 0.000 0.995 146 V HN 0.729 8.926 8.190 0.012 0.000 0.429 147 S N 4.920 120.639 115.700 0.032 0.000 2.547 147 S HA 0.598 nan 4.470 nan 0.000 0.270 147 S C -0.267 174.353 174.600 0.033 0.000 1.150 147 S CA -1.534 56.682 58.200 0.027 0.000 0.850 147 S CB 2.105 65.326 63.200 0.035 0.000 1.118 147 S HN 0.605 8.945 8.310 0.051 0.000 0.461 148 T N -2.237 112.328 114.554 0.018 0.000 3.081 148 T HA 0.374 nan 4.350 nan 0.000 0.250 148 T C 0.247 174.969 174.700 0.037 0.000 1.100 148 T CA 0.146 62.258 62.100 0.020 0.000 1.038 148 T CB 0.334 69.196 68.868 -0.010 0.000 0.962 148 T HN -0.062 8.184 8.240 0.009 0.000 0.516 149 A N 1.300 124.144 122.820 0.041 0.000 2.257 149 A HA 0.391 nan 4.320 nan 0.000 0.290 149 A C -1.103 176.509 177.584 0.047 0.000 1.201 149 A CA -1.788 50.280 52.037 0.051 0.000 0.863 149 A CB 1.241 20.275 19.000 0.056 0.000 1.256 149 A HN -0.241 7.869 8.150 0.037 0.062 0.506 150 E N -2.049 118.181 120.200 0.050 0.000 2.414 150 E HA -0.173 nan 4.350 nan 0.000 0.263 150 E C 1.798 178.381 176.600 -0.027 0.000 1.000 150 E CA 0.409 56.826 56.400 0.029 0.000 0.914 150 E CB -0.122 29.611 29.700 0.054 0.000 0.948 150 E HN -0.183 8.457 8.360 0.070 -0.238 0.444 151 L N 3.294 124.505 121.223 -0.020 0.000 2.353 151 L HA -0.297 nan 4.340 nan 0.000 0.220 151 L C 0.200 176.989 176.870 -0.135 0.000 1.133 151 L CA 1.236 56.055 54.840 -0.035 0.000 0.798 151 L CB -0.600 41.474 42.059 0.026 0.000 0.922 151 L HN 0.263 8.406 8.230 0.015 0.096 0.445 152 Q N -6.756 112.867 119.800 -0.294 0.000 2.403 152 Q HA 0.024 nan 4.340 nan 0.000 0.203 152 Q C -0.204 175.416 176.000 -0.635 0.000 0.932 152 Q CA 0.037 55.483 55.803 -0.595 0.000 0.945 152 Q CB -0.273 27.783 28.738 -1.137 0.000 1.045 152 Q HN -0.276 7.792 8.270 -0.255 0.049 0.511 153 D N 0.437 120.649 120.400 -0.313 0.000 2.357 153 D HA -0.023 nan 4.640 nan 0.000 0.242 153 D C 0.470 176.729 176.300 -0.068 0.000 1.153 153 D CA 0.205 54.148 54.000 -0.094 0.000 0.918 153 D CB 2.065 42.881 40.800 0.027 0.000 1.181 153 D HN -0.480 7.587 8.370 -0.213 0.175 0.435 154 A N 3.201 126.015 122.820 -0.010 0.000 1.894 154 A HA -0.423 nan 4.320 nan 0.000 0.220 154 A C 1.993 179.533 177.584 -0.073 0.000 1.237 154 A CA 3.524 55.532 52.037 -0.048 0.000 0.660 154 A CB -0.327 18.658 19.000 -0.026 0.000 0.835 154 A HN 0.752 8.931 8.150 0.049 0.000 0.461 155 T N -1.463 113.084 114.554 -0.012 0.000 2.674 155 T HA -0.057 nan 4.350 nan 0.000 0.265 155 T C -0.611 174.119 174.700 0.049 0.000 1.039 155 T CA 5.360 67.487 62.100 0.045 0.000 1.150 155 T CB -2.301 66.668 68.868 0.170 0.000 0.864 155 T HN 0.495 8.747 8.240 0.019 0.000 0.427 156 P HA -0.103 nan 4.420 nan 0.000 0.217 156 P C 0.919 178.205 177.300 -0.024 0.000 1.151 156 P CA 1.944 65.061 63.100 0.028 0.000 0.828 156 P CB -0.397 31.314 31.700 0.019 0.000 0.788 157 A N -1.204 121.570 122.820 -0.076 0.000 1.902 157 A HA -0.282 nan 4.320 nan 0.000 0.217 157 A C 1.764 179.259 177.584 -0.148 0.000 1.181 157 A CA 2.907 54.871 52.037 -0.120 0.000 0.623 157 A CB -0.916 17.991 19.000 -0.154 0.000 0.818 157 A HN -0.040 8.063 8.150 -0.079 0.000 0.443 158 A N -3.018 119.702 122.820 -0.167 0.000 2.076 158 A HA -0.224 nan 4.320 nan 0.000 0.220 158 A C 1.649 179.102 177.584 -0.219 0.000 1.160 158 A CA 2.507 54.402 52.037 -0.237 0.000 0.653 158 A CB -0.673 18.136 19.000 -0.318 0.000 0.801 158 A HN -0.136 7.926 8.150 -0.147 0.000 0.455 159 L N -4.772 116.383 121.223 -0.112 0.000 2.395 159 L HA -0.169 nan 4.340 nan 0.000 0.218 159 L C 1.039 177.863 176.870 -0.077 0.000 1.130 159 L CA 1.895 56.707 54.840 -0.046 0.000 0.826 159 L CB 0.581 42.690 42.059 0.083 0.000 0.941 159 L HN -0.682 7.465 8.230 -0.073 0.039 0.451 160 V N -10.536 109.306 119.914 -0.120 0.000 3.497 160 V HA 0.311 nan 4.120 nan 0.000 0.272 160 V C -0.351 175.636 176.094 -0.179 0.000 1.474 160 V CA -0.928 61.313 62.300 -0.099 0.000 1.025 160 V CB 1.246 33.051 31.823 -0.030 0.000 0.820 160 V HN -0.197 7.740 8.190 -0.142 0.167 0.437 161 A N 0.480 123.127 122.820 -0.287 0.000 2.354 161 A HA 0.334 nan 4.320 nan 0.000 0.321 161 A C -1.461 175.847 177.584 -0.461 0.000 1.125 161 A CA -0.793 51.093 52.037 -0.253 0.000 0.799 161 A CB 2.938 21.848 19.000 -0.150 0.000 1.293 161 A HN -0.205 7.766 8.150 -0.298 0.000 0.452 162 H N -0.450 118.594 119.070 -0.042 0.000 3.092 162 H HA 0.475 nan 4.556 nan 0.000 0.308 162 H C -1.471 173.841 175.328 -0.026 0.000 1.047 162 H CA -0.751 55.273 56.048 -0.040 0.000 1.466 162 H CB 1.275 31.019 29.762 -0.029 0.000 1.597 162 H HN 0.103 8.691 8.280 0.051 -0.277 0.512 163 V N -0.835 119.106 119.914 0.045 0.000 3.078 163 V HA 0.731 nan 4.120 nan 0.000 0.311 163 V C -0.063 176.053 176.094 0.037 0.000 1.138 163 V CA -2.634 59.691 62.300 0.041 0.000 1.007 163 V CB 3.413 35.249 31.823 0.021 0.000 1.045 163 V HN 0.287 8.476 8.190 -0.001 0.000 0.432 164 T N -2.526 112.072 114.554 0.074 0.000 3.085 164 T HA 0.036 nan 4.350 nan 0.000 0.263 164 T C 0.379 175.155 174.700 0.128 0.000 1.127 164 T CA 1.922 64.105 62.100 0.137 0.000 1.103 164 T CB 0.127 69.088 68.868 0.154 0.000 0.921 164 T HN 0.202 8.734 8.240 0.071 -0.248 0.510 165 S N 0.234 115.974 115.700 0.068 0.000 2.575 165 S HA 0.262 nan 4.470 nan 0.000 0.278 165 S C 0.628 175.253 174.600 0.041 0.000 1.139 165 S CA -1.763 56.473 58.200 0.060 0.000 0.954 165 S CB 1.391 64.632 63.200 0.069 0.000 1.054 165 S HN -0.867 7.436 8.310 0.053 0.038 0.483 166 R N 6.932 127.452 120.500 0.032 0.000 2.200 166 R HA -0.256 nan 4.340 nan 0.000 0.234 166 R C 0.681 177.079 176.300 0.163 0.000 1.127 166 R CA 2.539 58.679 56.100 0.067 0.000 0.989 166 R CB -0.350 29.983 30.300 0.055 0.000 0.869 166 R HN 0.684 8.961 8.270 0.013 0.000 0.459 167 K N -3.309 117.148 120.400 0.095 0.000 2.442 167 K HA -0.042 nan 4.320 nan 0.000 0.198 167 K C 0.919 177.573 176.600 0.090 0.000 1.042 167 K CA 1.167 57.474 56.287 0.035 0.000 0.958 167 K CB 0.113 32.594 32.500 -0.032 0.000 0.766 167 K HN -0.757 7.485 8.250 0.061 0.045 0.474 168 c N 2.831 121.509 118.600 0.129 0.000 3.247 168 c HA 0.073 nan 4.570 nan 0.000 0.573 168 c C 0.740 174.931 174.090 0.167 0.000 1.106 168 c CA 0.347 56.740 56.329 0.108 0.000 1.209 168 c CB -3.318 39.227 42.510 0.059 0.000 1.460 168 c HN -0.311 7.933 8.230 0.111 0.053 0.634 169 Y N 2.845 123.117 120.300 -0.046 0.000 2.114 169 Y HA -0.356 nan 4.550 nan 0.000 0.284 169 Y C 0.392 176.233 175.900 -0.099 0.000 1.143 169 Y CA 2.937 60.999 58.100 -0.064 0.000 1.135 169 Y CB 0.080 38.511 38.460 -0.049 0.000 0.980 169 Y HN 0.145 8.550 8.280 0.319 0.067 0.499 170 G N -7.188 101.661 108.800 0.083 0.000 2.798 170 G HA2 0.367 nan 3.960 nan 0.000 0.286 170 G HA3 0.367 nan 3.960 nan 0.000 0.286 170 G C -2.589 172.303 174.900 -0.013 0.000 1.389 170 G CA -1.914 43.173 45.100 -0.022 0.000 0.894 170 G HN -0.603 7.757 8.290 0.117 0.000 0.488 171 P HA -0.418 nan 4.420 nan 0.000 0.218 171 P C 1.444 178.742 177.300 -0.004 0.000 1.165 171 P CA 3.462 66.553 63.100 -0.015 0.000 0.922 171 P CB 0.376 32.067 31.700 -0.016 0.000 0.794 172 S N -2.265 113.433 115.700 -0.004 0.000 2.359 172 S HA -0.417 nan 4.470 nan 0.000 0.224 172 S C 1.991 176.589 174.600 -0.004 0.000 1.035 172 S CA 3.478 61.675 58.200 -0.004 0.000 1.018 172 S CB -0.636 62.560 63.200 -0.006 0.000 0.876 172 S HN -0.066 8.542 8.310 -0.007 -0.301 0.448 173 A N 1.501 124.319 122.820 -0.003 0.000 1.902 173 A HA -0.189 nan 4.320 nan 0.000 0.217 173 A C 1.962 179.549 177.584 0.006 0.000 1.181 173 A CA 2.771 54.804 52.037 -0.006 0.000 0.623 173 A CB -0.947 18.049 19.000 -0.008 0.000 0.818 173 A HN -0.322 7.829 8.150 0.000 0.000 0.443 174 T N 1.526 116.088 114.554 0.013 0.000 2.746 174 T HA -0.391 nan 4.350 nan 0.000 0.267 174 T C 2.717 177.423 174.700 0.011 0.000 1.039 174 T CA 4.891 67.000 62.100 0.015 0.000 1.142 174 T CB -0.763 68.112 68.868 0.013 0.000 0.866 174 T HN -0.041 8.207 8.240 0.013 0.000 0.444 175 S N 2.395 118.099 115.700 0.006 0.000 2.370 175 S HA -0.407 nan 4.470 nan 0.000 0.226 175 S C 2.026 176.628 174.600 0.004 0.000 1.033 175 S CA 3.627 61.830 58.200 0.005 0.000 1.011 175 S CB -0.025 63.177 63.200 0.003 0.000 0.852 175 S HN 0.169 8.482 8.310 0.004 0.000 0.457 176 E N -0.567 119.634 120.200 0.001 0.000 2.140 176 E HA -0.033 nan 4.350 nan 0.000 0.191 176 E C 1.593 178.195 176.600 0.002 0.000 0.973 176 E CA 1.985 58.385 56.400 -0.000 0.000 0.829 176 E CB 0.030 29.727 29.700 -0.005 0.000 0.781 176 E HN -0.622 7.738 8.360 0.000 0.000 0.466 177 K N -3.222 117.181 120.400 0.005 0.000 2.276 177 K HA 0.118 nan 4.320 nan 0.000 0.198 177 K C -0.306 176.307 176.600 0.021 0.000 1.052 177 K CA 1.491 57.784 56.287 0.011 0.000 0.984 177 K CB 1.688 34.193 32.500 0.008 0.000 0.836 177 K HN -0.048 8.205 8.250 0.005 0.000 0.490 178 c N 0.699 119.312 118.600 0.023 0.000 3.094 178 c HA 0.534 nan 4.570 nan 0.000 0.262 178 c C -1.217 172.886 174.090 0.022 0.000 1.459 178 c CA -2.459 53.888 56.329 0.029 0.000 1.570 178 c CB -1.948 40.583 42.510 0.035 0.000 2.056 178 c HN -0.024 8.103 8.230 0.018 0.113 0.499 179 P HA -0.174 nan 4.420 nan 0.000 0.216 179 P C 1.377 178.686 177.300 0.014 0.000 1.150 179 P CA 2.459 65.567 63.100 0.013 0.000 0.837 179 P CB 0.077 31.782 31.700 0.009 0.000 0.786 180 G N -2.779 106.031 108.800 0.017 0.000 2.559 180 G HA2 -0.224 nan 3.960 nan 0.000 0.216 180 G HA3 -0.224 nan 3.960 nan 0.000 0.216 180 G C -0.157 174.755 174.900 0.020 0.000 1.126 180 G CA 1.090 46.201 45.100 0.018 0.000 0.778 180 G HN 0.493 8.795 8.290 0.020 0.000 0.543 181 N N -0.457 118.258 118.700 0.024 0.000 2.322 181 N HA 0.046 nan 4.740 nan 0.000 0.181 181 N C -1.074 174.448 175.510 0.020 0.000 1.088 181 N CA 0.151 53.217 53.050 0.025 0.000 0.885 181 N CB 1.409 39.915 38.487 0.032 0.000 1.013 181 N HN -0.254 7.966 8.380 0.025 0.174 0.472 182 A N 0.305 123.135 122.820 0.017 0.000 2.566 182 A HA -0.111 nan 4.320 nan 0.000 0.245 182 A C 0.460 178.052 177.584 0.014 0.000 1.056 182 A CA 0.689 52.734 52.037 0.013 0.000 0.757 182 A CB 0.028 19.035 19.000 0.011 0.000 0.979 182 A HN -0.587 7.450 8.150 0.017 0.123 0.508 183 L N 3.221 124.453 121.223 0.016 0.000 2.042 183 L HA -0.358 nan 4.340 nan 0.000 0.210 183 L C 1.653 178.534 176.870 0.017 0.000 1.076 183 L CA 3.201 58.053 54.840 0.021 0.000 0.749 183 L CB 0.210 42.287 42.059 0.029 0.000 0.893 183 L HN 0.758 8.996 8.230 0.014 0.000 0.432 184 E N -1.866 118.342 120.200 0.014 0.000 2.472 184 E HA -0.212 nan 4.350 nan 0.000 0.200 184 E C 0.602 177.206 176.600 0.006 0.000 1.046 184 E CA 1.922 58.328 56.400 0.009 0.000 0.871 184 E CB -0.961 28.744 29.700 0.008 0.000 0.806 184 E HN 0.145 8.513 8.360 0.013 0.000 0.533 185 K N -1.735 118.669 120.400 0.007 0.000 2.576 185 K HA 0.087 nan 4.320 nan 0.000 0.209 185 K C -0.061 176.543 176.600 0.006 0.000 1.049 185 K CA -0.677 55.614 56.287 0.006 0.000 1.140 185 K CB -0.314 32.190 32.500 0.006 0.000 0.871 185 K HN -0.445 7.634 8.250 0.009 0.177 0.479 186 G N -1.919 106.885 108.800 0.007 0.000 2.162 186 G HA2 -0.338 nan 3.960 nan 0.000 0.260 186 G HA3 -0.338 nan 3.960 nan 0.000 0.260 186 G C 0.157 175.063 174.900 0.009 0.000 0.976 186 G CA -0.003 45.100 45.100 0.006 0.000 0.655 186 G HN -0.063 8.066 8.290 0.008 0.167 0.533 187 G N -0.950 107.857 108.800 0.012 0.000 2.588 187 G HA2 -0.075 nan 3.960 nan 0.000 0.281 187 G HA3 -0.075 nan 3.960 nan 0.000 0.281 187 G C -0.132 174.780 174.900 0.020 0.000 1.236 187 G CA -0.920 44.189 45.100 0.015 0.000 0.969 187 G HN -0.511 7.732 8.290 0.012 0.055 0.504 188 K N -1.220 119.194 120.400 0.023 0.000 2.439 188 K HA -0.015 nan 4.320 nan 0.000 0.197 188 K C 0.342 176.961 176.600 0.033 0.000 1.041 188 K CA 0.337 56.643 56.287 0.031 0.000 0.970 188 K CB 0.185 32.708 32.500 0.038 0.000 0.773 188 K HN 0.376 8.640 8.250 0.023 0.000 0.479 189 G N -2.715 106.100 108.800 0.024 0.000 2.462 189 G HA2 -0.152 nan 3.960 nan 0.000 0.685 189 G HA3 -0.152 nan 3.960 nan 0.000 0.685 189 G C -1.412 173.489 174.900 0.001 0.000 1.295 189 G CA -1.028 44.080 45.100 0.013 0.000 0.941 189 G HN -0.388 7.879 8.290 0.024 0.037 0.554 190 S N -0.505 115.183 115.700 -0.019 0.000 2.641 190 S HA 0.266 nan 4.470 nan 0.000 0.261 190 S C 1.337 175.904 174.600 -0.056 0.000 1.257 190 S CA -0.517 57.665 58.200 -0.029 0.000 0.983 190 S CB 1.746 64.921 63.200 -0.043 0.000 0.990 190 S HN -0.196 8.368 8.310 -0.027 -0.270 0.572 191 I N 1.268 121.797 120.570 -0.069 0.000 2.118 191 I HA -0.588 nan 4.170 nan 0.000 0.241 191 I C 1.918 177.938 176.117 -0.161 0.000 1.070 191 I CA 4.725 65.956 61.300 -0.114 0.000 1.327 191 I CB -0.509 37.401 38.000 -0.150 0.000 1.034 191 I HN 0.365 8.552 8.210 -0.038 0.000 0.405 192 T N 0.869 115.287 114.554 -0.227 0.000 2.746 192 T HA -0.348 nan 4.350 nan 0.000 0.267 192 T C 2.083 176.608 174.700 -0.292 0.000 1.039 192 T CA 5.060 66.944 62.100 -0.361 0.000 1.142 192 T CB -0.801 67.713 68.868 -0.590 0.000 0.866 192 T HN -0.073 8.045 8.240 -0.203 0.000 0.444 193 E N 1.498 121.579 120.200 -0.199 0.000 2.072 193 E HA -0.383 nan 4.350 nan 0.000 0.191 193 E C 2.282 178.836 176.600 -0.077 0.000 0.985 193 E CA 3.429 59.750 56.400 -0.132 0.000 0.801 193 E CB -0.394 29.265 29.700 -0.068 0.000 0.750 193 E HN -0.604 7.653 8.360 -0.171 0.000 0.452 194 Q N -0.448 119.319 119.800 -0.056 0.000 2.167 194 Q HA -0.276 nan 4.340 nan 0.000 0.202 194 Q C 2.665 178.653 176.000 -0.019 0.000 0.970 194 Q CA 3.002 58.796 55.803 -0.015 0.000 0.855 194 Q CB 0.058 28.794 28.738 -0.003 0.000 0.911 194 Q HN 0.035 8.264 8.270 -0.069 0.000 0.438 195 L N 0.817 122.005 121.223 -0.058 0.000 2.017 195 L HA -0.343 nan 4.340 nan 0.000 0.208 195 L C 1.781 178.651 176.870 0.001 0.000 1.073 195 L CA 3.247 58.067 54.840 -0.032 0.000 0.745 195 L CB -0.047 41.976 42.059 -0.059 0.000 0.894 195 L HN 0.147 8.239 8.230 -0.095 0.081 0.432 196 L N -2.300 118.885 121.223 -0.064 0.000 2.046 196 L HA -0.428 nan 4.340 nan 0.000 0.208 196 L C 1.988 178.901 176.870 0.070 0.000 1.077 196 L CA 2.313 57.111 54.840 -0.071 0.000 0.747 196 L CB -1.045 40.893 42.059 -0.202 0.000 0.896 196 L HN 0.006 8.165 8.230 -0.117 0.000 0.432 197 N N -2.472 116.249 118.700 0.036 0.000 2.188 197 N HA -0.189 nan 4.740 nan 0.000 0.184 197 N C 1.652 177.214 175.510 0.087 0.000 1.018 197 N CA 2.013 55.104 53.050 0.069 0.000 0.858 197 N CB 0.127 38.652 38.487 0.064 0.000 0.989 197 N HN -0.159 8.220 8.380 -0.002 0.000 0.426 198 A N -1.603 121.266 122.820 0.082 0.000 2.019 198 A HA -0.188 nan 4.320 nan 0.000 0.219 198 A C -0.123 177.517 177.584 0.093 0.000 1.164 198 A CA 0.887 52.973 52.037 0.081 0.000 0.644 198 A CB 0.172 19.212 19.000 0.067 0.000 0.805 198 A HN -0.002 8.102 8.150 0.066 0.086 0.449 199 R N -2.981 117.607 120.500 0.148 0.000 3.059 199 R HA -0.433 nan 4.340 nan 0.000 0.251 199 R C -1.491 174.846 176.300 0.062 0.000 0.886 199 R CA -0.056 56.118 56.100 0.123 0.000 0.634 199 R CB -1.455 28.856 30.300 0.019 0.000 1.282 199 R HN -0.600 7.766 8.270 0.194 0.021 0.487 200 A N -0.318 122.564 122.820 0.103 0.000 2.366 200 A HA 0.024 nan 4.320 nan 0.000 0.249 200 A C -0.208 177.401 177.584 0.041 0.000 1.084 200 A CA -0.356 51.729 52.037 0.081 0.000 0.794 200 A CB 0.763 19.825 19.000 0.104 0.000 1.034 200 A HN 0.163 8.404 8.150 0.152 0.000 0.491 201 D N 0.088 120.502 120.400 0.022 0.000 2.149 201 D HA -0.062 nan 4.640 nan 0.000 0.201 201 D C -0.209 176.083 176.300 -0.014 0.000 0.972 201 D CA 4.214 58.202 54.000 -0.019 0.000 0.835 201 D CB 0.764 41.551 40.800 -0.022 0.000 0.966 201 D HN -0.311 8.085 8.370 0.044 0.000 0.476 202 V N -2.977 116.939 119.914 0.004 0.000 2.525 202 V HA 0.491 nan 4.120 nan 0.000 0.299 202 V C -1.803 174.308 176.094 0.029 0.000 1.034 202 V CA -0.727 61.573 62.300 -0.000 0.000 0.863 202 V CB 2.289 34.085 31.823 -0.044 0.000 0.999 202 V HN -0.549 7.652 8.190 0.018 0.000 0.423 203 T N 10.021 124.597 114.554 0.038 0.000 2.881 203 T HA 0.822 nan 4.350 nan 0.000 0.291 203 T C -1.973 172.728 174.700 0.002 0.000 0.990 203 T CA -0.170 61.950 62.100 0.034 0.000 0.976 203 T CB 1.348 70.249 68.868 0.054 0.000 0.970 203 T HN 0.432 8.694 8.240 0.036 0.000 0.438 204 L N 5.623 126.864 121.223 0.030 0.000 2.464 204 L HA 0.888 nan 4.340 nan 0.000 0.266 204 L C -1.746 175.192 176.870 0.114 0.000 0.965 204 L CA -1.056 53.838 54.840 0.091 0.000 0.833 204 L CB 3.132 45.327 42.059 0.226 0.000 1.296 204 L HN 0.554 8.807 8.230 0.038 0.000 0.405 205 G N 0.965 109.836 108.800 0.119 0.000 2.336 205 G HA2 0.283 nan 3.960 nan 0.000 0.286 205 G HA3 0.283 nan 3.960 nan 0.000 0.286 205 G C -2.380 172.573 174.900 0.087 0.000 1.269 205 G CA 0.949 46.127 45.100 0.130 0.000 0.873 205 G HN 0.460 8.743 8.290 -0.012 0.000 0.494 206 G N -1.506 107.333 108.800 0.065 0.000 2.736 206 G HA2 0.689 nan 3.960 nan 0.000 0.229 206 G HA3 0.689 nan 3.960 nan 0.000 0.229 206 G C -0.489 174.424 174.900 0.022 0.000 1.380 206 G CA -1.843 43.283 45.100 0.043 0.000 1.040 206 G HN 0.172 8.499 8.290 0.062 0.000 0.568 207 G N -2.298 106.532 108.800 0.049 0.000 2.142 207 G HA2 -0.406 nan 3.960 nan 0.000 0.225 207 G HA3 -0.406 nan 3.960 nan 0.000 0.225 207 G C -0.188 174.801 174.900 0.150 0.000 1.015 207 G CA 0.157 45.313 45.100 0.094 0.000 0.716 207 G HN -0.179 8.064 8.290 0.053 0.079 0.508 208 A N -0.033 122.820 122.820 0.055 0.000 2.019 208 A HA -0.232 nan 4.320 nan 0.000 0.219 208 A C 1.427 179.097 177.584 0.143 0.000 1.164 208 A CA 2.207 54.260 52.037 0.027 0.000 0.644 208 A CB -0.428 18.532 19.000 -0.067 0.000 0.805 208 A HN 0.201 8.362 8.150 0.019 0.000 0.449 209 K N -1.352 119.119 120.400 0.119 0.000 2.020 209 K HA -0.349 nan 4.320 nan 0.000 0.212 209 K C 2.174 178.845 176.600 0.118 0.000 1.050 209 K CA 3.645 59.994 56.287 0.103 0.000 0.929 209 K CB -0.222 32.332 32.500 0.089 0.000 0.714 209 K HN -0.271 8.000 8.250 0.103 0.041 0.443 210 T N 1.463 116.096 114.554 0.132 0.000 2.929 210 T HA -0.145 nan 4.350 nan 0.000 0.271 210 T C 2.319 176.997 174.700 -0.036 0.000 1.085 210 T CA 3.468 65.594 62.100 0.043 0.000 1.125 210 T CB -0.766 68.112 68.868 0.017 0.000 0.874 210 T HN -0.227 8.109 8.240 0.160 0.000 0.494 211 F N 1.147 121.068 119.950 -0.048 0.000 2.546 211 F HA -0.183 nan 4.527 nan 0.000 0.298 211 F C 0.387 176.155 175.800 -0.054 0.000 1.120 211 F CA 1.930 59.886 58.000 -0.074 0.000 1.456 211 F CB -0.684 38.252 39.000 -0.106 0.000 1.088 211 F HN -0.445 7.968 8.300 0.427 0.143 0.572 212 A N -2.482 120.406 122.820 0.113 0.000 2.167 212 A HA -0.108 nan 4.320 nan 0.000 0.214 212 A C 0.049 177.649 177.584 0.028 0.000 1.151 212 A CA 0.319 52.393 52.037 0.061 0.000 0.735 212 A CB -0.351 18.679 19.000 0.050 0.000 0.802 212 A HN -0.387 7.673 8.150 0.123 0.164 0.467 213 E N -0.286 119.916 120.200 0.004 0.000 2.390 213 E HA -0.018 nan 4.350 nan 0.000 0.261 213 E C -0.690 175.905 176.600 -0.009 0.000 1.076 213 E CA -0.153 56.242 56.400 -0.009 0.000 0.905 213 E CB 1.325 31.009 29.700 -0.027 0.000 0.984 213 E HN -0.612 7.585 8.360 -0.007 0.159 0.427 214 T N -3.513 111.043 114.554 0.003 0.000 2.845 214 T HA 0.464 nan 4.350 nan 0.000 0.288 214 T C -0.367 174.343 174.700 0.016 0.000 0.980 214 T CA -2.303 59.807 62.100 0.016 0.000 1.071 214 T CB 0.713 69.595 68.868 0.022 0.000 0.941 214 T HN 0.064 8.307 8.240 0.005 0.000 0.487 215 A N 5.141 127.983 122.820 0.036 0.000 2.511 215 A HA 0.138 nan 4.320 nan 0.000 0.242 215 A C 0.894 178.503 177.584 0.041 0.000 1.069 215 A CA 0.251 52.315 52.037 0.045 0.000 0.763 215 A CB 1.098 20.158 19.000 0.101 0.000 1.001 215 A HN 0.157 8.338 8.150 0.051 0.000 0.498 216 T N -2.225 112.346 114.554 0.029 0.000 3.023 216 T HA -0.113 nan 4.350 nan 0.000 0.266 216 T C -0.363 174.351 174.700 0.023 0.000 1.093 216 T CA 1.400 63.513 62.100 0.022 0.000 1.129 216 T CB 0.079 68.955 68.868 0.014 0.000 0.899 216 T HN 0.817 9.072 8.240 0.025 0.000 0.491 217 A N 0.115 122.954 122.820 0.032 0.000 2.534 217 A HA 0.324 nan 4.320 nan 0.000 0.300 217 A C -1.426 176.180 177.584 0.037 0.000 1.223 217 A CA -0.911 51.140 52.037 0.023 0.000 0.666 217 A CB 1.947 20.956 19.000 0.016 0.000 1.316 217 A HN -0.637 7.502 8.150 0.045 0.038 0.468 218 G N -2.083 106.723 108.800 0.010 0.000 2.782 218 G HA2 -0.297 nan 3.960 nan 0.000 0.228 218 G HA3 -0.297 nan 3.960 nan 0.000 0.228 218 G C 0.403 175.246 174.900 -0.095 0.000 1.372 218 G CA -0.261 44.836 45.100 -0.005 0.000 0.862 218 G HN -0.191 8.096 8.290 -0.005 0.000 0.547 219 E N -0.116 119.922 120.200 -0.270 0.000 2.160 219 E HA -0.202 nan 4.350 nan 0.000 0.195 219 E C 0.116 176.320 176.600 -0.660 0.000 0.991 219 E CA 2.431 58.456 56.400 -0.624 0.000 0.810 219 E CB 0.096 29.081 29.700 -1.191 0.000 0.742 219 E HN 0.390 8.618 8.360 -0.221 0.000 0.466 220 W N -2.545 118.758 121.300 0.005 0.000 2.937 220 W HA 0.305 nan 4.660 nan 0.000 0.435 220 W C -1.167 175.352 176.519 0.000 0.000 0.912 220 W CA -1.812 55.536 57.345 0.005 0.000 2.209 220 W CB -0.683 28.781 29.460 0.008 0.000 1.144 220 W HN -0.368 7.858 8.180 0.127 0.030 0.762 221 Q N 0.558 120.413 119.800 0.092 0.000 2.286 221 Q HA -0.398 nan 4.340 nan 0.000 0.290 221 Q C 0.954 176.992 176.000 0.063 0.000 1.049 221 Q CA 2.252 58.094 55.803 0.064 0.000 0.923 221 Q CB -0.224 28.524 28.738 0.016 0.000 1.183 221 Q HN -0.429 7.761 8.270 0.005 0.083 0.383 222 G N 6.515 115.351 108.800 0.059 0.000 2.284 222 G HA2 -0.531 nan 3.960 nan 0.000 0.247 222 G HA3 -0.531 nan 3.960 nan 0.000 0.247 222 G C -0.904 174.034 174.900 0.063 0.000 1.012 222 G CA -0.091 45.038 45.100 0.049 0.000 0.618 222 G HN 0.648 8.973 8.290 0.058 0.000 0.521 223 K N 2.022 122.482 120.400 0.099 0.000 2.126 223 K HA 0.189 nan 4.320 nan 0.000 0.257 223 K C -0.081 176.562 176.600 0.072 0.000 1.007 223 K CA -0.675 55.673 56.287 0.100 0.000 0.928 223 K CB 0.987 33.585 32.500 0.164 0.000 1.013 223 K HN -0.462 7.782 8.250 0.129 0.084 0.473 224 T N -3.049 111.534 114.554 0.049 0.000 2.868 224 T HA 0.405 nan 4.350 nan 0.000 0.292 224 T C 1.700 176.408 174.700 0.014 0.000 1.028 224 T CA -0.701 61.417 62.100 0.030 0.000 1.059 224 T CB 0.828 69.716 68.868 0.034 0.000 0.991 224 T HN -0.047 8.515 8.240 0.050 -0.292 0.531 225 L N 1.131 122.345 121.223 -0.015 0.000 2.191 225 L HA -0.350 nan 4.340 nan 0.000 0.212 225 L C 2.071 178.979 176.870 0.064 0.000 1.103 225 L CA 3.460 58.262 54.840 -0.063 0.000 0.769 225 L CB -0.884 41.035 42.059 -0.235 0.000 0.908 225 L HN 0.619 8.837 8.230 -0.020 0.000 0.438 226 R N -0.381 120.200 120.500 0.135 0.000 2.066 226 R HA -0.406 nan 4.340 nan 0.000 0.232 226 R C 1.820 178.119 176.300 -0.002 0.000 1.131 226 R CA 4.017 60.171 56.100 0.090 0.000 0.955 226 R CB -0.235 30.096 30.300 0.051 0.000 0.851 226 R HN 0.253 8.579 8.270 0.118 0.015 0.432 227 E N -0.749 119.452 120.200 0.003 0.000 2.077 227 E HA -0.430 nan 4.350 nan 0.000 0.193 227 E C 2.149 178.723 176.600 -0.045 0.000 0.989 227 E CA 3.078 59.478 56.400 0.002 0.000 0.800 227 E CB -0.387 29.336 29.700 0.038 0.000 0.746 227 E HN -0.587 7.702 8.360 0.020 0.083 0.452 228 Q N -0.125 119.603 119.800 -0.120 0.000 2.061 228 Q HA -0.371 nan 4.340 nan 0.000 0.204 228 Q C 2.217 177.997 176.000 -0.366 0.000 0.984 228 Q CA 3.150 58.713 55.803 -0.399 0.000 0.846 228 Q CB -0.080 28.390 28.738 -0.448 0.000 0.902 228 Q HN 0.125 8.354 8.270 -0.069 0.000 0.421 229 A N -1.286 121.399 122.820 -0.225 0.000 1.908 229 A HA -0.369 nan 4.320 nan 0.000 0.218 229 A C 2.197 179.773 177.584 -0.012 0.000 1.181 229 A CA 3.210 55.126 52.037 -0.201 0.000 0.627 229 A CB -0.964 17.871 19.000 -0.275 0.000 0.818 229 A HN -0.130 7.849 8.150 -0.161 0.074 0.445 230 E N -1.025 119.158 120.200 -0.028 0.000 2.031 230 E HA -0.399 nan 4.350 nan 0.000 0.193 230 E C 2.881 179.501 176.600 0.033 0.000 0.994 230 E CA 2.898 59.306 56.400 0.015 0.000 0.800 230 E CB -0.122 29.579 29.700 0.002 0.000 0.752 230 E HN -0.292 8.033 8.360 -0.058 0.000 0.447 231 A N -0.512 122.317 122.820 0.016 0.000 2.024 231 A HA -0.177 nan 4.320 nan 0.000 0.220 231 A C 1.623 179.258 177.584 0.084 0.000 1.164 231 A CA 2.577 54.658 52.037 0.074 0.000 0.643 231 A CB -0.534 18.555 19.000 0.148 0.000 0.806 231 A HN 0.215 8.353 8.150 -0.019 0.000 0.451 232 R N -4.051 116.456 120.500 0.011 0.000 2.310 232 R HA 0.054 nan 4.340 nan 0.000 0.202 232 R C -0.021 176.315 176.300 0.061 0.000 0.933 232 R CA -0.240 55.888 56.100 0.047 0.000 1.054 232 R CB 0.251 30.536 30.300 -0.025 0.000 0.985 232 R HN -0.119 7.997 8.270 -0.050 0.124 0.489 233 G N -2.184 106.653 108.800 0.062 0.000 2.144 233 G HA2 -0.384 nan 3.960 nan 0.000 0.218 233 G HA3 -0.384 nan 3.960 nan 0.000 0.218 233 G C -0.448 174.434 174.900 -0.031 0.000 0.988 233 G CA -0.175 44.925 45.100 0.000 0.000 0.659 233 G HN -0.025 8.130 8.290 0.077 0.182 0.522 234 Y N 0.393 120.658 120.300 -0.057 0.000 2.377 234 Y HA -0.254 nan 4.550 nan 0.000 0.330 234 Y C -0.202 175.656 175.900 -0.069 0.000 1.108 234 Y CA 1.357 59.418 58.100 -0.066 0.000 1.308 234 Y CB 0.461 38.872 38.460 -0.082 0.000 1.216 234 Y HN -0.380 8.067 8.280 0.278 0.000 0.518 235 Q N 3.657 123.496 119.800 0.066 0.000 2.323 235 Q HA 0.010 nan 4.340 nan 0.000 0.257 235 Q C -1.039 174.962 176.000 0.002 0.000 1.022 235 Q CA -0.586 55.226 55.803 0.016 0.000 0.919 235 Q CB 0.308 29.040 28.738 -0.010 0.000 1.220 235 Q HN 0.807 9.095 8.270 0.030 0.000 0.427 236 L N 4.576 125.776 121.223 -0.038 0.000 2.312 236 L HA 0.537 nan 4.340 nan 0.000 0.281 236 L C -1.025 175.773 176.870 -0.119 0.000 1.070 236 L CA 0.141 54.912 54.840 -0.115 0.000 0.805 236 L CB 0.948 42.918 42.059 -0.148 0.000 1.174 236 L HN 0.098 8.311 8.230 -0.029 0.000 0.434 237 V N 4.577 124.382 119.914 -0.182 0.000 2.789 237 V HA 0.458 nan 4.120 nan 0.000 0.311 237 V C -1.086 174.848 176.094 -0.267 0.000 1.073 237 V CA -1.125 61.090 62.300 -0.142 0.000 0.921 237 V CB 3.478 35.260 31.823 -0.068 0.000 1.009 237 V HN 0.431 8.464 8.190 -0.263 0.000 0.426 238 S N 2.139 117.768 115.700 -0.119 0.000 2.780 238 S HA 0.393 nan 4.470 nan 0.000 0.248 238 S C -1.769 172.951 174.600 0.200 0.000 1.036 238 S CA -0.210 57.923 58.200 -0.112 0.000 1.061 238 S CB 0.789 63.930 63.200 -0.098 0.000 1.037 238 S HN 0.572 8.859 8.310 -0.038 0.000 0.584 239 D N -2.700 117.894 120.400 0.325 0.000 2.639 239 D HA 0.174 nan 4.640 nan 0.000 0.271 239 D C -0.931 175.485 176.300 0.194 0.000 1.254 239 D CA -1.088 53.081 54.000 0.280 0.000 0.810 239 D CB 1.344 42.211 40.800 0.113 0.000 1.351 239 D HN -0.809 7.724 8.370 0.273 0.000 0.427 240 A N -1.796 121.026 122.820 0.002 0.000 1.940 240 A HA -0.305 nan 4.320 nan 0.000 0.219 240 A C 1.616 179.194 177.584 -0.011 0.000 1.176 240 A CA 3.643 55.637 52.037 -0.071 0.000 0.631 240 A CB -0.402 18.533 19.000 -0.107 0.000 0.814 240 A HN 0.600 8.635 8.150 -0.022 0.102 0.446 241 A N -1.762 121.063 122.820 0.009 0.000 1.877 241 A HA -0.292 nan 4.320 nan 0.000 0.216 241 A C 2.318 179.914 177.584 0.021 0.000 1.186 241 A CA 3.009 55.052 52.037 0.009 0.000 0.620 241 A CB -0.839 18.166 19.000 0.009 0.000 0.822 241 A HN -0.326 7.933 8.150 0.013 -0.101 0.443 242 S N -0.725 115.001 115.700 0.042 0.000 2.368 242 S HA -0.351 nan 4.470 nan 0.000 0.225 242 S C 1.900 176.531 174.600 0.052 0.000 1.030 242 S CA 3.192 61.417 58.200 0.042 0.000 0.999 242 S CB -0.165 63.063 63.200 0.047 0.000 0.844 242 S HN -0.582 8.038 8.310 0.053 -0.279 0.459 243 L N 0.679 121.959 121.223 0.095 0.000 2.046 243 L HA -0.253 nan 4.340 nan 0.000 0.208 243 L C 1.904 178.792 176.870 0.030 0.000 1.077 243 L CA 2.742 57.641 54.840 0.098 0.000 0.747 243 L CB -0.055 42.090 42.059 0.144 0.000 0.896 243 L HN -0.151 8.154 8.230 0.125 0.000 0.432 244 N N -1.599 117.105 118.700 0.008 0.000 2.364 244 N HA -0.227 nan 4.740 nan 0.000 0.183 244 N C 2.090 177.596 175.510 -0.007 0.000 1.022 244 N CA 2.940 55.984 53.050 -0.010 0.000 0.883 244 N CB -0.455 38.022 38.487 -0.016 0.000 0.965 244 N HN 0.027 8.414 8.380 0.010 0.000 0.438 245 S N -1.059 114.641 115.700 0.001 0.000 2.522 245 S HA -0.129 nan 4.470 nan 0.000 0.227 245 S C 0.080 174.677 174.600 -0.006 0.000 0.986 245 S CA 1.376 59.575 58.200 -0.002 0.000 0.929 245 S CB 0.196 63.397 63.200 0.001 0.000 0.769 245 S HN -0.815 7.364 8.310 0.008 0.136 0.529 246 V N 2.427 122.337 119.914 -0.005 0.000 2.521 246 V HA -0.043 nan 4.120 nan 0.000 0.286 246 V C 0.636 176.718 176.094 -0.020 0.000 1.034 246 V CA 1.281 63.574 62.300 -0.012 0.000 1.045 246 V CB -0.205 31.611 31.823 -0.010 0.000 0.974 246 V HN -0.441 7.584 8.190 -0.001 0.164 0.480 247 T N 3.116 117.657 114.554 -0.021 0.000 3.039 247 T HA 0.075 nan 4.350 nan 0.000 0.250 247 T C -1.374 173.309 174.700 -0.029 0.000 1.052 247 T CA 1.139 63.226 62.100 -0.023 0.000 1.125 247 T CB 0.576 69.434 68.868 -0.017 0.000 0.908 247 T HN 0.508 8.737 8.240 -0.018 0.000 0.473 248 E N -0.857 119.325 120.200 -0.031 0.000 2.356 248 E HA 0.190 nan 4.350 nan 0.000 0.275 248 E C -2.550 174.024 176.600 -0.042 0.000 0.904 248 E CA -1.366 55.012 56.400 -0.036 0.000 0.757 248 E CB 3.106 32.788 29.700 -0.029 0.000 1.232 248 E HN -0.684 7.659 8.360 -0.028 0.000 0.442 249 A N 2.013 124.803 122.820 -0.051 0.000 2.408 249 A HA 0.376 nan 4.320 nan 0.000 0.295 249 A C -1.966 175.583 177.584 -0.058 0.000 1.040 249 A CA -0.319 51.684 52.037 -0.057 0.000 0.707 249 A CB 1.631 20.596 19.000 -0.059 0.000 1.235 249 A HN 0.242 8.360 8.150 -0.053 0.000 0.418 250 N N 2.921 121.581 118.700 -0.066 0.000 3.277 250 N HA 0.120 nan 4.740 nan 0.000 0.278 250 N C -0.151 175.309 175.510 -0.083 0.000 1.544 250 N CA -0.806 52.209 53.050 -0.058 0.000 0.869 250 N CB 0.871 39.333 38.487 -0.041 0.000 1.584 250 N HN -0.015 8.201 8.380 -0.080 0.115 0.564 251 Q N -2.821 116.939 119.800 -0.067 0.000 2.226 251 Q HA -0.202 nan 4.340 nan 0.000 0.204 251 Q C 1.614 177.551 176.000 -0.104 0.000 0.975 251 Q CA 3.495 59.247 55.803 -0.085 0.000 0.866 251 Q CB -0.427 28.284 28.738 -0.047 0.000 0.915 251 Q HN 0.497 8.740 8.270 -0.044 0.000 0.440 252 Q N -1.929 117.823 119.800 -0.080 0.000 2.187 252 Q HA -0.131 nan 4.340 nan 0.000 0.199 252 Q C 0.335 176.278 176.000 -0.096 0.000 0.957 252 Q CA 1.786 57.547 55.803 -0.071 0.000 0.857 252 Q CB 0.709 29.421 28.738 -0.043 0.000 0.929 252 Q HN -0.467 7.890 8.270 -0.065 -0.125 0.453 253 K N -2.354 117.980 120.400 -0.110 0.000 2.814 253 K HA 0.444 nan 4.320 nan 0.000 0.205 253 K C -2.705 173.805 176.600 -0.151 0.000 1.093 253 K CA -2.953 53.261 56.287 -0.121 0.000 1.035 253 K CB 0.327 32.786 32.500 -0.069 0.000 1.220 253 K HN -0.168 8.217 8.250 -0.098 -0.194 0.576 254 P HA 0.267 nan 4.420 nan 0.000 0.275 254 P C -2.013 175.217 177.300 -0.117 0.000 1.228 254 P CA -0.481 62.461 63.100 -0.264 0.000 0.786 254 P CB 0.593 31.973 31.700 -0.535 0.000 0.927 255 L N 3.349 124.558 121.223 -0.023 0.000 2.292 255 L HA 0.737 nan 4.340 nan 0.000 0.284 255 L C -2.114 174.804 176.870 0.080 0.000 1.065 255 L CA -0.841 54.012 54.840 0.023 0.000 0.806 255 L CB 1.909 43.963 42.059 -0.008 0.000 1.175 255 L HN 0.503 8.713 8.230 -0.034 0.000 0.431 256 L N 7.997 129.245 121.223 0.041 0.000 2.415 256 L HA 0.643 nan 4.340 nan 0.000 0.268 256 L C -2.084 174.634 176.870 -0.254 0.000 0.984 256 L CA -0.929 53.864 54.840 -0.078 0.000 0.853 256 L CB 3.263 45.251 42.059 -0.118 0.000 1.215 256 L HN 0.833 9.074 8.230 0.018 0.000 0.419 257 G N 5.699 114.296 108.800 -0.338 0.000 2.347 257 G HA2 0.615 nan 3.960 nan 0.000 0.314 257 G HA3 0.615 nan 3.960 nan 0.000 0.314 257 G C -2.476 171.817 174.900 -1.012 0.000 1.126 257 G CA -1.168 43.483 45.100 -0.749 0.000 0.929 257 G HN 0.999 9.151 8.290 -0.229 0.000 0.441 258 L N 5.657 126.307 121.223 -0.955 0.000 2.301 258 L HA 0.411 nan 4.340 nan 0.000 0.278 258 L C -0.778 175.745 176.870 -0.579 0.000 1.022 258 L CA -0.975 53.473 54.840 -0.653 0.000 0.854 258 L CB 0.137 41.879 42.059 -0.528 0.000 1.226 258 L HN 0.488 8.203 8.230 -0.858 0.000 0.429 259 F N 2.524 122.426 119.950 -0.079 0.000 2.664 259 F HA 0.097 nan 4.527 nan 0.000 0.303 259 F C -0.445 175.332 175.800 -0.037 0.000 1.092 259 F CA -0.564 57.404 58.000 -0.054 0.000 1.305 259 F CB 0.615 39.587 39.000 -0.047 0.000 1.054 259 F HN 0.489 8.661 8.300 -0.212 0.000 0.565 260 A N -2.893 119.973 122.820 0.078 0.000 2.599 260 A HA 0.129 nan 4.320 nan 0.000 0.294 260 A C -1.248 176.355 177.584 0.031 0.000 1.055 260 A CA -0.518 51.555 52.037 0.060 0.000 0.683 260 A CB 2.168 21.213 19.000 0.075 0.000 1.278 260 A HN -0.831 7.262 8.150 0.004 0.059 0.412 261 D N 1.626 122.047 120.400 0.035 0.000 2.123 261 D HA -0.171 nan 4.640 nan 0.000 0.200 261 D C 1.143 177.480 176.300 0.061 0.000 0.976 261 D CA 3.585 57.610 54.000 0.041 0.000 0.831 261 D CB 0.395 41.218 40.800 0.039 0.000 0.974 261 D HN 0.571 8.964 8.370 0.038 0.000 0.469 262 G N -2.215 106.623 108.800 0.062 0.000 3.410 262 G HA2 0.064 nan 3.960 nan 0.000 0.189 262 G HA3 0.064 nan 3.960 nan 0.000 0.189 262 G C -1.356 173.587 174.900 0.072 0.000 1.404 262 G CA -0.525 44.622 45.100 0.078 0.000 0.898 262 G HN -0.254 8.068 8.290 0.054 0.000 0.650 263 N N -0.087 118.655 118.700 0.070 0.000 2.525 263 N HA 0.085 nan 4.740 nan 0.000 0.271 263 N C -0.159 175.384 175.510 0.054 0.000 1.194 263 N CA 0.148 53.235 53.050 0.063 0.000 0.964 263 N CB 0.598 39.122 38.487 0.062 0.000 1.126 263 N HN 0.017 8.438 8.380 0.069 0.000 0.452 264 M N 2.539 122.171 119.600 0.052 0.000 2.232 264 M HA 0.108 nan 4.480 nan 0.000 0.321 264 M C -1.668 174.647 176.300 0.025 0.000 1.101 264 M CA -0.356 54.971 55.300 0.045 0.000 1.181 264 M CB -0.113 32.512 32.600 0.042 0.000 1.432 264 M HN 0.441 8.762 8.290 0.052 0.000 0.457 265 P HA -0.059 nan 4.420 nan 0.000 0.269 265 P C -1.678 175.622 177.300 0.000 0.000 1.209 265 P CA -0.140 62.968 63.100 0.014 0.000 0.776 265 P CB 0.247 31.956 31.700 0.015 0.000 0.876 266 V N 1.083 121.000 119.914 0.006 0.000 2.924 266 V HA 0.058 nan 4.120 nan 0.000 0.305 266 V C 0.239 176.332 176.094 -0.001 0.000 1.073 266 V CA 0.223 62.518 62.300 -0.008 0.000 1.098 266 V CB 0.451 32.279 31.823 0.008 0.000 1.000 266 V HN -0.244 7.956 8.190 0.016 0.000 0.484 267 R N 4.335 124.803 120.500 -0.054 0.000 2.075 267 R HA -0.075 nan 4.340 nan 0.000 0.226 267 R C -0.848 175.559 176.300 0.179 0.000 1.114 267 R CA 2.462 58.532 56.100 -0.050 0.000 0.972 267 R CB 1.356 31.477 30.300 -0.298 0.000 0.869 267 R HN 0.026 8.477 8.270 -0.106 -0.245 0.437 268 W N -6.263 115.031 121.300 -0.009 0.000 2.844 268 W HA 0.530 nan 4.660 nan 0.000 0.340 268 W C -0.443 176.066 176.519 -0.017 0.000 1.093 268 W CA -1.822 55.518 57.345 -0.009 0.000 1.212 268 W CB 2.013 31.463 29.460 -0.017 0.000 1.422 268 W HN -0.662 7.554 8.180 0.059 0.000 0.515 269 L N 0.530 121.880 121.223 0.210 0.000 2.322 269 L HA 0.472 nan 4.340 nan 0.000 0.269 269 L C -1.117 175.797 176.870 0.073 0.000 1.012 269 L CA -1.084 53.821 54.840 0.108 0.000 0.815 269 L CB 2.290 44.390 42.059 0.069 0.000 1.295 269 L HN 1.003 9.347 8.230 0.191 0.000 0.438 270 G N -1.958 106.870 108.800 0.047 0.000 2.547 270 G HA2 0.284 nan 3.960 nan 0.000 0.291 270 G HA3 0.284 nan 3.960 nan 0.000 0.291 270 G C -2.916 171.994 174.900 0.017 0.000 1.471 270 G CA -0.645 44.471 45.100 0.026 0.000 0.798 270 G HN -0.231 8.085 8.290 0.043 0.000 0.504 271 P HA 0.100 nan 4.420 nan 0.000 0.274 271 P C -1.288 176.010 177.300 -0.003 0.000 1.246 271 P CA -0.670 62.435 63.100 0.008 0.000 0.795 271 P CB 1.540 33.248 31.700 0.013 0.000 1.006 272 K N -1.282 119.110 120.400 -0.013 0.000 2.219 272 K HA -0.055 nan 4.320 nan 0.000 0.258 272 K C -0.448 176.140 176.600 -0.021 0.000 1.008 272 K CA -0.837 55.425 56.287 -0.041 0.000 0.928 272 K CB 0.874 33.349 32.500 -0.043 0.000 0.983 272 K HN -0.078 8.168 8.250 -0.007 0.000 0.484 273 A N 3.755 126.548 122.820 -0.044 0.000 2.425 273 A HA 0.198 nan 4.320 nan 0.000 0.249 273 A C -0.624 176.984 177.584 0.040 0.000 1.084 273 A CA 0.236 52.292 52.037 0.032 0.000 0.781 273 A CB 0.842 19.899 19.000 0.096 0.000 1.019 273 A HN 0.284 8.356 8.150 -0.130 0.000 0.490 274 T N -1.035 113.560 114.554 0.068 0.000 2.907 274 T HA 0.223 nan 4.350 nan 0.000 0.290 274 T C -1.793 172.970 174.700 0.105 0.000 1.066 274 T CA -1.943 60.205 62.100 0.080 0.000 1.012 274 T CB 2.234 71.142 68.868 0.067 0.000 1.184 274 T HN 0.220 8.504 8.240 0.073 0.000 0.522 275 Y N 2.192 122.490 120.300 -0.002 0.000 2.677 275 Y HA -0.285 nan 4.550 nan 0.000 0.335 275 Y C -0.353 175.543 175.900 -0.007 0.000 1.162 275 Y CA 1.859 59.921 58.100 -0.064 0.000 1.483 275 Y CB -0.274 38.105 38.460 -0.134 0.000 1.209 275 Y HN 0.093 8.499 8.280 0.211 0.000 0.528 276 H N 3.471 122.224 119.070 -0.528 0.000 2.861 276 H HA -0.256 nan 4.556 nan 0.000 0.289 276 H C 0.891 176.126 175.328 -0.156 0.000 1.176 276 H CA 0.665 56.479 56.048 -0.390 0.000 1.146 276 H CB -2.570 26.894 29.762 -0.496 0.000 1.330 276 H HN 0.589 8.614 8.280 -0.425 0.000 0.379 277 G N -1.728 107.091 108.800 0.032 0.000 2.462 277 G HA2 -0.441 nan 3.960 nan 0.000 0.220 277 G HA3 -0.441 nan 3.960 nan 0.000 0.220 277 G C 0.355 175.273 174.900 0.029 0.000 1.121 277 G CA 1.947 47.071 45.100 0.040 0.000 0.758 277 G HN 0.153 8.336 8.290 0.026 0.122 0.559 278 N N 0.252 118.965 118.700 0.021 0.000 2.354 278 N HA -0.120 nan 4.740 nan 0.000 0.179 278 N C 0.683 176.181 175.510 -0.020 0.000 1.021 278 N CA 2.152 55.206 53.050 0.007 0.000 0.887 278 N CB -0.345 38.145 38.487 0.005 0.000 0.974 278 N HN -0.543 7.827 8.380 0.027 0.027 0.437 279 I N -0.494 120.048 120.570 -0.047 0.000 2.494 279 I HA -0.084 nan 4.170 nan 0.000 0.250 279 I C 1.408 177.502 176.117 -0.039 0.000 1.112 279 I CA 1.746 62.998 61.300 -0.080 0.000 1.438 279 I CB -0.206 37.675 38.000 -0.198 0.000 1.111 279 I HN -0.251 7.793 8.210 -0.039 0.142 0.431 280 D N -1.451 118.943 120.400 -0.010 0.000 2.338 280 D HA 0.089 nan 4.640 nan 0.000 0.208 280 D C -0.145 176.163 176.300 0.014 0.000 0.997 280 D CA 1.284 55.290 54.000 0.009 0.000 0.880 280 D CB 0.986 41.806 40.800 0.033 0.000 0.980 280 D HN -0.142 8.228 8.370 -0.001 0.000 0.509 281 K N -0.160 120.250 120.400 0.016 0.000 2.221 281 K HA 0.373 nan 4.320 nan 0.000 0.243 281 K C -2.317 174.293 176.600 0.016 0.000 0.968 281 K CA -2.397 53.901 56.287 0.019 0.000 0.846 281 K CB 1.755 34.270 32.500 0.026 0.000 1.141 281 K HN -0.495 7.764 8.250 0.014 0.000 0.434 282 P HA -0.057 nan 4.420 nan 0.000 0.270 282 P C -1.396 175.917 177.300 0.022 0.000 1.227 282 P CA -0.047 63.062 63.100 0.015 0.000 0.788 282 P CB 0.289 31.996 31.700 0.012 0.000 0.926 283 A N -0.485 122.349 122.820 0.023 0.000 2.388 283 A HA 0.136 nan 4.320 nan 0.000 0.257 283 A C 0.031 177.640 177.584 0.042 0.000 1.095 283 A CA -0.378 51.681 52.037 0.036 0.000 0.791 283 A CB 0.812 19.833 19.000 0.034 0.000 1.029 283 A HN -0.057 8.103 8.150 0.017 0.000 0.489 284 V N 2.509 122.459 119.914 0.060 0.000 2.567 284 V HA 0.118 nan 4.120 nan 0.000 0.289 284 V C -0.464 175.688 176.094 0.096 0.000 1.049 284 V CA -0.125 62.210 62.300 0.059 0.000 0.969 284 V CB 1.792 33.645 31.823 0.050 0.000 0.995 284 V HN 0.474 8.598 8.190 0.070 0.108 0.471 285 T N 5.595 120.188 114.554 0.065 0.000 2.792 285 T HA 0.403 nan 4.350 nan 0.000 0.280 285 T C -0.379 174.333 174.700 0.020 0.000 0.990 285 T CA -0.813 61.339 62.100 0.086 0.000 0.960 285 T CB 0.529 69.407 68.868 0.016 0.000 0.939 285 T HN 0.134 8.394 8.240 0.034 0.000 0.439 286 c N 7.018 125.618 118.600 -0.001 0.000 2.676 286 c HA 0.096 nan 4.570 nan 0.000 0.416 286 c C -0.239 173.701 174.090 -0.250 0.000 1.299 286 c CA -0.355 55.885 56.329 -0.148 0.000 2.048 286 c CB 0.137 42.480 42.510 -0.277 0.000 2.713 286 c HN 0.486 8.823 8.230 0.178 0.000 0.624 287 T N 4.057 118.509 114.554 -0.170 0.000 2.856 287 T HA 0.505 nan 4.350 nan 0.000 0.283 287 T C -2.713 171.920 174.700 -0.113 0.000 1.008 287 T CA -2.681 59.326 62.100 -0.156 0.000 0.997 287 T CB 2.178 71.010 68.868 -0.060 0.000 0.992 287 T HN 0.370 8.566 8.240 -0.074 0.000 0.454 288 P HA -0.010 nan 4.420 nan 0.000 0.266 288 P C -1.814 175.559 177.300 0.122 0.000 1.195 288 P CA -0.142 63.033 63.100 0.124 0.000 0.768 288 P CB 0.489 32.247 31.700 0.097 0.000 0.838 289 N N 4.151 122.950 118.700 0.165 0.000 2.411 289 N HA 0.195 nan 4.740 nan 0.000 0.259 289 N C -0.012 175.539 175.510 0.068 0.000 1.103 289 N CA -2.859 50.251 53.050 0.101 0.000 0.954 289 N CB 0.291 38.836 38.487 0.097 0.000 1.085 289 N HN -0.035 8.485 8.380 0.233 0.000 0.485 290 P HA -0.235 nan 4.420 nan 0.000 0.218 290 P C 0.850 178.168 177.300 0.029 0.000 1.148 290 P CA 2.185 65.305 63.100 0.033 0.000 0.822 290 P CB 0.302 32.017 31.700 0.025 0.000 0.784 291 Q N -3.027 116.791 119.800 0.031 0.000 2.403 291 Q HA -0.073 nan 4.340 nan 0.000 0.203 291 Q C 1.230 177.243 176.000 0.022 0.000 0.932 291 Q CA 0.846 56.664 55.803 0.025 0.000 0.945 291 Q CB -0.060 28.692 28.738 0.024 0.000 1.045 291 Q HN -0.237 8.320 8.270 0.035 -0.266 0.511 292 R N -2.841 117.675 120.500 0.026 0.000 2.285 292 R HA -0.117 nan 4.340 nan 0.000 0.213 292 R C 0.086 176.385 176.300 -0.001 0.000 1.068 292 R CA -0.362 55.745 56.100 0.013 0.000 1.004 292 R CB -0.876 29.434 30.300 0.017 0.000 0.873 292 R HN -0.414 7.734 8.270 0.038 0.144 0.467 293 N N -1.064 117.639 118.700 0.005 0.000 4.151 293 N HA -0.333 nan 4.740 nan 0.000 0.324 293 N C 0.820 176.320 175.510 -0.016 0.000 2.004 293 N CA 0.953 54.001 53.050 -0.002 0.000 3.129 293 N CB 0.161 38.648 38.487 -0.000 0.000 0.268 293 N HN -0.735 7.621 8.380 0.014 0.033 0.884 294 D N 3.545 123.938 120.400 -0.012 0.000 2.312 294 D HA -0.067 nan 4.640 nan 0.000 0.211 294 D C 0.843 177.126 176.300 -0.029 0.000 0.964 294 D CA 2.055 56.043 54.000 -0.019 0.000 0.877 294 D CB 0.132 40.926 40.800 -0.010 0.000 0.924 294 D HN 0.430 8.797 8.370 -0.005 0.000 0.515 295 S N -3.283 112.404 115.700 -0.023 0.000 2.548 295 S HA 0.060 nan 4.470 nan 0.000 0.215 295 S C -0.477 174.096 174.600 -0.046 0.000 0.976 295 S CA 0.589 58.775 58.200 -0.022 0.000 0.908 295 S CB 1.277 64.478 63.200 0.002 0.000 0.781 295 S HN -0.406 8.190 8.310 -0.013 -0.294 0.519 296 V N 4.967 124.840 119.914 -0.069 0.000 2.350 296 V HA 0.321 nan 4.120 nan 0.000 0.276 296 V C -1.789 174.180 176.094 -0.209 0.000 1.028 296 V CA -3.321 58.905 62.300 -0.123 0.000 0.860 296 V CB -0.267 31.518 31.823 -0.064 0.000 0.990 296 V HN -0.508 7.480 8.190 -0.057 0.168 0.453 297 P HA 0.115 nan 4.420 nan 0.000 0.269 297 P C -1.291 175.843 177.300 -0.277 0.000 1.209 297 P CA -0.309 62.569 63.100 -0.369 0.000 0.776 297 P CB 0.440 31.785 31.700 -0.590 0.000 0.876 298 T N -2.718 111.724 114.554 -0.188 0.000 2.788 298 T HA 0.215 nan 4.350 nan 0.000 0.280 298 T C 0.884 175.496 174.700 -0.146 0.000 0.984 298 T CA -1.389 60.625 62.100 -0.144 0.000 0.972 298 T CB 1.809 70.614 68.868 -0.105 0.000 1.039 298 T HN 0.035 8.496 8.240 -0.167 -0.321 0.530 299 L N 1.359 122.509 121.223 -0.121 0.000 2.083 299 L HA -0.308 nan 4.340 nan 0.000 0.209 299 L C 0.907 177.713 176.870 -0.106 0.000 1.083 299 L CA 3.421 58.196 54.840 -0.108 0.000 0.752 299 L CB -0.535 41.462 42.059 -0.103 0.000 0.899 299 L HN 0.025 8.347 8.230 -0.115 -0.161 0.433 300 A N -2.797 119.961 122.820 -0.102 0.000 1.902 300 A HA -0.399 nan 4.320 nan 0.000 0.217 300 A C 2.322 179.850 177.584 -0.092 0.000 1.181 300 A CA 3.194 55.177 52.037 -0.091 0.000 0.623 300 A CB -0.979 17.974 19.000 -0.078 0.000 0.818 300 A HN 0.260 8.339 8.150 -0.104 0.008 0.443 301 Q N -1.298 118.440 119.800 -0.105 0.000 2.046 301 Q HA -0.388 nan 4.340 nan 0.000 0.200 301 Q C 2.621 178.550 176.000 -0.119 0.000 0.975 301 Q CA 3.135 58.871 55.803 -0.110 0.000 0.836 301 Q CB -0.017 28.643 28.738 -0.131 0.000 0.896 301 Q HN -0.480 7.641 8.270 -0.111 0.082 0.428 302 M N -0.810 118.709 119.600 -0.136 0.000 2.117 302 M HA -0.438 nan 4.480 nan 0.000 0.262 302 M C 2.336 178.579 176.300 -0.094 0.000 1.065 302 M CA 4.534 59.769 55.300 -0.108 0.000 1.114 302 M CB -0.082 32.464 32.600 -0.091 0.000 1.361 302 M HN 0.259 8.458 8.290 -0.151 0.000 0.408 303 T N 2.298 116.793 114.554 -0.099 0.000 2.720 303 T HA -0.386 nan 4.350 nan 0.000 0.268 303 T C 1.748 176.368 174.700 -0.133 0.000 1.037 303 T CA 5.343 67.378 62.100 -0.109 0.000 1.144 303 T CB -0.891 67.919 68.868 -0.096 0.000 0.864 303 T HN 0.236 8.417 8.240 -0.098 0.000 0.444 304 D N 1.327 121.658 120.400 -0.115 0.000 2.117 304 D HA -0.214 nan 4.640 nan 0.000 0.198 304 D C 1.906 178.124 176.300 -0.137 0.000 0.982 304 D CA 3.653 57.583 54.000 -0.118 0.000 0.828 304 D CB 0.271 41.021 40.800 -0.083 0.000 0.967 304 D HN -0.203 8.029 8.370 -0.102 0.077 0.464 305 K N -0.352 119.978 120.400 -0.117 0.000 2.057 305 K HA -0.262 nan 4.320 nan 0.000 0.207 305 K C 1.872 178.382 176.600 -0.150 0.000 1.049 305 K CA 2.512 58.734 56.287 -0.109 0.000 0.931 305 K CB -0.412 32.044 32.500 -0.074 0.000 0.714 305 K HN -0.106 8.081 8.250 -0.106 0.000 0.440 306 A N -0.610 122.112 122.820 -0.163 0.000 1.883 306 A HA -0.252 nan 4.320 nan 0.000 0.217 306 A C 2.279 179.637 177.584 -0.377 0.000 1.186 306 A CA 3.146 55.053 52.037 -0.217 0.000 0.624 306 A CB -0.877 18.014 19.000 -0.182 0.000 0.822 306 A HN -0.099 7.970 8.150 -0.135 0.000 0.444 307 I N -1.792 118.525 120.570 -0.421 0.000 2.226 307 I HA -0.609 nan 4.170 nan 0.000 0.245 307 I C 1.917 177.698 176.117 -0.559 0.000 1.100 307 I CA 4.177 65.079 61.300 -0.664 0.000 1.374 307 I CB -0.270 37.370 38.000 -0.598 0.000 1.057 307 I HN 0.183 8.205 8.210 -0.313 0.000 0.413 308 E N 0.799 120.803 120.200 -0.326 0.000 2.023 308 E HA -0.369 nan 4.350 nan 0.000 0.196 308 E C 2.539 179.019 176.600 -0.200 0.000 1.003 308 E CA 3.540 59.817 56.400 -0.205 0.000 0.809 308 E CB 0.015 29.638 29.700 -0.127 0.000 0.755 308 E HN -0.503 7.619 8.360 -0.275 0.073 0.449 309 L N -1.473 119.628 121.223 -0.203 0.000 2.017 309 L HA -0.318 nan 4.340 nan 0.000 0.208 309 L C 3.149 179.894 176.870 -0.208 0.000 1.073 309 L CA 2.798 57.539 54.840 -0.165 0.000 0.745 309 L CB -0.065 41.911 42.059 -0.138 0.000 0.894 309 L HN -0.089 8.016 8.230 -0.208 0.000 0.432 310 L N -1.713 119.292 121.223 -0.362 0.000 2.131 310 L HA -0.283 nan 4.340 nan 0.000 0.210 310 L C 2.410 179.058 176.870 -0.370 0.000 1.092 310 L CA 2.415 56.981 54.840 -0.456 0.000 0.759 310 L CB -1.250 40.277 42.059 -0.888 0.000 0.903 310 L HN 0.302 8.280 8.230 -0.421 0.000 0.435 311 S N -1.025 114.453 115.700 -0.371 0.000 2.515 311 S HA -0.270 nan 4.470 nan 0.000 0.231 311 S C 1.818 176.469 174.600 0.086 0.000 0.987 311 S CA 3.055 61.264 58.200 0.016 0.000 0.936 311 S CB -0.540 62.707 63.200 0.078 0.000 0.766 311 S HN 0.071 8.101 8.310 -0.467 0.000 0.528 312 K N -0.203 120.200 120.400 0.005 0.000 2.365 312 K HA -0.174 nan 4.320 nan 0.000 0.199 312 K C 0.225 176.853 176.600 0.047 0.000 1.045 312 K CA 1.153 57.456 56.287 0.026 0.000 0.962 312 K CB -0.174 32.322 32.500 -0.007 0.000 0.759 312 K HN -0.797 7.371 8.250 -0.064 0.043 0.469 313 N N 0.931 119.669 118.700 0.063 0.000 2.402 313 N HA -0.022 nan 4.740 nan 0.000 0.252 313 N C 0.748 176.324 175.510 0.111 0.000 1.118 313 N CA -0.986 52.111 53.050 0.080 0.000 0.945 313 N CB 0.058 38.600 38.487 0.092 0.000 1.147 313 N HN -0.610 7.758 8.380 0.058 0.047 0.495 314 E N 6.067 126.315 120.200 0.080 0.000 2.273 314 E HA -0.279 nan 4.350 nan 0.000 0.198 314 E C 0.909 177.554 176.600 0.075 0.000 1.002 314 E CA 2.296 58.741 56.400 0.076 0.000 0.828 314 E CB -0.414 29.317 29.700 0.052 0.000 0.747 314 E HN 0.164 8.561 8.360 0.062 0.000 0.491 315 K N -2.016 118.429 120.400 0.074 0.000 2.217 315 K HA -0.115 nan 4.320 nan 0.000 0.202 315 K C 0.364 177.008 176.600 0.073 0.000 1.051 315 K CA 0.566 56.891 56.287 0.063 0.000 0.952 315 K CB 0.787 33.320 32.500 0.056 0.000 0.736 315 K HN -0.151 8.474 8.250 0.075 -0.330 0.453 316 G N -2.692 106.182 108.800 0.124 0.000 2.408 316 G HA2 -0.196 nan 3.960 nan 0.000 0.682 316 G HA3 -0.196 nan 3.960 nan 0.000 0.682 316 G C -2.686 172.346 174.900 0.220 0.000 1.303 316 G CA -0.495 44.678 45.100 0.121 0.000 0.966 316 G HN -0.466 7.892 8.290 0.153 0.024 0.560 317 F N -4.479 115.520 119.950 0.083 0.000 2.662 317 F HA 1.102 nan 4.527 nan 0.000 0.312 317 F C -2.845 173.034 175.800 0.132 0.000 1.113 317 F CA -2.814 55.238 58.000 0.086 0.000 0.951 317 F CB 3.295 42.314 39.000 0.031 0.000 1.344 317 F HN -0.175 8.154 8.300 -0.278 -0.196 0.462 318 F N 0.594 120.689 119.950 0.242 0.000 2.507 318 F HA 0.836 nan 4.527 nan 0.000 0.325 318 F C -2.903 173.052 175.800 0.258 0.000 1.116 318 F CA -1.920 56.168 58.000 0.147 0.000 0.930 318 F CB 3.819 42.866 39.000 0.078 0.000 1.146 318 F HN 0.387 8.979 8.300 0.488 0.000 0.447 319 L N 7.151 128.046 121.223 -0.545 0.000 2.410 319 L HA 0.675 nan 4.340 nan 0.000 0.270 319 L C -3.109 173.375 176.870 -0.643 0.000 0.983 319 L CA -1.008 53.615 54.840 -0.362 0.000 0.822 319 L CB 4.410 46.441 42.059 -0.046 0.000 1.285 319 L HN 0.662 8.457 8.230 -0.724 0.000 0.409 320 Q N 6.062 125.630 119.800 -0.386 0.000 2.316 320 Q HA 0.775 nan 4.340 nan 0.000 0.264 320 Q C -2.191 173.759 176.000 -0.083 0.000 0.987 320 Q CA -1.555 54.128 55.803 -0.200 0.000 0.852 320 Q CB 3.963 32.739 28.738 0.063 0.000 1.287 320 Q HN 0.413 8.559 8.270 -0.206 0.000 0.448 321 V N 6.309 126.174 119.914 -0.082 0.000 2.588 321 V HA 0.582 nan 4.120 nan 0.000 0.304 321 V C -2.347 173.717 176.094 -0.049 0.000 1.042 321 V CA -1.191 61.072 62.300 -0.062 0.000 0.877 321 V CB 2.572 34.344 31.823 -0.085 0.000 0.996 321 V HN 0.870 8.998 8.190 -0.103 0.000 0.425 322 E N 6.828 127.014 120.200 -0.024 0.000 2.191 322 E HA 0.584 nan 4.350 nan 0.000 0.263 322 E C -0.948 175.633 176.600 -0.032 0.000 0.881 322 E CA -2.115 54.274 56.400 -0.018 0.000 0.757 322 E CB 4.097 33.816 29.700 0.031 0.000 1.147 322 E HN 0.547 8.797 8.360 -0.013 0.102 0.414 323 G N 4.212 112.978 108.800 -0.056 0.000 2.639 323 G HA2 0.259 nan 3.960 nan 0.000 0.312 323 G HA3 0.259 nan 3.960 nan 0.000 0.312 323 G C -1.186 173.693 174.900 -0.035 0.000 0.911 323 G CA -0.651 44.410 45.100 -0.066 0.000 1.410 323 G HN 0.686 8.935 8.290 -0.069 0.000 0.469 324 A N 6.616 129.430 122.820 -0.009 0.000 1.903 324 A HA 0.066 nan 4.320 nan 0.000 0.213 324 A C 1.839 179.447 177.584 0.040 0.000 1.185 324 A CA 2.139 54.192 52.037 0.027 0.000 0.628 324 A CB 0.427 19.452 19.000 0.042 0.000 0.830 324 A HN 0.598 8.739 8.150 -0.015 0.000 0.446 325 S N -0.654 115.055 115.700 0.015 0.000 2.660 325 S HA -0.161 nan 4.470 nan 0.000 0.223 325 S C 1.330 175.933 174.600 0.004 0.000 0.963 325 S CA 1.586 59.800 58.200 0.023 0.000 0.932 325 S CB -0.531 62.671 63.200 0.004 0.000 0.775 325 S HN -0.191 8.116 8.310 -0.006 0.000 0.531 326 I N 2.975 123.539 120.570 -0.010 0.000 2.113 326 I HA -0.531 nan 4.170 nan 0.000 0.238 326 I C 1.214 177.323 176.117 -0.012 0.000 1.070 326 I CA 4.209 65.493 61.300 -0.027 0.000 1.332 326 I CB -0.354 37.629 38.000 -0.029 0.000 1.044 326 I HN -0.597 7.530 8.210 -0.011 0.077 0.402 327 D N -0.546 119.899 120.400 0.074 0.000 2.104 327 D HA -0.359 nan 4.640 nan 0.000 0.194 327 D C 2.295 178.697 176.300 0.171 0.000 0.994 327 D CA 3.784 57.896 54.000 0.187 0.000 0.830 327 D CB -0.051 40.954 40.800 0.342 0.000 0.959 327 D HN -0.300 8.122 8.370 0.086 0.000 0.452 328 K N -1.686 118.838 120.400 0.207 0.000 2.032 328 K HA -0.318 nan 4.320 nan 0.000 0.209 328 K C 2.820 179.495 176.600 0.125 0.000 1.048 328 K CA 2.807 59.236 56.287 0.235 0.000 0.927 328 K CB -0.516 32.071 32.500 0.145 0.000 0.712 328 K HN -0.784 7.563 8.250 0.162 0.000 0.441 329 Q N -1.885 117.932 119.800 0.029 0.000 2.230 329 Q HA -0.194 nan 4.340 nan 0.000 0.202 329 Q C 2.449 178.392 176.000 -0.095 0.000 0.963 329 Q CA 2.459 58.247 55.803 -0.025 0.000 0.866 329 Q CB -0.617 28.104 28.738 -0.028 0.000 0.931 329 Q HN -0.230 8.055 8.270 0.025 0.000 0.452 330 D N 0.385 120.683 120.400 -0.170 0.000 2.117 330 D HA -0.229 nan 4.640 nan 0.000 0.198 330 D C 2.977 179.113 176.300 -0.274 0.000 0.982 330 D CA 3.237 57.055 54.000 -0.303 0.000 0.828 330 D CB 0.146 40.464 40.800 -0.803 0.000 0.967 330 D HN -0.010 8.174 8.370 -0.155 0.093 0.464 331 H N -0.207 118.811 119.070 -0.087 0.000 2.353 331 H HA -0.186 nan 4.556 nan 0.000 0.300 331 H C 2.016 177.313 175.328 -0.051 0.000 1.090 331 H CA 3.042 59.127 56.048 0.062 0.000 1.327 331 H CB 0.118 29.961 29.762 0.134 0.000 1.383 331 H HN -0.079 8.048 8.280 -0.119 0.081 0.508 332 A N -3.409 119.432 122.820 0.034 0.000 2.252 332 A HA -0.051 nan 4.320 nan 0.000 0.207 332 A C -0.948 176.512 177.584 -0.207 0.000 1.194 332 A CA -0.376 51.628 52.037 -0.054 0.000 0.809 332 A CB -0.868 18.115 19.000 -0.028 0.000 0.814 332 A HN -0.269 7.846 8.150 0.062 0.072 0.482 333 A N -2.771 119.789 122.820 -0.435 0.000 2.704 333 A HA -0.369 nan 4.320 nan 0.000 0.299 333 A C -1.400 175.778 177.584 -0.676 0.000 1.507 333 A CA 0.760 52.184 52.037 -1.022 0.000 0.776 333 A CB -1.915 16.671 19.000 -0.691 0.000 1.027 333 A HN -0.586 7.146 8.150 -0.351 0.208 0.475 334 N N -1.663 116.813 118.700 -0.372 0.000 2.706 334 N HA 0.463 nan 4.740 nan 0.000 0.240 334 N C -1.872 173.616 175.510 -0.036 0.000 1.039 334 N CA -3.260 49.702 53.050 -0.146 0.000 0.888 334 N CB 1.120 39.558 38.487 -0.082 0.000 1.128 334 N HN -0.103 8.066 8.380 -0.337 0.009 0.512 335 P HA -0.240 nan 4.420 nan 0.000 0.215 335 P C 0.996 178.312 177.300 0.026 0.000 1.157 335 P CA 2.395 65.560 63.100 0.108 0.000 0.874 335 P CB 0.258 32.031 31.700 0.121 0.000 0.790 336 c N -4.166 114.442 118.600 0.013 0.000 2.429 336 c HA -0.215 nan 4.570 nan 0.000 0.277 336 c C 2.868 177.027 174.090 0.115 0.000 1.262 336 c CA 4.419 60.789 56.329 0.068 0.000 1.733 336 c CB -1.955 40.600 42.510 0.075 0.000 2.010 336 c HN 0.288 8.525 8.230 0.012 0.000 0.483 337 G N -0.410 108.421 108.800 0.052 0.000 2.421 337 G HA2 -0.392 nan 3.960 nan 0.000 0.216 337 G HA3 -0.392 nan 3.960 nan 0.000 0.216 337 G C 0.665 175.540 174.900 -0.042 0.000 1.171 337 G CA 1.903 47.011 45.100 0.012 0.000 0.775 337 G HN 0.242 8.869 8.290 0.035 -0.316 0.543 338 Q N 2.204 121.987 119.800 -0.028 0.000 2.002 338 Q HA -0.362 nan 4.340 nan 0.000 0.204 338 Q C 2.450 178.407 176.000 -0.072 0.000 0.988 338 Q CA 3.157 58.937 55.803 -0.039 0.000 0.843 338 Q CB -0.056 28.686 28.738 0.007 0.000 0.908 338 Q HN -0.518 7.747 8.270 -0.007 0.000 0.420 339 I N -1.281 119.258 120.570 -0.051 0.000 2.226 339 I HA -0.496 nan 4.170 nan 0.000 0.245 339 I C 1.945 177.883 176.117 -0.297 0.000 1.100 339 I CA 3.458 64.719 61.300 -0.065 0.000 1.374 339 I CB -0.256 37.754 38.000 0.018 0.000 1.057 339 I HN 0.319 8.520 8.210 -0.015 0.000 0.413 340 G N -0.937 107.576 108.800 -0.478 0.000 2.440 340 G HA2 -0.378 nan 3.960 nan 0.000 0.218 340 G HA3 -0.378 nan 3.960 nan 0.000 0.218 340 G C 1.221 175.745 174.900 -0.626 0.000 1.154 340 G CA 2.404 46.863 45.100 -1.067 0.000 0.767 340 G HN 0.266 8.431 8.290 -0.208 0.000 0.552 341 E N 0.688 120.681 120.200 -0.345 0.000 2.216 341 E HA -0.094 nan 4.350 nan 0.000 0.192 341 E C 2.670 179.125 176.600 -0.241 0.000 0.988 341 E CA 2.355 58.607 56.400 -0.248 0.000 0.834 341 E CB -0.574 29.037 29.700 -0.149 0.000 0.772 341 E HN -0.265 7.832 8.360 -0.267 0.103 0.479 342 T N 3.595 118.006 114.554 -0.237 0.000 2.821 342 T HA -0.156 nan 4.350 nan 0.000 0.267 342 T C 2.187 176.665 174.700 -0.370 0.000 1.046 342 T CA 4.748 66.691 62.100 -0.262 0.000 1.139 342 T CB -0.371 68.390 68.868 -0.178 0.000 0.871 342 T HN -0.299 7.732 8.240 -0.212 0.081 0.454 343 V N 2.518 122.234 119.914 -0.331 0.000 2.295 343 V HA -0.494 nan 4.120 nan 0.000 0.246 343 V C 1.374 177.307 176.094 -0.268 0.000 1.049 343 V CA 4.765 66.902 62.300 -0.272 0.000 1.024 343 V CB -0.983 30.664 31.823 -0.293 0.000 0.648 343 V HN 0.116 8.101 8.190 -0.341 0.000 0.447 344 D N -0.192 120.034 120.400 -0.289 0.000 2.106 344 D HA -0.338 nan 4.640 nan 0.000 0.191 344 D C 2.339 178.520 176.300 -0.197 0.000 0.997 344 D CA 4.015 57.882 54.000 -0.221 0.000 0.834 344 D CB 0.176 40.847 40.800 -0.216 0.000 0.956 344 D HN -0.294 7.861 8.370 -0.358 0.000 0.448 345 L N -1.032 120.059 121.223 -0.221 0.000 2.046 345 L HA -0.319 nan 4.340 nan 0.000 0.208 345 L C 1.202 177.932 176.870 -0.234 0.000 1.077 345 L CA 2.885 57.600 54.840 -0.208 0.000 0.747 345 L CB -0.035 41.896 42.059 -0.213 0.000 0.896 345 L HN -0.295 7.791 8.230 -0.240 0.000 0.432 346 D N -1.087 119.121 120.400 -0.321 0.000 2.149 346 D HA -0.419 nan 4.640 nan 0.000 0.198 346 D C 2.115 178.302 176.300 -0.188 0.000 0.990 346 D CA 3.818 57.619 54.000 -0.331 0.000 0.839 346 D CB -0.050 40.449 40.800 -0.501 0.000 0.948 346 D HN -0.140 7.931 8.370 -0.376 0.074 0.460 347 E N -0.741 119.370 120.200 -0.148 0.000 2.077 347 E HA -0.366 nan 4.350 nan 0.000 0.193 347 E C 2.223 178.767 176.600 -0.093 0.000 0.989 347 E CA 2.777 59.120 56.400 -0.095 0.000 0.800 347 E CB -0.143 29.509 29.700 -0.080 0.000 0.746 347 E HN -0.505 7.746 8.360 -0.169 0.007 0.452 348 A N -0.266 122.488 122.820 -0.110 0.000 1.902 348 A HA -0.201 nan 4.320 nan 0.000 0.217 348 A C 2.236 179.767 177.584 -0.089 0.000 1.181 348 A CA 3.231 55.210 52.037 -0.097 0.000 0.623 348 A CB -0.628 18.308 19.000 -0.106 0.000 0.818 348 A HN -0.570 7.423 8.150 -0.129 0.080 0.443 349 V N -0.711 119.137 119.914 -0.111 0.000 2.407 349 V HA -0.553 nan 4.120 nan 0.000 0.248 349 V C 2.376 178.423 176.094 -0.078 0.000 1.055 349 V CA 4.356 66.596 62.300 -0.101 0.000 1.049 349 V CB -1.315 30.425 31.823 -0.137 0.000 0.662 349 V HN 0.344 8.452 8.190 -0.136 0.000 0.455 350 Q N -1.067 118.686 119.800 -0.079 0.000 2.050 350 Q HA -0.381 nan 4.340 nan 0.000 0.202 350 Q C 2.448 178.430 176.000 -0.029 0.000 0.980 350 Q CA 3.614 59.383 55.803 -0.056 0.000 0.840 350 Q CB -0.344 28.366 28.738 -0.047 0.000 0.898 350 Q HN -0.041 8.078 8.270 -0.095 0.095 0.424 351 R N -1.396 119.088 120.500 -0.027 0.000 2.083 351 R HA -0.330 nan 4.340 nan 0.000 0.237 351 R C 2.232 178.554 176.300 0.037 0.000 1.137 351 R CA 2.430 58.528 56.100 -0.004 0.000 0.951 351 R CB -0.822 29.460 30.300 -0.030 0.000 0.851 351 R HN -0.287 7.956 8.270 -0.044 0.000 0.434 352 A N -0.215 122.618 122.820 0.022 0.000 1.908 352 A HA -0.201 nan 4.320 nan 0.000 0.218 352 A C 2.468 180.125 177.584 0.122 0.000 1.181 352 A CA 3.000 55.085 52.037 0.080 0.000 0.627 352 A CB -0.778 18.242 19.000 0.033 0.000 0.818 352 A HN 0.042 8.183 8.150 -0.015 0.000 0.445 353 L N -1.906 119.334 121.223 0.028 0.000 2.093 353 L HA -0.356 nan 4.340 nan 0.000 0.208 353 L C 2.292 179.144 176.870 -0.030 0.000 1.085 353 L CA 2.590 57.403 54.840 -0.046 0.000 0.755 353 L CB -0.717 41.269 42.059 -0.121 0.000 0.904 353 L HN 0.128 8.355 8.230 -0.004 0.000 0.435 354 E N -0.325 119.886 120.200 0.019 0.000 2.058 354 E HA -0.455 nan 4.350 nan 0.000 0.194 354 E C 2.594 179.247 176.600 0.089 0.000 0.997 354 E CA 3.306 59.727 56.400 0.036 0.000 0.801 354 E CB -0.210 29.520 29.700 0.049 0.000 0.746 354 E HN -0.169 8.204 8.360 0.022 0.000 0.450 355 F N 0.121 120.080 119.950 0.015 0.000 2.069 355 F HA -0.437 nan 4.527 nan 0.000 0.298 355 F C 1.023 176.864 175.800 0.068 0.000 1.113 355 F CA 3.198 61.227 58.000 0.049 0.000 1.214 355 F CB 0.033 39.078 39.000 0.076 0.000 0.978 355 F HN -0.429 8.035 8.300 0.273 0.000 0.474 356 A N -1.442 121.419 122.820 0.068 0.000 1.940 356 A HA -0.437 nan 4.320 nan 0.000 0.219 356 A C 2.108 179.720 177.584 0.046 0.000 1.176 356 A CA 3.293 55.344 52.037 0.023 0.000 0.631 356 A CB -1.015 18.133 19.000 0.247 0.000 0.814 356 A HN 0.247 8.558 8.150 0.268 0.000 0.446 357 K N -1.085 119.323 120.400 0.013 0.000 2.002 357 K HA -0.317 nan 4.320 nan 0.000 0.209 357 K C 2.460 179.052 176.600 -0.014 0.000 1.048 357 K CA 2.898 59.198 56.287 0.022 0.000 0.930 357 K CB 0.021 32.490 32.500 -0.052 0.000 0.714 357 K HN -0.061 8.162 8.250 -0.020 0.015 0.438 358 K N -2.907 117.445 120.400 -0.079 0.000 2.167 358 K HA -0.105 nan 4.320 nan 0.000 0.203 358 K C 1.813 178.319 176.600 -0.155 0.000 1.052 358 K CA 1.838 58.071 56.287 -0.090 0.000 0.956 358 K CB 0.294 32.754 32.500 -0.067 0.000 0.735 358 K HN -0.624 7.574 8.250 -0.087 0.000 0.451 359 E N -0.571 119.438 120.200 -0.319 0.000 2.152 359 E HA -0.159 nan 4.350 nan 0.000 0.192 359 E C 1.383 177.866 176.600 -0.194 0.000 0.983 359 E CA 0.670 56.852 56.400 -0.364 0.000 0.818 359 E CB 0.582 29.788 29.700 -0.824 0.000 0.758 359 E HN -0.126 7.988 8.360 -0.409 0.000 0.467 360 G N -1.269 107.451 108.800 -0.133 0.000 2.220 360 G HA2 -0.382 nan 3.960 nan 0.000 0.269 360 G HA3 -0.382 nan 3.960 nan 0.000 0.269 360 G C -0.491 174.359 174.900 -0.084 0.000 0.977 360 G CA 0.803 45.860 45.100 -0.072 0.000 0.634 360 G HN 0.048 8.261 8.290 -0.128 0.000 0.539 361 N N -1.411 117.229 118.700 -0.099 0.000 2.451 361 N HA 0.178 nan 4.740 nan 0.000 0.271 361 N C -1.676 173.785 175.510 -0.081 0.000 1.410 361 N CA -0.269 52.734 53.050 -0.079 0.000 0.884 361 N CB 2.202 40.653 38.487 -0.060 0.000 1.332 361 N HN -0.184 8.258 8.380 -0.134 -0.143 0.498 362 T N 1.583 116.092 114.554 -0.076 0.000 2.807 362 T HA 0.414 nan 4.350 nan 0.000 0.279 362 T C -1.383 173.304 174.700 -0.022 0.000 0.993 362 T CA -0.192 61.881 62.100 -0.045 0.000 0.970 362 T CB 1.655 70.540 68.868 0.028 0.000 0.950 362 T HN -0.377 7.817 8.240 -0.076 0.000 0.441 363 L N 7.709 128.916 121.223 -0.027 0.000 2.264 363 L HA 0.458 nan 4.340 nan 0.000 0.289 363 L C -2.043 174.843 176.870 0.027 0.000 1.044 363 L CA -0.861 53.973 54.840 -0.010 0.000 0.807 363 L CB 1.847 43.902 42.059 -0.008 0.000 1.192 363 L HN 0.359 8.559 8.230 -0.050 0.000 0.425 364 V N 8.425 128.387 119.914 0.079 0.000 2.459 364 V HA 0.663 nan 4.120 nan 0.000 0.295 364 V C -1.404 174.711 176.094 0.035 0.000 1.029 364 V CA -1.208 61.135 62.300 0.072 0.000 0.874 364 V CB 1.617 33.520 31.823 0.135 0.000 0.985 364 V HN 0.920 9.171 8.190 0.102 0.000 0.438 365 I N 6.433 126.991 120.570 -0.020 0.000 2.498 365 I HA 0.663 nan 4.170 nan 0.000 0.290 365 I C -1.895 174.159 176.117 -0.105 0.000 1.032 365 I CA -0.938 60.328 61.300 -0.056 0.000 1.073 365 I CB 3.669 41.631 38.000 -0.064 0.000 1.251 365 I HN 0.361 8.548 8.210 -0.038 0.000 0.426 366 V N 6.689 126.530 119.914 -0.123 0.000 2.531 366 V HA 0.775 nan 4.120 nan 0.000 0.301 366 V C -1.905 174.070 176.094 -0.197 0.000 1.034 366 V CA -1.270 60.938 62.300 -0.154 0.000 0.865 366 V CB 2.346 34.093 31.823 -0.127 0.000 0.995 366 V HN 0.758 8.882 8.190 -0.110 0.000 0.424 367 T N 7.271 121.681 114.554 -0.239 0.000 2.653 367 T HA 0.777 nan 4.350 nan 0.000 0.306 367 T C -2.702 171.861 174.700 -0.227 0.000 1.426 367 T CA -0.893 61.042 62.100 -0.275 0.000 1.008 367 T CB 3.204 71.808 68.868 -0.440 0.000 1.692 367 T HN 0.448 8.544 8.240 -0.239 0.000 0.483 368 A N -0.472 122.252 122.820 -0.159 0.000 2.430 368 A HA 0.704 nan 4.320 nan 0.000 0.300 368 A C -0.965 176.589 177.584 -0.051 0.000 1.124 368 A CA -2.269 49.703 52.037 -0.108 0.000 0.766 368 A CB 2.654 21.630 19.000 -0.040 0.000 1.328 368 A HN 0.272 8.331 8.150 -0.152 0.000 0.424 369 N N -0.690 117.935 118.700 -0.125 0.000 2.251 369 N HA -0.166 nan 4.740 nan 0.000 0.181 369 N C -0.576 174.733 175.510 -0.335 0.000 1.019 369 N CA 1.308 54.322 53.050 -0.060 0.000 0.862 369 N CB 1.237 39.672 38.487 -0.086 0.000 0.992 369 N HN 0.545 8.816 8.380 -0.180 0.000 0.429 370 H N -5.996 112.900 119.070 -0.290 0.000 2.948 370 H HA 0.286 nan 4.556 nan 0.000 0.315 370 H C -2.063 173.137 175.328 -0.213 0.000 1.360 370 H CA -2.171 53.502 56.048 -0.624 0.000 1.125 370 H CB 1.800 31.267 29.762 -0.492 0.000 1.844 370 H HN -0.868 7.133 8.280 -0.464 0.000 0.529 371 A N -2.326 120.592 122.820 0.162 0.000 2.271 371 A HA 0.212 nan 4.320 nan 0.000 0.288 371 A C -1.446 176.258 177.584 0.200 0.000 1.094 371 A CA -1.014 51.154 52.037 0.220 0.000 0.828 371 A CB 1.883 21.029 19.000 0.244 0.000 1.091 371 A HN 0.032 8.287 8.150 0.174 0.000 0.493 372 H N -0.465 118.677 119.070 0.121 0.000 3.196 372 H HA 0.334 nan 4.556 nan 0.000 0.303 372 H C -0.534 174.830 175.328 0.061 0.000 1.605 372 H CA -0.726 55.371 56.048 0.080 0.000 1.351 372 H CB 3.271 33.073 29.762 0.067 0.000 1.860 372 H HN 0.018 8.454 8.280 0.260 0.000 0.697 373 A N -1.166 121.875 122.820 0.368 0.000 1.975 373 A HA 0.087 nan 4.320 nan 0.000 0.215 373 A C 0.284 177.883 177.584 0.025 0.000 1.170 373 A CA 1.088 53.242 52.037 0.195 0.000 0.656 373 A CB 1.060 20.220 19.000 0.267 0.000 0.821 373 A HN -0.024 8.583 8.150 0.556 -0.123 0.449 374 S N -1.060 114.582 115.700 -0.096 0.000 2.552 374 S HA -0.208 nan 4.470 nan 0.000 0.289 374 S C -0.432 174.041 174.600 -0.212 0.000 1.304 374 S CA 0.557 58.514 58.200 -0.406 0.000 1.063 374 S CB 0.077 63.041 63.200 -0.393 0.000 0.848 374 S HN -0.766 7.715 8.310 -0.010 -0.177 0.499 375 Q N 3.073 122.726 119.800 -0.246 0.000 2.394 375 Q HA 0.588 nan 4.340 nan 0.000 0.273 375 Q C -1.348 174.583 176.000 -0.115 0.000 1.089 375 Q CA -1.297 54.436 55.803 -0.117 0.000 0.812 375 Q CB 4.761 33.457 28.738 -0.069 0.000 1.353 375 Q HN 0.490 8.533 8.270 -0.377 0.000 0.438 376 I N 2.908 123.446 120.570 -0.055 0.000 2.312 376 I HA 0.352 nan 4.170 nan 0.000 0.291 376 I C -0.609 175.498 176.117 -0.018 0.000 1.031 376 I CA 0.507 61.789 61.300 -0.029 0.000 1.293 376 I CB -0.394 37.605 38.000 -0.002 0.000 1.403 376 I HN 0.256 8.446 8.210 -0.034 0.000 0.484 377 V N 2.911 122.816 119.914 -0.015 0.000 3.113 377 V HA 0.765 nan 4.120 nan 0.000 0.316 377 V C -1.596 174.498 176.094 -0.000 0.000 1.125 377 V CA -3.429 58.868 62.300 -0.006 0.000 1.026 377 V CB 3.122 34.942 31.823 -0.006 0.000 1.080 377 V HN 0.460 8.640 8.190 -0.016 0.000 0.444 378 A N -0.964 121.856 122.820 0.000 0.000 2.483 378 A HA 0.347 nan 4.320 nan 0.000 0.238 378 A C -0.978 176.604 177.584 -0.004 0.000 1.070 378 A CA -0.997 51.039 52.037 -0.001 0.000 0.770 378 A CB -1.104 17.895 19.000 -0.003 0.000 1.008 378 A HN 0.278 8.429 8.150 0.000 0.000 0.497 379 P HA -0.204 nan 4.420 nan 0.000 0.218 379 P C -0.609 176.680 177.300 -0.017 0.000 1.148 379 P CA 2.080 65.176 63.100 -0.005 0.000 0.822 379 P CB 0.104 31.801 31.700 -0.004 0.000 0.784 380 D N -7.550 112.836 120.400 -0.023 0.000 2.328 380 D HA -0.052 nan 4.640 nan 0.000 0.221 380 D C 0.112 176.383 176.300 -0.048 0.000 1.072 380 D CA -0.335 53.642 54.000 -0.038 0.000 0.850 380 D CB -0.281 40.500 40.800 -0.032 0.000 0.922 380 D HN -0.190 8.120 8.370 -0.017 0.050 0.516 381 T N 2.996 117.530 114.554 -0.033 0.000 2.908 381 T HA -0.152 nan 4.350 nan 0.000 0.301 381 T C -0.845 173.823 174.700 -0.054 0.000 1.019 381 T CA 2.217 64.301 62.100 -0.026 0.000 1.152 381 T CB 0.321 69.186 68.868 -0.004 0.000 0.966 381 T HN -0.542 7.616 8.240 -0.022 0.068 0.540 382 K N 6.768 127.140 120.400 -0.046 0.000 2.356 382 K HA 0.114 nan 4.320 nan 0.000 0.243 382 K C -1.283 175.372 176.600 0.092 0.000 1.072 382 K CA -1.361 54.883 56.287 -0.072 0.000 1.014 382 K CB 0.051 32.502 32.500 -0.081 0.000 1.523 382 K HN 0.266 8.503 8.250 -0.021 0.000 0.455 383 A N 5.464 128.370 122.820 0.142 0.000 2.306 383 A HA 0.522 nan 4.320 nan 0.000 0.330 383 A C -1.748 175.958 177.584 0.205 0.000 1.146 383 A CA -2.961 49.163 52.037 0.144 0.000 0.827 383 A CB 0.227 19.288 19.000 0.102 0.000 1.178 383 A HN -0.079 8.158 8.150 0.145 0.000 0.490 384 P HA -0.047 nan 4.420 nan 0.000 0.227 384 P C -0.631 176.817 177.300 0.246 0.000 1.161 384 P CA 0.363 63.610 63.100 0.245 0.000 0.788 384 P CB 0.695 32.481 31.700 0.144 0.000 0.822 385 G N -0.454 108.460 108.800 0.191 0.000 2.829 385 G HA2 0.247 nan 3.960 nan 0.000 0.173 385 G HA3 0.247 nan 3.960 nan 0.000 0.173 385 G C -2.045 172.983 174.900 0.213 0.000 1.476 385 G CA -1.024 44.185 45.100 0.182 0.000 1.072 385 G HN -0.360 8.026 8.290 0.160 0.000 0.577 386 L N -1.277 120.064 121.223 0.198 0.000 2.309 386 L HA 0.494 nan 4.340 nan 0.000 0.282 386 L C -0.921 176.084 176.870 0.224 0.000 1.036 386 L CA -0.802 54.153 54.840 0.190 0.000 0.806 386 L CB 1.107 43.258 42.059 0.154 0.000 1.220 386 L HN 0.124 8.480 8.230 0.210 0.000 0.429 387 T N -1.120 113.532 114.554 0.162 0.000 2.896 387 T HA 0.749 nan 4.350 nan 0.000 0.297 387 T C -2.359 172.415 174.700 0.124 0.000 1.108 387 T CA -1.947 60.239 62.100 0.143 0.000 1.004 387 T CB 3.131 72.049 68.868 0.084 0.000 1.159 387 T HN 0.772 9.048 8.240 0.128 0.040 0.499 388 Q N 0.387 120.256 119.800 0.115 0.000 2.386 388 Q HA 0.375 nan 4.340 nan 0.000 0.274 388 Q C -2.768 173.278 176.000 0.077 0.000 1.011 388 Q CA -0.506 55.353 55.803 0.093 0.000 0.867 388 Q CB 4.147 32.953 28.738 0.112 0.000 1.409 388 Q HN 0.109 8.446 8.270 0.112 0.000 0.395 389 A N 4.639 127.496 122.820 0.061 0.000 2.305 389 A HA 0.892 nan 4.320 nan 0.000 0.322 389 A C -2.168 175.464 177.584 0.079 0.000 1.187 389 A CA -1.558 50.514 52.037 0.059 0.000 0.825 389 A CB 1.460 20.484 19.000 0.039 0.000 1.164 389 A HN 0.685 8.868 8.150 0.056 0.000 0.498 390 L N 1.049 122.337 121.223 0.109 0.000 2.354 390 L HA 0.550 nan 4.340 nan 0.000 0.269 390 L C -1.072 175.899 176.870 0.169 0.000 1.005 390 L CA -1.881 53.066 54.840 0.179 0.000 0.819 390 L CB 2.809 45.028 42.059 0.267 0.000 1.311 390 L HN 0.745 8.930 8.230 0.101 0.105 0.423 391 N N 3.904 122.705 118.700 0.168 0.000 2.420 391 N HA 0.298 nan 4.740 nan 0.000 0.249 391 N C -0.528 174.917 175.510 -0.108 0.000 1.033 391 N CA 0.717 53.789 53.050 0.036 0.000 0.944 391 N CB 1.044 39.533 38.487 0.003 0.000 1.113 391 N HN 0.351 8.873 8.380 0.238 0.000 0.502 392 T N 1.566 116.032 114.554 -0.147 0.000 2.824 392 T HA 0.341 nan 4.350 nan 0.000 0.277 392 T C 1.206 175.702 174.700 -0.339 0.000 0.975 392 T CA -1.524 60.376 62.100 -0.333 0.000 0.966 392 T CB 2.035 70.830 68.868 -0.122 0.000 1.054 392 T HN 0.439 8.640 8.240 -0.066 0.000 0.533 393 K N 0.851 121.040 120.400 -0.353 0.000 2.218 393 K HA -0.296 nan 4.320 nan 0.000 0.205 393 K C 0.800 177.316 176.600 -0.140 0.000 1.046 393 K CA 2.691 58.843 56.287 -0.224 0.000 0.933 393 K CB -0.195 32.202 32.500 -0.171 0.000 0.728 393 K HN 0.280 8.168 8.250 -0.426 0.106 0.454 394 D N -2.710 117.620 120.400 -0.115 0.000 2.363 394 D HA -0.063 nan 4.640 nan 0.000 0.220 394 D C 0.820 177.080 176.300 -0.067 0.000 0.994 394 D CA 0.246 54.201 54.000 -0.075 0.000 0.890 394 D CB 0.108 40.875 40.800 -0.055 0.000 0.906 394 D HN -0.645 7.608 8.370 -0.127 0.041 0.530 395 G N -1.074 107.677 108.800 -0.082 0.000 2.176 395 G HA2 -0.404 nan 3.960 nan 0.000 0.252 395 G HA3 -0.404 nan 3.960 nan 0.000 0.252 395 G C -1.181 173.692 174.900 -0.044 0.000 1.024 395 G CA 0.119 45.182 45.100 -0.063 0.000 0.755 395 G HN -0.143 7.898 8.290 -0.112 0.182 0.507 396 A N -1.799 120.996 122.820 -0.042 0.000 2.435 396 A HA 0.320 nan 4.320 nan 0.000 0.296 396 A C -2.100 175.478 177.584 -0.010 0.000 1.147 396 A CA -1.180 50.843 52.037 -0.022 0.000 0.775 396 A CB 2.476 21.465 19.000 -0.018 0.000 1.340 396 A HN -0.548 7.568 8.150 -0.056 0.000 0.427 397 V N 0.050 119.966 119.914 0.003 0.000 2.509 397 V HA 0.429 nan 4.120 nan 0.000 0.284 397 V C -0.991 175.121 176.094 0.031 0.000 1.047 397 V CA -0.204 62.108 62.300 0.021 0.000 0.952 397 V CB 0.763 32.596 31.823 0.016 0.000 0.988 397 V HN 0.090 8.280 8.190 -0.000 0.000 0.469 398 M N 8.061 127.695 119.600 0.057 0.000 2.321 398 M HA 0.472 nan 4.480 nan 0.000 0.315 398 M C -1.919 174.417 176.300 0.059 0.000 1.052 398 M CA -0.645 54.691 55.300 0.059 0.000 0.936 398 M CB 4.129 36.782 32.600 0.088 0.000 1.639 398 M HN 0.556 8.892 8.290 0.077 0.000 0.433 399 V N 6.155 126.091 119.914 0.037 0.000 2.483 399 V HA 0.668 nan 4.120 nan 0.000 0.295 399 V C -1.263 174.840 176.094 0.014 0.000 1.035 399 V CA -0.980 61.339 62.300 0.032 0.000 0.896 399 V CB 1.450 33.285 31.823 0.019 0.000 0.986 399 V HN 0.402 8.608 8.190 0.027 0.000 0.447 400 M N 6.465 126.074 119.600 0.015 0.000 2.456 400 M HA 0.595 nan 4.480 nan 0.000 0.324 400 M C -2.110 174.143 176.300 -0.079 0.000 1.124 400 M CA -1.002 54.261 55.300 -0.063 0.000 0.959 400 M CB 4.103 36.673 32.600 -0.049 0.000 1.692 400 M HN 0.686 9.005 8.290 0.048 0.000 0.444 401 S N 0.415 115.986 115.700 -0.216 0.000 2.526 401 S HA 0.617 nan 4.470 nan 0.000 0.293 401 S C -1.793 172.604 174.600 -0.337 0.000 1.092 401 S CA -1.434 56.693 58.200 -0.122 0.000 0.980 401 S CB 2.707 65.881 63.200 -0.043 0.000 1.048 401 S HN 0.694 8.832 8.310 -0.287 0.000 0.483 402 Y N 6.198 126.524 120.300 0.044 0.000 2.349 402 Y HA 0.242 nan 4.550 nan 0.000 0.324 402 Y C -1.158 174.775 175.900 0.055 0.000 1.005 402 Y CA -0.900 57.227 58.100 0.045 0.000 1.240 402 Y CB 2.278 40.759 38.460 0.036 0.000 1.117 402 Y HN 0.612 9.029 8.280 0.227 0.000 0.463 403 G N 3.011 111.897 108.800 0.143 0.000 4.110 403 G HA2 0.037 nan 3.960 nan 0.000 0.292 403 G HA3 0.037 nan 3.960 nan 0.000 0.292 403 G C -0.378 174.580 174.900 0.096 0.000 1.020 403 G CA 0.334 45.504 45.100 0.116 0.000 0.808 403 G HN 0.325 8.676 8.290 0.101 0.000 0.474 404 N N -0.131 118.633 118.700 0.106 0.000 2.236 404 N HA 0.004 nan 4.740 nan 0.000 0.196 404 N C -0.570 174.982 175.510 0.071 0.000 1.114 404 N CA -0.102 52.997 53.050 0.082 0.000 0.859 404 N CB 1.146 39.684 38.487 0.085 0.000 0.982 404 N HN -0.334 8.352 8.380 0.137 -0.224 0.493 405 S N -0.511 115.234 115.700 0.076 0.000 2.541 405 S HA 0.135 nan 4.470 nan 0.000 0.271 405 S C -1.222 173.406 174.600 0.046 0.000 1.133 405 S CA -0.867 57.365 58.200 0.053 0.000 0.876 405 S CB 1.179 64.409 63.200 0.050 0.000 1.105 405 S HN -0.599 7.991 8.310 0.097 -0.221 0.470 406 E N 2.442 122.657 120.200 0.026 0.000 2.340 406 E HA 0.068 nan 4.350 nan 0.000 0.194 406 E C 0.859 177.463 176.600 0.006 0.000 0.996 406 E CA 0.984 57.392 56.400 0.012 0.000 0.869 406 E CB 0.305 30.005 29.700 -0.001 0.000 0.835 406 E HN 0.399 8.772 8.360 0.022 0.000 0.493 407 E N 0.755 120.959 120.200 0.007 0.000 2.346 407 E HA -0.011 nan 4.350 nan 0.000 0.317 407 E C -0.471 176.131 176.600 0.003 0.000 1.404 407 E CA -1.124 55.275 56.400 -0.001 0.000 1.534 407 E CB -2.544 27.152 29.700 -0.006 0.000 1.309 407 E HN -0.626 7.703 8.360 0.013 0.039 0.499 408 D N -1.049 119.354 120.400 0.005 0.000 4.306 408 D HA -0.551 nan 4.640 nan 0.000 0.331 408 D C 0.501 176.814 176.300 0.021 0.000 0.940 408 D CA 2.405 56.408 54.000 0.006 0.000 1.695 408 D CB -1.287 39.509 40.800 -0.006 0.000 0.949 408 D HN 0.227 8.531 8.370 0.003 0.067 0.546 409 S N 3.596 119.312 115.700 0.027 0.000 2.509 409 S HA -0.136 nan 4.470 nan 0.000 0.287 409 S C -0.524 174.163 174.600 0.145 0.000 1.248 409 S CA 1.060 59.309 58.200 0.082 0.000 1.089 409 S CB 0.082 63.284 63.200 0.003 0.000 0.900 409 S HN -0.193 8.084 8.310 0.005 0.037 0.496 410 Q N 5.682 125.604 119.800 0.204 0.000 2.296 410 Q HA -0.010 nan 4.340 nan 0.000 0.263 410 Q C 0.264 176.448 176.000 0.308 0.000 1.026 410 Q CA -1.503 54.433 55.803 0.222 0.000 0.912 410 Q CB -0.209 28.674 28.738 0.240 0.000 1.198 410 Q HN 0.075 8.340 8.270 0.172 0.108 0.407 411 E N 4.644 124.937 120.200 0.156 0.000 2.435 411 E HA -0.207 nan 4.350 nan 0.000 0.256 411 E C -0.390 176.130 176.600 -0.134 0.000 1.245 411 E CA 0.077 56.456 56.400 -0.034 0.000 0.989 411 E CB 0.850 30.514 29.700 -0.061 0.000 0.983 411 E HN 0.073 8.757 8.360 0.125 -0.249 0.480 412 H N -2.089 116.842 119.070 -0.231 0.000 2.546 412 H HA 0.190 nan 4.556 nan 0.000 0.365 412 H C -0.254 174.988 175.328 -0.142 0.000 1.220 412 H CA 0.022 55.792 56.048 -0.463 0.000 1.386 412 H CB 0.896 30.224 29.762 -0.724 0.000 1.510 412 H HN 0.150 8.012 8.280 -0.697 0.000 0.591 413 T N -2.986 111.613 114.554 0.076 0.000 2.916 413 T HA 0.264 nan 4.350 nan 0.000 0.292 413 T C 0.628 175.460 174.700 0.218 0.000 1.064 413 T CA -2.233 59.946 62.100 0.131 0.000 1.011 413 T CB 2.327 71.269 68.868 0.124 0.000 1.152 413 T HN 0.442 8.613 8.240 0.054 0.101 0.510 414 G N -0.918 108.007 108.800 0.208 0.000 2.985 414 G HA2 -0.009 nan 3.960 nan 0.000 0.209 414 G HA3 -0.009 nan 3.960 nan 0.000 0.209 414 G C -0.718 174.290 174.900 0.180 0.000 1.165 414 G CA -0.444 44.803 45.100 0.245 0.000 0.776 414 G HN 0.145 8.529 8.290 0.156 0.000 0.541 415 S N -1.289 114.526 115.700 0.191 0.000 2.560 415 S HA -0.127 nan 4.470 nan 0.000 0.284 415 S C -0.078 174.640 174.600 0.198 0.000 1.327 415 S CA -0.679 57.612 58.200 0.151 0.000 1.055 415 S CB 1.145 64.432 63.200 0.145 0.000 0.868 415 S HN -0.668 7.702 8.310 0.203 0.062 0.506 416 Q N 3.955 123.824 119.800 0.116 0.000 2.454 416 Q HA 0.324 nan 4.340 nan 0.000 0.247 416 Q C -0.686 175.455 176.000 0.235 0.000 1.028 416 Q CA 0.392 56.293 55.803 0.163 0.000 0.910 416 Q CB 0.360 29.172 28.738 0.124 0.000 1.276 416 Q HN 0.155 8.473 8.270 0.081 0.000 0.489 417 L N -6.826 114.574 121.223 0.296 0.000 2.491 417 L HA 0.588 nan 4.340 nan 0.000 0.254 417 L C -1.454 175.480 176.870 0.105 0.000 1.048 417 L CA -1.805 53.156 54.840 0.201 0.000 0.855 417 L CB 2.857 45.050 42.059 0.224 0.000 1.466 417 L HN -0.197 8.268 8.230 0.393 0.000 0.409 418 R N -0.533 119.985 120.500 0.030 0.000 2.585 418 R HA 0.052 nan 4.340 nan 0.000 0.275 418 R C -1.420 174.771 176.300 -0.182 0.000 1.018 418 R CA 1.229 57.303 56.100 -0.043 0.000 1.072 418 R CB 0.628 30.916 30.300 -0.021 0.000 0.953 418 R HN -0.090 8.347 8.270 0.049 -0.138 0.419 419 I N 3.377 123.812 120.570 -0.225 0.000 2.582 419 I HA 0.566 nan 4.170 nan 0.000 0.292 419 I C -2.996 173.023 176.117 -0.163 0.000 1.066 419 I CA -2.171 58.929 61.300 -0.334 0.000 1.053 419 I CB 3.885 41.529 38.000 -0.593 0.000 1.241 419 I HN -0.068 8.059 8.210 -0.139 0.000 0.421 420 A N 6.023 128.765 122.820 -0.130 0.000 2.498 420 A HA 1.053 nan 4.320 nan 0.000 0.298 420 A C -2.973 174.589 177.584 -0.037 0.000 1.075 420 A CA -1.795 50.208 52.037 -0.057 0.000 0.714 420 A CB 4.206 23.186 19.000 -0.035 0.000 1.299 420 A HN 0.767 8.820 8.150 -0.161 0.000 0.407 421 A N 0.109 122.935 122.820 0.010 0.000 2.593 421 A HA 1.035 nan 4.320 nan 0.000 0.290 421 A C -3.174 174.479 177.584 0.115 0.000 1.126 421 A CA -1.004 51.056 52.037 0.039 0.000 0.695 421 A CB 3.844 22.852 19.000 0.014 0.000 1.290 421 A HN 0.497 8.660 8.150 0.021 0.000 0.414 422 Y N -0.047 120.247 120.300 -0.010 0.000 2.479 422 Y HA 0.329 nan 4.550 nan 0.000 0.338 422 Y C -1.983 173.915 175.900 -0.003 0.000 1.055 422 Y CA -0.635 57.463 58.100 -0.004 0.000 1.023 422 Y CB 3.331 41.790 38.460 -0.002 0.000 1.287 422 Y HN 0.510 8.865 8.280 0.125 0.000 0.447 423 G N 4.381 112.683 108.800 -0.830 0.000 2.409 423 G HA2 -0.256 nan 3.960 nan 0.000 0.421 423 G HA3 -0.256 nan 3.960 nan 0.000 0.421 423 G C -3.248 171.481 174.900 -0.285 0.000 1.259 423 G CA -0.744 43.989 45.100 -0.612 0.000 1.011 423 G HN 0.129 7.924 8.290 -0.825 0.000 0.497 424 P HA -0.177 nan 4.420 nan 0.000 0.264 424 P C -0.910 176.438 177.300 0.080 0.000 1.193 424 P CA 0.780 63.861 63.100 -0.033 0.000 0.763 424 P CB -0.308 31.427 31.700 0.058 0.000 0.810 425 H N -1.551 117.476 119.070 -0.072 0.000 3.211 425 H HA -0.452 nan 4.556 nan 0.000 0.240 425 H C 1.083 176.390 175.328 -0.037 0.000 1.148 425 H CA 2.073 58.095 56.048 -0.043 0.000 1.160 425 H CB -1.544 28.200 29.762 -0.030 0.000 1.232 425 H HN 0.728 8.862 8.280 -0.242 0.000 0.321 426 A N -1.474 121.345 122.820 -0.002 0.000 2.070 426 A HA -0.283 nan 4.320 nan 0.000 0.220 426 A C 0.792 178.375 177.584 -0.001 0.000 1.159 426 A CA 2.829 54.862 52.037 -0.006 0.000 0.656 426 A CB -0.703 18.270 19.000 -0.045 0.000 0.800 426 A HN -0.532 7.525 8.150 -0.052 0.063 0.453 427 A N -1.748 121.061 122.820 -0.019 0.000 2.024 427 A HA -0.299 nan 4.320 nan 0.000 0.220 427 A C 1.695 179.289 177.584 0.017 0.000 1.164 427 A CA 2.668 54.699 52.037 -0.010 0.000 0.643 427 A CB -0.836 18.144 19.000 -0.033 0.000 0.806 427 A HN 0.377 8.463 8.150 -0.048 0.035 0.451 428 N N -3.734 114.989 118.700 0.039 0.000 2.609 428 N HA -0.165 nan 4.740 nan 0.000 0.190 428 N C 0.939 176.491 175.510 0.069 0.000 1.157 428 N CA 1.933 55.022 53.050 0.065 0.000 0.918 428 N CB 0.224 38.770 38.487 0.099 0.000 0.978 428 N HN -0.459 7.903 8.380 0.042 0.043 0.448 429 V N -9.257 110.685 119.914 0.048 0.000 3.660 429 V HA 0.258 nan 4.120 nan 0.000 0.276 429 V C 0.596 176.710 176.094 0.033 0.000 1.317 429 V CA -0.728 61.596 62.300 0.039 0.000 1.097 429 V CB 0.349 32.171 31.823 -0.001 0.000 0.863 429 V HN -0.589 7.562 8.190 0.035 0.060 0.438 430 V N 1.228 121.162 119.914 0.033 0.000 2.732 430 V HA 0.013 nan 4.120 nan 0.000 0.297 430 V C 0.843 176.962 176.094 0.042 0.000 1.060 430 V CA 0.460 62.779 62.300 0.031 0.000 1.038 430 V CB -0.527 31.310 31.823 0.023 0.000 1.003 430 V HN -0.304 7.746 8.190 0.033 0.160 0.481 431 G N 3.880 112.705 108.800 0.042 0.000 2.681 431 G HA2 -0.351 nan 3.960 nan 0.000 0.220 431 G HA3 -0.351 nan 3.960 nan 0.000 0.220 431 G C -2.452 172.488 174.900 0.067 0.000 1.353 431 G CA -0.703 44.426 45.100 0.049 0.000 0.872 431 G HN 0.042 8.354 8.290 0.037 0.000 0.557 432 L N 0.561 121.827 121.223 0.073 0.000 2.319 432 L HA 0.430 nan 4.340 nan 0.000 0.280 432 L C -0.149 176.790 176.870 0.114 0.000 1.099 432 L CA 0.594 55.492 54.840 0.096 0.000 0.828 432 L CB 0.869 42.978 42.059 0.084 0.000 1.150 432 L HN -0.067 8.200 8.230 0.062 0.000 0.442 433 T N 2.228 116.878 114.554 0.161 0.000 2.693 433 T HA 0.536 nan 4.350 nan 0.000 0.278 433 T C -2.323 172.491 174.700 0.189 0.000 0.994 433 T CA -1.693 60.509 62.100 0.170 0.000 1.033 433 T CB 3.464 72.448 68.868 0.193 0.000 1.342 433 T HN 0.488 8.846 8.240 0.197 0.000 0.538 434 D N -1.082 119.408 120.400 0.149 0.000 2.433 434 D HA 0.419 nan 4.640 nan 0.000 0.236 434 D C 0.794 177.083 176.300 -0.019 0.000 1.026 434 D CA -2.086 51.936 54.000 0.037 0.000 0.884 434 D CB 3.147 43.958 40.800 0.018 0.000 1.384 434 D HN -0.243 8.414 8.370 0.168 -0.187 0.477 435 Q N 3.835 123.438 119.800 -0.329 0.000 2.152 435 Q HA -0.374 nan 4.340 nan 0.000 0.206 435 Q C 2.133 178.159 176.000 0.043 0.000 0.985 435 Q CA 3.510 59.105 55.803 -0.346 0.000 0.863 435 Q CB 0.342 28.810 28.738 -0.450 0.000 0.904 435 Q HN 0.559 8.578 8.270 -0.417 0.000 0.422 436 T N -3.642 110.933 114.554 0.035 0.000 2.915 436 T HA -0.216 nan 4.350 nan 0.000 0.269 436 T C 1.682 176.596 174.700 0.356 0.000 1.071 436 T CA 3.600 65.795 62.100 0.160 0.000 1.132 436 T CB -0.862 68.067 68.868 0.102 0.000 0.878 436 T HN -0.267 8.245 8.240 -0.056 -0.305 0.479 437 D N 2.358 122.928 120.400 0.284 0.000 2.178 437 D HA -0.208 nan 4.640 nan 0.000 0.201 437 D C 1.613 178.114 176.300 0.335 0.000 0.980 437 D CA 3.478 57.672 54.000 0.324 0.000 0.842 437 D CB -0.441 40.489 40.800 0.216 0.000 0.948 437 D HN -0.239 8.103 8.370 0.185 0.139 0.472 438 L N -0.675 120.740 121.223 0.319 0.000 2.083 438 L HA -0.270 nan 4.340 nan 0.000 0.209 438 L C 1.061 178.082 176.870 0.252 0.000 1.083 438 L CA 2.778 57.789 54.840 0.285 0.000 0.752 438 L CB -0.320 41.944 42.059 0.343 0.000 0.899 438 L HN -0.548 7.754 8.230 0.317 0.119 0.433 439 F N -0.211 119.807 119.950 0.114 0.000 2.095 439 F HA -0.483 nan 4.527 nan 0.000 0.298 439 F C 1.051 176.739 175.800 -0.187 0.000 1.104 439 F CA 4.069 62.023 58.000 -0.076 0.000 1.232 439 F CB -0.132 38.722 39.000 -0.244 0.000 0.987 439 F HN -0.775 7.778 8.300 0.423 0.000 0.475 440 Y N -3.201 117.159 120.300 0.100 0.000 2.293 440 Y HA -0.409 nan 4.550 nan 0.000 0.291 440 Y C 2.506 178.362 175.900 -0.074 0.000 1.137 440 Y CA 4.145 62.228 58.100 -0.029 0.000 1.202 440 Y CB -0.663 37.858 38.460 0.103 0.000 0.990 440 Y HN -0.593 7.925 8.280 0.397 0.000 0.537 441 T N 3.301 117.923 114.554 0.113 0.000 2.737 441 T HA -0.373 nan 4.350 nan 0.000 0.265 441 T C 1.971 176.642 174.700 -0.048 0.000 1.038 441 T CA 5.179 67.316 62.100 0.061 0.000 1.144 441 T CB -0.460 68.472 68.868 0.107 0.000 0.866 441 T HN 0.390 8.741 8.240 0.185 0.000 0.434 442 M N 0.981 120.531 119.600 -0.083 0.000 2.132 442 M HA -0.419 nan 4.480 nan 0.000 0.263 442 M C 1.529 177.690 176.300 -0.232 0.000 1.065 442 M CA 4.390 59.621 55.300 -0.114 0.000 1.122 442 M CB -0.227 32.340 32.600 -0.056 0.000 1.365 442 M HN 0.046 8.302 8.290 -0.055 0.000 0.411 443 K N -0.052 120.110 120.400 -0.397 0.000 2.009 443 K HA -0.381 nan 4.320 nan 0.000 0.210 443 K C 1.974 178.425 176.600 -0.249 0.000 1.049 443 K CA 3.586 59.622 56.287 -0.419 0.000 0.929 443 K CB 0.063 32.156 32.500 -0.678 0.000 0.714 443 K HN 0.104 8.049 8.250 -0.508 0.000 0.440 444 A N -2.294 120.410 122.820 -0.193 0.000 1.930 444 A HA -0.141 nan 4.320 nan 0.000 0.217 444 A C 2.580 179.975 177.584 -0.315 0.000 1.175 444 A CA 2.669 54.609 52.037 -0.161 0.000 0.627 444 A CB -0.922 18.035 19.000 -0.070 0.000 0.815 444 A HN -0.076 7.969 8.150 -0.176 0.000 0.443 445 A N -0.170 122.395 122.820 -0.424 0.000 1.902 445 A HA -0.209 nan 4.320 nan 0.000 0.217 445 A C 1.686 179.068 177.584 -0.337 0.000 1.181 445 A CA 2.790 54.438 52.037 -0.649 0.000 0.623 445 A CB -0.457 18.319 19.000 -0.373 0.000 0.818 445 A HN -0.001 7.971 8.150 -0.296 0.000 0.443 446 L N -5.836 115.259 121.223 -0.214 0.000 2.554 446 L HA -0.153 nan 4.340 nan 0.000 0.226 446 L C 0.157 176.959 176.870 -0.114 0.000 1.137 446 L CA -0.811 53.949 54.840 -0.134 0.000 0.863 446 L CB -0.393 41.602 42.059 -0.107 0.000 0.985 446 L HN -0.319 7.781 8.230 -0.216 0.000 0.451 447 G N -2.076 106.645 108.800 -0.132 0.000 2.160 447 G HA2 -0.387 nan 3.960 nan 0.000 0.251 447 G HA3 -0.387 nan 3.960 nan 0.000 0.251 447 G C -0.347 174.509 174.900 -0.073 0.000 1.008 447 G CA 0.273 45.321 45.100 -0.087 0.000 0.724 447 G HN -0.669 7.322 8.290 -0.177 0.194 0.514 448 L N 0.461 121.623 121.223 -0.101 0.000 2.436 448 L HA -0.030 nan 4.340 nan 0.000 0.265 448 L C -0.896 175.931 176.870 -0.071 0.000 1.168 448 L CA 0.539 55.324 54.840 -0.092 0.000 0.815 448 L CB 0.655 42.629 42.059 -0.142 0.000 1.109 448 L HN -0.349 7.777 8.230 -0.134 0.024 0.462 449 K N 0.000 120.376 120.400 -0.040 0.000 2.780 449 K HA 0.000 nan 4.320 nan 0.000 0.191 449 K CA 0.000 56.281 56.287 -0.010 0.000 0.838 449 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 449 K HN 0.000 8.227 8.250 -0.038 0.000 0.543