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 1mqm_1_A DATA FIRST_RESID 9 DATA SEQUENCE STATLCLGHH AVPNGTIVKT ITDDQIEVTN ATELVQSSST GKIcNNPHRI DATA SEQUENCE LDGRAcTLID ALLGDPHcDV FQNETWDLFV ERSNAFSNcY PYDIPDYASL DATA SEQUENCE RSLVASSGTL EFITEGFTWT GVTQNGGSSA cKRGPANGFF SRLNWLTKSE DATA SEQUENCE SAYPVLNVTM PNNDNFDKLY IWGVHHPSTN QEQTNLYVQA SGRVTVSTRR DATA SEQUENCE SQQTIIPNIG SRPWVRGQPG RISIYWTIVK PGDVLVINSN GNLIAPRGYF DATA SEQUENCE KMRTGKSSIM RSDAPIDTcI SEcITPNGSI PNDKPFQNVN KITYGAcPKY DATA SEQUENCE VKQNTLKLAT GMRNVPEK 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.600 174.600 -0.000 0.000 1.055 9 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 9 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 10 T N 0.504 115.057 114.554 -0.000 0.000 2.930 10 T HA 0.933 5.283 4.350 -0.000 0.000 0.290 10 T C -0.333 174.366 174.700 -0.000 0.000 1.052 10 T CA -0.233 61.867 62.100 -0.000 0.000 1.017 10 T CB 1.735 70.603 68.868 -0.000 0.000 1.137 10 T HN 1.347 nan 8.240 nan 0.000 0.511 11 A N 0.648 123.468 122.820 -0.000 0.000 2.435 11 A HA 0.864 5.184 4.320 -0.000 0.000 0.296 11 A C -0.402 177.182 177.584 -0.001 0.000 1.147 11 A CA -0.940 51.096 52.037 -0.001 0.000 0.775 11 A CB 1.599 20.598 19.000 -0.001 0.000 1.340 11 A HN 0.907 nan 8.150 nan 0.000 0.427 12 T N 1.056 115.609 114.554 -0.001 0.000 2.937 12 T HA 0.515 4.865 4.350 -0.000 0.000 0.297 12 T C -1.475 173.224 174.700 -0.002 0.000 0.991 12 T CA -0.133 61.966 62.100 -0.001 0.000 0.990 12 T CB 0.971 69.838 68.868 -0.001 0.000 0.991 12 T HN 0.596 nan 8.240 nan 0.000 0.440 13 L N 3.746 124.969 121.223 -0.001 0.000 2.319 13 L HA 0.674 5.014 4.340 -0.000 0.000 0.281 13 L C -1.034 175.835 176.870 -0.001 0.000 1.005 13 L CA -0.377 54.462 54.840 -0.001 0.000 0.828 13 L CB 0.624 42.682 42.059 -0.001 0.000 1.227 13 L HN 0.767 nan 8.230 nan 0.000 0.415 14 C N 5.299 124.597 119.300 -0.003 0.000 2.329 14 C HA 0.639 5.099 4.460 -0.000 0.000 0.329 14 C C -0.054 174.933 174.990 -0.004 0.000 1.275 14 C CA -0.916 58.099 59.018 -0.004 0.000 1.726 14 C CB 0.852 28.588 27.740 -0.008 0.000 2.291 14 C HN 0.645 nan 8.230 nan 0.000 0.514 15 L N 3.142 124.366 121.223 0.001 0.000 2.307 15 L HA 0.805 5.145 4.340 -0.000 0.000 0.282 15 L C 0.738 177.612 176.870 0.007 0.000 1.051 15 L CA 0.889 55.733 54.840 0.006 0.000 0.804 15 L CB 1.237 43.305 42.059 0.015 0.000 1.197 15 L HN 0.950 nan 8.230 nan 0.000 0.431 16 G N 0.320 109.121 108.800 0.002 0.000 2.749 16 G HA2 0.668 4.628 3.960 -0.000 0.000 0.300 16 G HA3 0.668 4.628 3.960 -0.000 0.000 0.300 16 G C -1.816 173.093 174.900 0.015 0.000 1.352 16 G CA -0.476 44.606 45.100 -0.030 0.000 0.789 16 G HN 0.735 nan 8.290 nan 0.000 0.509 17 H N -2.215 116.865 119.070 0.017 0.000 2.985 17 H HA 0.707 5.263 4.556 -0.000 0.000 0.360 17 H C -0.086 175.304 175.328 0.104 0.000 1.221 17 H CA -0.832 55.225 56.048 0.014 0.000 1.121 17 H CB 0.777 30.552 29.762 0.022 0.000 1.854 17 H HN 0.883 nan 8.280 nan 0.000 0.551 18 H N 0.683 119.811 119.070 0.097 0.000 2.534 18 H HA 0.824 5.380 4.556 -0.000 0.000 0.364 18 H C -0.843 174.553 175.328 0.112 0.000 1.328 18 H CA -0.839 55.234 56.048 0.043 0.000 1.415 18 H CB 0.964 30.752 29.762 0.044 0.000 1.573 18 H HN 0.853 nan 8.280 nan 0.000 0.601 19 A N 0.507 123.343 122.820 0.026 0.000 2.609 19 A HA 0.539 4.859 4.320 -0.000 0.000 0.291 19 A C -0.786 176.704 177.584 -0.157 0.000 1.096 19 A CA -0.231 51.774 52.037 -0.053 0.000 0.684 19 A CB 1.550 20.558 19.000 0.013 0.000 1.282 19 A HN 0.871 nan 8.150 nan 0.000 0.412 20 V N -1.999 117.836 119.914 -0.131 0.000 3.046 20 V HA 0.718 4.838 4.120 -0.000 0.000 0.316 20 V C -2.209 173.851 176.094 -0.057 0.000 1.104 20 V CA -1.694 60.539 62.300 -0.111 0.000 1.006 20 V CB 0.844 32.591 31.823 -0.126 0.000 1.058 20 V HN 0.640 nan 8.190 nan 0.000 0.440 21 P HA 0.047 nan 4.420 nan 0.000 0.210 21 P C 0.505 177.792 177.300 -0.022 0.000 1.189 21 P CA 2.145 65.229 63.100 -0.026 0.000 0.920 21 P CB -0.134 31.553 31.700 -0.022 0.000 0.782 22 N N -0.281 118.406 118.700 -0.023 0.000 2.476 22 N HA 0.501 5.241 4.740 -0.000 0.000 0.257 22 N C 0.399 175.896 175.510 -0.022 0.000 0.970 22 N CA -0.161 52.879 53.050 -0.017 0.000 0.938 22 N CB 0.895 39.375 38.487 -0.013 0.000 1.144 22 N HN 0.201 nan 8.380 nan 0.000 0.500 23 G N -0.352 108.436 108.800 -0.019 0.000 2.582 23 G HA2 0.584 4.544 3.960 -0.000 0.000 0.232 23 G HA3 0.584 4.544 3.960 -0.000 0.000 0.232 23 G C -0.131 174.762 174.900 -0.012 0.000 1.458 23 G CA 0.081 45.169 45.100 -0.019 0.000 1.062 23 G HN 0.694 nan 8.290 nan 0.000 0.566 24 T N 0.217 114.767 114.554 -0.007 0.000 2.991 24 T HA 0.396 4.746 4.350 -0.000 0.000 0.303 24 T C -0.229 174.471 174.700 -0.000 0.000 1.015 24 T CA -0.213 61.886 62.100 -0.003 0.000 1.007 24 T CB 1.465 70.332 68.868 -0.001 0.000 1.034 24 T HN 0.336 nan 8.240 nan 0.000 0.446 25 I N 3.079 123.649 120.570 0.000 0.000 2.529 25 I HA 0.452 4.622 4.170 -0.000 0.000 0.284 25 I C -0.164 175.955 176.117 0.003 0.000 1.082 25 I CA -0.237 61.064 61.300 0.001 0.000 1.406 25 I CB 0.874 38.874 38.000 0.001 0.000 1.405 25 I HN 0.261 nan 8.210 nan 0.000 0.548 26 V N 6.209 126.125 119.914 0.003 0.000 3.130 26 V HA 0.408 4.528 4.120 -0.000 0.000 0.310 26 V C -0.608 175.487 176.094 0.003 0.000 1.158 26 V CA -1.005 61.298 62.300 0.005 0.000 1.029 26 V CB 2.723 34.550 31.823 0.006 0.000 1.057 26 V HN 0.626 nan 8.190 nan 0.000 0.436 27 K N 1.301 121.703 120.400 0.003 0.000 2.221 27 K HA 0.742 5.062 4.320 -0.000 0.000 0.258 27 K C -0.341 176.260 176.600 0.002 0.000 0.944 27 K CA -0.548 55.739 56.287 0.001 0.000 0.823 27 K CB 2.023 34.522 32.500 -0.002 0.000 1.113 27 K HN 0.929 nan 8.250 nan 0.000 0.431 28 T N -2.069 112.485 114.554 0.000 0.000 2.572 28 T HA 0.414 4.764 4.350 -0.000 0.000 0.244 28 T C 1.129 175.829 174.700 -0.001 0.000 0.860 28 T CA -0.791 61.309 62.100 0.001 0.000 1.125 28 T CB 0.171 69.039 68.868 0.000 0.000 1.491 28 T HN 0.426 nan 8.240 nan 0.000 0.532 29 I N 1.123 121.693 120.570 -0.001 0.000 3.228 29 I HA 0.065 4.235 4.170 -0.000 0.000 0.279 29 I C 1.999 178.115 176.117 -0.002 0.000 1.221 29 I CA 0.959 62.258 61.300 -0.002 0.000 1.458 29 I CB 0.058 38.057 38.000 -0.001 0.000 1.105 29 I HN 0.856 nan 8.210 nan 0.000 0.445 30 T N -3.816 110.737 114.554 -0.002 0.000 3.085 30 T HA 0.281 4.631 4.350 -0.000 0.000 0.264 30 T C 0.143 174.842 174.700 -0.002 0.000 1.019 30 T CA -0.334 61.765 62.100 -0.002 0.000 0.910 30 T CB 0.203 69.069 68.868 -0.002 0.000 1.059 30 T HN -0.034 nan 8.240 nan 0.000 0.542 31 D N 1.599 121.998 120.400 -0.002 0.000 2.927 31 D HA 0.150 4.789 4.640 -0.000 0.000 0.219 31 D C -0.526 175.772 176.300 -0.003 0.000 1.248 31 D CA -0.323 53.676 54.000 -0.002 0.000 0.861 31 D CB 2.247 43.047 40.800 -0.001 0.000 1.677 31 D HN 0.220 nan 8.370 nan 0.000 0.511 32 D N 0.202 120.600 120.400 -0.003 0.000 2.360 32 D HA -0.037 4.603 4.640 -0.000 0.000 0.210 32 D C -0.030 176.268 176.300 -0.003 0.000 1.047 32 D CA 0.300 54.298 54.000 -0.005 0.000 0.854 32 D CB 1.095 41.892 40.800 -0.006 0.000 0.936 32 D HN 0.294 nan 8.370 nan 0.000 0.514 33 Q N 0.450 120.249 119.800 -0.002 0.000 2.309 33 Q HA 0.544 4.884 4.340 -0.000 0.000 0.254 33 Q C -1.482 174.518 176.000 -0.000 0.000 0.938 33 Q CA -0.264 55.538 55.803 -0.001 0.000 0.789 33 Q CB 2.677 31.415 28.738 -0.001 0.000 1.313 33 Q HN 0.162 nan 8.270 nan 0.000 0.438 34 I N 0.925 121.495 120.570 0.001 0.000 2.775 34 I HA 0.332 4.502 4.170 -0.000 0.000 0.295 34 I C -1.322 174.796 176.117 0.002 0.000 1.287 34 I CA -0.485 60.816 61.300 0.001 0.000 1.029 34 I CB 2.199 40.199 38.000 0.001 0.000 1.282 34 I HN 0.543 nan 8.210 nan 0.000 0.426 35 E N 6.404 126.605 120.200 0.003 0.000 2.200 35 E HA 0.521 4.871 4.350 -0.000 0.000 0.283 35 E C -1.265 175.337 176.600 0.003 0.000 1.015 35 E CA -0.588 55.813 56.400 0.002 0.000 0.819 35 E CB 1.534 31.236 29.700 0.002 0.000 1.081 35 E HN 0.446 nan 8.360 nan 0.000 0.397 36 V N 1.126 121.042 119.914 0.002 0.000 2.960 36 V HA 0.357 4.477 4.120 -0.000 0.000 0.315 36 V C 1.232 177.324 176.094 -0.002 0.000 1.087 36 V CA -0.084 62.218 62.300 0.004 0.000 0.982 36 V CB 1.130 32.957 31.823 0.007 0.000 1.039 36 V HN 0.852 nan 8.190 nan 0.000 0.437 37 T N -0.865 113.687 114.554 -0.003 0.000 2.833 37 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 37 T C 0.682 175.368 174.700 -0.024 0.000 1.054 37 T CA 1.823 63.901 62.100 -0.037 0.000 1.135 37 T CB -0.509 68.310 68.868 -0.081 0.000 0.869 37 T HN 0.989 nan 8.240 nan 0.000 0.466 38 N N -0.304 118.397 118.700 0.001 0.000 2.598 38 N HA 0.598 5.338 4.740 -0.000 0.000 0.263 38 N C -1.784 173.733 175.510 0.011 0.000 1.254 38 N CA -0.069 52.984 53.050 0.005 0.000 0.863 38 N CB 1.700 40.195 38.487 0.014 0.000 1.586 38 N HN 0.504 nan 8.380 nan 0.000 0.491 39 A N 0.227 123.052 122.820 0.009 0.000 2.599 39 A HA 0.771 5.091 4.320 -0.000 0.000 0.290 39 A C -1.332 176.258 177.584 0.009 0.000 1.101 39 A CA -0.493 51.550 52.037 0.010 0.000 0.674 39 A CB 1.289 20.295 19.000 0.010 0.000 1.277 39 A HN 0.596 nan 8.150 nan 0.000 0.419 40 T N -0.268 114.292 114.554 0.010 0.000 2.900 40 T HA 0.549 4.899 4.350 -0.000 0.000 0.295 40 T C -1.291 173.417 174.700 0.013 0.000 1.044 40 T CA -0.378 61.727 62.100 0.008 0.000 0.995 40 T CB 1.467 70.338 68.868 0.004 0.000 1.072 40 T HN 0.560 nan 8.240 nan 0.000 0.473 41 E N 3.040 123.247 120.200 0.013 0.000 2.289 41 E HA 0.259 4.609 4.350 -0.000 0.000 0.278 41 E C 0.526 177.140 176.600 0.022 0.000 1.032 41 E CA -0.100 56.312 56.400 0.021 0.000 0.854 41 E CB 1.176 30.887 29.700 0.019 0.000 1.046 41 E HN 0.609 nan 8.360 nan 0.000 0.409 42 L N 2.391 123.644 121.223 0.049 0.000 2.616 42 L HA 0.155 4.495 4.340 -0.000 0.000 0.229 42 L C 0.211 177.140 176.870 0.099 0.000 1.110 42 L CA 0.103 54.974 54.840 0.051 0.000 0.884 42 L CB 0.655 42.779 42.059 0.109 0.000 1.115 42 L HN 0.129 nan 8.230 nan 0.000 0.481 43 V N 0.945 120.922 119.914 0.105 0.000 2.311 43 V HA 0.221 4.341 4.120 -0.000 0.000 0.275 43 V C 0.186 176.316 176.094 0.061 0.000 1.022 43 V CA -0.647 61.718 62.300 0.109 0.000 0.830 43 V CB 1.205 33.074 31.823 0.076 0.000 1.012 43 V HN 0.094 nan 8.190 nan 0.000 0.452 44 Q N 2.926 122.762 119.800 0.060 0.000 2.262 44 Q HA 0.120 4.460 4.340 -0.000 0.000 0.272 44 Q C 0.991 177.023 176.000 0.053 0.000 1.076 44 Q CA 0.433 56.265 55.803 0.048 0.000 0.905 44 Q CB 1.343 30.111 28.738 0.050 0.000 1.182 44 Q HN 0.963 nan 8.270 nan 0.000 0.390 45 S N 0.715 116.441 115.700 0.043 0.000 2.603 45 S HA 0.280 4.750 4.470 -0.000 0.000 0.232 45 S C 0.510 175.137 174.600 0.045 0.000 1.016 45 S CA -0.459 57.768 58.200 0.044 0.000 0.976 45 S CB 0.751 63.969 63.200 0.030 0.000 0.921 45 S HN 0.234 nan 8.310 nan 0.000 0.516 46 S N 1.013 116.738 115.700 0.042 0.000 2.542 46 S HA 0.770 5.240 4.470 -0.000 0.000 0.293 46 S C -0.901 173.723 174.600 0.041 0.000 1.089 46 S CA -0.442 57.781 58.200 0.038 0.000 0.961 46 S CB 2.034 65.252 63.200 0.029 0.000 1.062 46 S HN 0.395 nan 8.310 nan 0.000 0.483 47 S N 0.613 116.337 115.700 0.039 0.000 2.566 47 S HA 0.475 4.945 4.470 -0.000 0.000 0.298 47 S C 1.289 175.908 174.600 0.031 0.000 1.083 47 S CA -0.015 58.208 58.200 0.039 0.000 0.978 47 S CB 1.297 64.523 63.200 0.043 0.000 1.073 47 S HN 0.880 nan 8.310 nan 0.000 0.491 48 T N 0.705 115.277 114.554 0.030 0.000 2.951 48 T HA 0.227 4.577 4.350 -0.000 0.000 0.268 48 T C 1.491 176.206 174.700 0.023 0.000 1.073 48 T CA 1.291 63.405 62.100 0.025 0.000 1.134 48 T CB -0.698 68.184 68.868 0.024 0.000 0.884 48 T HN 1.895 nan 8.240 nan 0.000 0.479 49 G N -0.006 108.810 108.800 0.027 0.000 2.176 49 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.232 49 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.232 49 G C 0.067 174.980 174.900 0.022 0.000 0.986 49 G CA 0.102 45.216 45.100 0.024 0.000 0.643 49 G HN 0.839 nan 8.290 nan 0.000 0.522 50 K N -0.643 119.772 120.400 0.024 0.000 2.443 50 K HA 0.779 5.099 4.320 -0.000 0.000 0.251 50 K C -0.270 176.348 176.600 0.030 0.000 0.972 50 K CA -0.625 55.675 56.287 0.023 0.000 0.833 50 K CB 2.271 34.782 32.500 0.019 0.000 1.317 50 K HN 0.432 nan 8.250 nan 0.000 0.441 51 I N 1.185 121.772 120.570 0.028 0.000 2.307 51 I HA 0.239 4.409 4.170 -0.000 0.000 0.289 51 I C -0.065 176.076 176.117 0.040 0.000 1.021 51 I CA -0.663 60.661 61.300 0.040 0.000 1.224 51 I CB 0.856 38.875 38.000 0.032 0.000 1.376 51 I HN 0.586 nan 8.210 nan 0.000 0.470 52 c N 6.250 124.879 118.600 0.048 0.000 2.592 52 c HA -0.063 4.507 4.570 -0.000 0.000 0.408 52 c C 2.115 176.229 174.090 0.040 0.000 1.436 52 c CA -0.569 55.782 56.329 0.037 0.000 1.595 52 c CB -0.874 41.656 42.510 0.033 0.000 2.487 52 c HN 0.839 nan 8.230 nan 0.000 0.610 53 N N 3.003 121.718 118.700 0.025 0.000 2.588 53 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 53 N C 0.189 175.715 175.510 0.026 0.000 1.094 53 N CA 1.338 54.403 53.050 0.025 0.000 0.921 53 N CB -0.216 38.278 38.487 0.013 0.000 0.959 53 N HN 0.921 nan 8.380 nan 0.000 0.448 54 N N -1.369 117.336 118.700 0.008 0.000 3.348 54 N HA 0.246 4.986 4.740 -0.000 0.000 0.233 54 N C -3.203 172.239 175.510 -0.114 0.000 1.440 54 N CA -0.703 52.327 53.050 -0.034 0.000 0.887 54 N CB 1.631 40.104 38.487 -0.023 0.000 1.410 54 N HN -0.116 nan 8.380 nan 0.000 0.502 55 P HA -0.026 nan 4.420 nan 0.000 0.535 55 P C -1.469 175.712 177.300 -0.198 0.000 0.553 55 P CA 0.178 63.111 63.100 -0.278 0.000 2.509 55 P CB -0.220 31.175 31.700 -0.509 0.000 1.141 56 H N 0.673 119.806 119.070 0.104 0.000 2.767 56 H HA 0.306 4.862 4.556 -0.000 0.000 0.316 56 H C 0.619 176.000 175.328 0.088 0.000 1.059 56 H CA 0.033 56.161 56.048 0.134 0.000 1.461 56 H CB 0.378 30.279 29.762 0.232 0.000 1.475 56 H HN -0.154 nan 8.280 nan 0.000 0.531 57 R N 4.827 125.445 120.500 0.197 0.000 2.457 57 R HA 0.138 4.478 4.340 -0.000 0.000 0.335 57 R C 0.037 176.424 176.300 0.145 0.000 1.003 57 R CA -0.143 56.037 56.100 0.134 0.000 1.003 57 R CB -1.880 28.488 30.300 0.113 0.000 0.950 57 R HN 0.573 nan 8.270 nan 0.000 0.428 58 I N 4.241 124.871 120.570 0.100 0.000 2.498 58 I HA 0.461 4.631 4.170 -0.000 0.000 0.301 58 I C -0.293 175.834 176.117 0.016 0.000 0.984 58 I CA -1.108 60.224 61.300 0.054 0.000 1.204 58 I CB 1.843 39.861 38.000 0.028 0.000 1.362 58 I HN 0.445 nan 8.210 nan 0.000 0.471 59 L N 5.646 126.826 121.223 -0.071 0.000 2.441 59 L HA 0.415 4.755 4.340 -0.000 0.000 0.270 59 L C -0.798 175.823 176.870 -0.416 0.000 0.973 59 L CA -0.269 54.469 54.840 -0.170 0.000 0.842 59 L CB 1.433 43.425 42.059 -0.111 0.000 1.239 59 L HN 0.421 nan 8.230 nan 0.000 0.406 60 D N 3.100 123.354 120.400 -0.244 0.000 2.325 60 D HA 0.241 4.881 4.640 -0.000 0.000 0.251 60 D C 1.155 177.319 176.300 -0.227 0.000 1.196 60 D CA 0.571 54.428 54.000 -0.238 0.000 0.866 60 D CB 2.012 42.755 40.800 -0.094 0.000 1.101 60 D HN 0.787 nan 8.370 nan 0.000 0.476 61 G N 3.816 112.342 108.800 -0.456 0.000 2.448 61 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 61 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 61 G C 1.223 176.128 174.900 0.008 0.000 1.127 61 G CA 0.894 45.767 45.100 -0.379 0.000 0.766 61 G HN 0.788 nan 8.290 nan 0.000 0.552 62 R N -1.413 119.099 120.500 0.019 0.000 1.732 62 R HA -0.341 3.999 4.340 -0.000 0.000 0.091 62 R C 1.571 177.911 176.300 0.066 0.000 0.933 62 R CA 2.096 58.240 56.100 0.073 0.000 1.938 62 R CB -1.550 28.837 30.300 0.144 0.000 0.530 62 R HN 0.880 nan 8.270 nan 0.000 0.704 63 A N -1.691 121.155 122.820 0.044 0.000 2.584 63 A HA 0.336 4.656 4.320 -0.000 0.000 0.220 63 A C -0.469 177.008 177.584 -0.179 0.000 1.182 63 A CA -0.075 51.946 52.037 -0.026 0.000 1.043 63 A CB 0.619 19.648 19.000 0.049 0.000 1.164 63 A HN 0.242 nan 8.150 nan 0.000 0.506 64 c N 1.327 119.813 118.600 -0.191 0.000 2.379 64 c HA 0.691 5.261 4.570 -0.000 0.000 0.323 64 c C 0.679 174.615 174.090 -0.258 0.000 1.262 64 c CA -0.344 55.782 56.329 -0.338 0.000 1.581 64 c CB 0.939 43.132 42.510 -0.529 0.000 2.221 64 c HN 0.491 nan 8.230 nan 0.000 0.497 65 T N 2.951 117.378 114.554 -0.212 0.000 2.899 65 T HA 0.111 4.461 4.350 -0.000 0.000 0.295 65 T C 1.259 175.721 174.700 -0.398 0.000 1.033 65 T CA -0.290 61.700 62.100 -0.183 0.000 1.084 65 T CB 0.645 69.475 68.868 -0.064 0.000 0.979 65 T HN 0.604 nan 8.240 nan 0.000 0.532 66 L N 3.151 123.964 121.223 -0.683 0.000 2.081 66 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 66 L C 2.009 178.481 176.870 -0.664 0.000 1.080 66 L CA 1.710 55.871 54.840 -1.132 0.000 0.754 66 L CB -0.719 40.505 42.059 -1.392 0.000 0.893 66 L HN 0.618 nan 8.230 nan 0.000 0.433 67 I N -0.190 120.092 120.570 -0.479 0.000 2.113 67 I HA -0.275 3.895 4.170 -0.000 0.000 0.238 67 I C 2.240 178.163 176.117 -0.324 0.000 1.070 67 I CA 1.469 62.528 61.300 -0.402 0.000 1.332 67 I CB -1.491 36.328 38.000 -0.300 0.000 1.044 67 I HN 0.300 nan 8.210 nan 0.000 0.402 68 D N 0.979 121.248 120.400 -0.219 0.000 2.158 68 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 68 D C 2.201 178.388 176.300 -0.188 0.000 0.995 68 D CA 1.590 55.489 54.000 -0.169 0.000 0.846 68 D CB -0.014 40.721 40.800 -0.107 0.000 0.941 68 D HN 0.354 nan 8.370 nan 0.000 0.456 69 A N 0.508 123.168 122.820 -0.268 0.000 1.898 69 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 69 A C 2.198 179.722 177.584 -0.100 0.000 1.181 69 A CA 0.919 52.840 52.037 -0.193 0.000 0.620 69 A CB -0.636 18.164 19.000 -0.333 0.000 0.819 69 A HN 0.267 nan 8.150 nan 0.000 0.442 70 L N -0.295 120.807 121.223 -0.202 0.000 2.017 70 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 70 L C 2.236 179.051 176.870 -0.092 0.000 1.073 70 L CA 1.677 56.411 54.840 -0.177 0.000 0.745 70 L CB -0.328 41.478 42.059 -0.421 0.000 0.894 70 L HN 0.378 nan 8.230 nan 0.000 0.432 71 L N -0.365 120.729 121.223 -0.216 0.000 2.093 71 L HA 0.059 4.399 4.340 -0.000 0.000 0.208 71 L C 1.454 178.314 176.870 -0.016 0.000 1.085 71 L CA 0.926 55.611 54.840 -0.260 0.000 0.755 71 L CB -0.704 40.944 42.059 -0.687 0.000 0.904 71 L HN 0.622 nan 8.230 nan 0.000 0.435 72 G N 0.220 109.045 108.800 0.042 0.000 2.237 72 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.153 72 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.153 72 G C -0.168 174.781 174.900 0.082 0.000 1.039 72 G CA -0.225 44.910 45.100 0.059 0.000 0.719 72 G HN 0.260 nan 8.290 nan 0.000 0.491 73 D N 0.290 120.745 120.400 0.092 0.000 2.493 73 D HA 0.176 4.816 4.640 -0.000 0.000 0.240 73 D C -0.005 176.303 176.300 0.013 0.000 1.142 73 D CA -1.188 52.819 54.000 0.013 0.000 0.872 73 D CB 1.141 41.968 40.800 0.044 0.000 1.173 73 D HN 0.124 nan 8.370 nan 0.000 0.467 74 P HA -0.238 nan 4.420 nan 0.000 0.218 74 P C 1.107 178.493 177.300 0.143 0.000 1.165 74 P CA 1.976 65.128 63.100 0.087 0.000 0.922 74 P CB -0.231 31.524 31.700 0.091 0.000 0.794 75 H N -1.950 117.153 119.070 0.056 0.000 2.567 75 H HA 0.062 4.618 4.556 -0.000 0.000 0.276 75 H C 0.571 175.957 175.328 0.098 0.000 1.016 75 H CA 0.775 56.868 56.048 0.074 0.000 1.186 75 H CB -1.291 28.531 29.762 0.101 0.000 1.351 75 H HN 0.179 nan 8.280 nan 0.000 0.605 76 c N 0.642 119.157 118.600 -0.142 0.000 3.104 76 c HA 0.147 4.717 4.570 -0.000 0.000 0.284 76 c C 1.662 175.853 174.090 0.168 0.000 1.326 76 c CA -0.564 55.769 56.329 0.007 0.000 1.725 76 c CB 0.018 42.411 42.510 -0.195 0.000 2.156 76 c HN 0.471 nan 8.230 nan 0.000 0.638 77 D N 1.529 121.976 120.400 0.079 0.000 2.310 77 D HA -0.075 4.565 4.640 -0.000 0.000 0.212 77 D C 1.952 178.278 176.300 0.043 0.000 0.965 77 D CA 1.006 55.045 54.000 0.065 0.000 0.879 77 D CB 0.228 41.050 40.800 0.037 0.000 0.921 77 D HN 0.349 nan 8.370 nan 0.000 0.510 78 V N 0.290 120.192 119.914 -0.020 0.000 2.759 78 V HA -0.185 3.935 4.120 -0.000 0.000 0.256 78 V C 1.671 177.618 176.094 -0.244 0.000 1.080 78 V CA 1.054 63.245 62.300 -0.181 0.000 1.101 78 V CB -0.738 30.875 31.823 -0.350 0.000 0.698 78 V HN 0.106 nan 8.190 nan 0.000 0.477 79 F N -0.441 119.517 119.950 0.013 0.000 2.797 79 F HA 0.187 4.714 4.527 -0.000 0.000 0.302 79 F C 1.399 177.253 175.800 0.090 0.000 1.130 79 F CA -0.220 57.814 58.000 0.057 0.000 1.387 79 F CB -0.403 38.638 39.000 0.068 0.000 1.107 79 F HN 0.151 nan 8.300 nan 0.000 0.577 80 Q N 1.428 121.339 119.800 0.184 0.000 2.264 80 Q HA -0.110 4.230 4.340 -0.000 0.000 0.296 80 Q C 0.193 176.282 176.000 0.149 0.000 1.103 80 Q CA 0.405 56.294 55.803 0.144 0.000 0.967 80 Q CB -0.114 28.666 28.738 0.071 0.000 1.090 80 Q HN 0.314 nan 8.270 nan 0.000 0.379 81 N N 0.708 119.524 118.700 0.193 0.000 2.850 81 N HA -0.179 4.561 4.740 -0.000 0.000 0.249 81 N C -0.641 174.983 175.510 0.191 0.000 1.060 81 N CA 1.136 54.290 53.050 0.174 0.000 0.825 81 N CB -0.736 37.812 38.487 0.102 0.000 1.132 81 N HN 0.600 nan 8.380 nan 0.000 0.564 82 E N 0.308 120.675 120.200 0.278 0.000 2.409 82 E HA 0.443 4.793 4.350 -0.000 0.000 0.257 82 E C 0.632 177.451 176.600 0.364 0.000 1.150 82 E CA 0.407 56.995 56.400 0.314 0.000 0.942 82 E CB 0.597 30.552 29.700 0.425 0.000 0.979 82 E HN 0.323 nan 8.360 nan 0.000 0.447 83 T N -0.738 113.997 114.554 0.301 0.000 2.888 83 T HA 0.822 5.172 4.350 -0.000 0.000 0.288 83 T C -1.220 173.671 174.700 0.318 0.000 1.063 83 T CA -0.806 61.356 62.100 0.103 0.000 1.010 83 T CB 0.880 69.719 68.868 -0.049 0.000 1.214 83 T HN 0.677 nan 8.240 nan 0.000 0.533 84 W N -0.521 120.825 121.300 0.078 0.000 3.499 84 W HA 0.603 5.263 4.660 -0.000 0.000 0.288 84 W C -0.908 175.634 176.519 0.037 0.000 1.258 84 W CA -0.774 56.608 57.345 0.061 0.000 1.203 84 W CB 0.127 29.648 29.460 0.102 0.000 1.325 84 W HN 0.497 nan 8.180 nan 0.000 0.564 85 D N 0.922 121.432 120.400 0.184 0.000 2.216 85 D HA 0.069 4.709 4.640 -0.000 0.000 0.208 85 D C -0.301 176.051 176.300 0.087 0.000 0.960 85 D CA 1.113 55.185 54.000 0.120 0.000 0.861 85 D CB 0.731 41.652 40.800 0.202 0.000 0.985 85 D HN 0.270 nan 8.370 nan 0.000 0.493 86 L N 0.626 121.927 121.223 0.129 0.000 2.491 86 L HA 0.329 4.669 4.340 -0.000 0.000 0.267 86 L C -1.478 175.390 176.870 -0.002 0.000 0.971 86 L CA -0.683 54.106 54.840 -0.085 0.000 0.857 86 L CB 1.431 43.190 42.059 -0.501 0.000 1.226 86 L HN -0.268 nan 8.230 nan 0.000 0.408 87 F N 4.967 124.743 119.950 -0.290 0.000 2.412 87 F HA 0.598 5.125 4.527 -0.000 0.000 0.348 87 F C -0.184 175.423 175.800 -0.322 0.000 1.102 87 F CA 0.014 57.697 58.000 -0.527 0.000 1.196 87 F CB 1.135 39.499 39.000 -1.061 0.000 1.144 87 F HN 0.230 nan 8.300 nan 0.000 0.541 88 V N 5.777 125.477 119.914 -0.357 0.000 2.304 88 V HA 0.213 4.333 4.120 -0.000 0.000 0.278 88 V C -0.457 175.568 176.094 -0.114 0.000 1.018 88 V CA -0.823 61.377 62.300 -0.167 0.000 0.814 88 V CB 1.080 32.799 31.823 -0.173 0.000 1.021 88 V HN 0.675 nan 8.190 nan 0.000 0.440 89 E N 4.692 124.912 120.200 0.033 0.000 2.229 89 E HA 0.389 4.739 4.350 -0.000 0.000 0.283 89 E C -0.343 176.254 176.600 -0.005 0.000 1.030 89 E CA -0.707 55.718 56.400 0.041 0.000 0.836 89 E CB 1.158 30.882 29.700 0.040 0.000 1.068 89 E HN 0.430 nan 8.360 nan 0.000 0.401 90 R N 1.153 121.647 120.500 -0.009 0.000 2.459 90 R HA 0.081 4.421 4.340 -0.000 0.000 0.281 90 R C 1.151 177.460 176.300 0.014 0.000 1.050 90 R CA -0.187 55.913 56.100 0.000 0.000 1.055 90 R CB 1.033 31.337 30.300 0.007 0.000 1.045 90 R HN 0.638 nan 8.270 nan 0.000 0.495 91 S N 0.433 116.143 115.700 0.017 0.000 2.474 91 S HA -0.144 4.326 4.470 -0.000 0.000 0.235 91 S C 0.938 175.563 174.600 0.042 0.000 0.997 91 S CA 1.138 59.351 58.200 0.021 0.000 0.949 91 S CB -0.378 62.831 63.200 0.016 0.000 0.766 91 S HN 0.795 nan 8.310 nan 0.000 0.517 92 N N 0.824 119.560 118.700 0.060 0.000 2.235 92 N HA 0.382 5.122 4.740 -0.000 0.000 0.209 92 N C 0.399 176.005 175.510 0.160 0.000 1.122 92 N CA -0.093 53.018 53.050 0.102 0.000 0.845 92 N CB 0.223 38.769 38.487 0.098 0.000 1.004 92 N HN 0.412 nan 8.380 nan 0.000 0.499 93 A N 1.142 124.021 122.820 0.097 0.000 2.466 93 A HA 0.415 4.735 4.320 -0.000 0.000 0.238 93 A C -0.325 177.336 177.584 0.129 0.000 1.074 93 A CA -0.139 51.928 52.037 0.049 0.000 0.774 93 A CB -0.080 18.909 19.000 -0.019 0.000 1.015 93 A HN 0.512 nan 8.150 nan 0.000 0.498 94 F N -1.144 118.892 119.950 0.143 0.000 2.643 94 F HA 0.776 5.303 4.527 0.000 0.000 0.314 94 F C -0.357 175.573 175.800 0.216 0.000 1.096 94 F CA -1.013 57.061 58.000 0.123 0.000 0.953 94 F CB 1.142 40.176 39.000 0.057 0.000 1.345 94 F HN 0.311 nan 8.300 nan 0.000 0.468 95 S N 0.400 116.330 115.700 0.384 0.000 2.472 95 S HA 0.386 4.856 4.470 -0.000 0.000 0.303 95 S C -0.218 174.648 174.600 0.442 0.000 1.099 95 S CA -0.632 57.793 58.200 0.376 0.000 1.077 95 S CB 0.969 64.384 63.200 0.358 0.000 1.031 95 S HN 0.886 nan 8.310 nan 0.000 0.487 96 N N 0.006 118.940 118.700 0.391 0.000 2.307 96 N HA 0.194 4.934 4.740 -0.000 0.000 0.248 96 N C 0.045 175.642 175.510 0.146 0.000 1.322 96 N CA -0.362 52.839 53.050 0.252 0.000 0.861 96 N CB 0.298 38.920 38.487 0.225 0.000 1.303 96 N HN 0.442 nan 8.380 nan 0.000 0.498 97 c N -0.354 118.318 118.600 0.120 0.000 2.566 97 c HA 0.466 5.036 4.570 -0.000 0.000 0.401 97 c C 0.135 174.250 174.090 0.042 0.000 2.232 97 c CA -0.583 55.699 56.329 -0.079 0.000 1.808 97 c CB 0.241 42.437 42.510 -0.524 0.000 2.068 97 c HN 0.458 nan 8.230 nan 0.000 0.441 98 Y N 2.347 122.549 120.300 -0.164 0.000 2.620 98 Y HA 0.245 4.795 4.550 -0.000 0.000 0.330 98 Y C -1.891 174.213 175.900 0.339 0.000 1.186 98 Y CA -0.845 57.337 58.100 0.136 0.000 1.467 98 Y CB 0.203 38.810 38.460 0.245 0.000 1.262 98 Y HN 0.492 nan 8.280 nan 0.000 0.550 99 P HA -0.046 nan 4.420 nan 0.000 0.256 99 P C -1.641 175.861 177.300 0.337 0.000 1.173 99 P CA 0.955 64.082 63.100 0.045 0.000 0.768 99 P CB -0.311 31.276 31.700 -0.189 0.000 0.758 100 Y N 1.017 121.431 120.300 0.190 0.000 2.633 100 Y HA 0.809 5.359 4.550 -0.000 0.000 0.339 100 Y C -0.925 175.024 175.900 0.082 0.000 1.045 100 Y CA -1.594 56.606 58.100 0.166 0.000 1.098 100 Y CB 1.836 40.357 38.460 0.101 0.000 1.296 100 Y HN 0.241 nan 8.280 nan 0.000 0.494 101 D N 0.917 121.372 120.400 0.092 0.000 2.990 101 D HA 0.472 5.112 4.640 -0.000 0.000 0.227 101 D C -1.836 174.487 176.300 0.039 0.000 1.249 101 D CA -0.331 53.649 54.000 -0.032 0.000 0.891 101 D CB 1.571 42.370 40.800 -0.001 0.000 1.647 101 D HN 0.710 nan 8.370 nan 0.000 0.530 102 I N 3.872 124.471 120.570 0.049 0.000 2.382 102 I HA 0.358 4.528 4.170 -0.000 0.000 0.285 102 I C -2.209 173.898 176.117 -0.017 0.000 1.007 102 I CA -2.127 59.177 61.300 0.007 0.000 1.142 102 I CB 1.791 39.876 38.000 0.143 0.000 1.289 102 I HN 0.203 nan 8.210 nan 0.000 0.453 103 P HA 0.086 nan 4.420 nan 0.000 0.271 103 P C -0.142 177.166 177.300 0.013 0.000 1.233 103 P CA 0.319 63.374 63.100 -0.074 0.000 0.764 103 P CB 0.351 31.976 31.700 -0.125 0.000 0.825 104 D N 1.923 122.372 120.400 0.082 0.000 2.809 104 D HA -0.246 4.394 4.640 -0.000 0.000 0.234 104 D C 0.416 176.832 176.300 0.193 0.000 1.111 104 D CA 0.434 54.526 54.000 0.154 0.000 0.726 104 D CB -1.521 39.402 40.800 0.205 0.000 1.089 104 D HN 0.453 nan 8.370 nan 0.000 0.436 105 Y N 0.359 120.669 120.300 0.016 0.000 2.102 105 Y HA -0.241 4.309 4.550 -0.000 0.000 0.280 105 Y C 2.254 178.110 175.900 -0.073 0.000 1.178 105 Y CA 3.333 61.413 58.100 -0.033 0.000 1.146 105 Y CB -0.492 37.936 38.460 -0.052 0.000 0.968 105 Y HN 0.240 nan 8.280 nan 0.000 0.504 106 A N -0.498 122.439 122.820 0.194 0.000 1.873 106 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 106 A C 2.430 179.972 177.584 -0.071 0.000 1.193 106 A CA 2.444 54.527 52.037 0.077 0.000 0.629 106 A CB -1.413 17.636 19.000 0.080 0.000 0.826 106 A HN 0.538 nan 8.150 nan 0.000 0.447 107 S N -0.872 114.804 115.700 -0.040 0.000 2.370 107 S HA -0.139 4.331 4.470 -0.000 0.000 0.226 107 S C 1.871 176.251 174.600 -0.367 0.000 1.033 107 S CA 1.484 59.627 58.200 -0.095 0.000 1.011 107 S CB -0.415 62.847 63.200 0.103 0.000 0.852 107 S HN 0.476 nan 8.310 nan 0.000 0.457 108 L N 2.002 122.879 121.223 -0.577 0.000 2.027 108 L HA 0.048 4.388 4.340 -0.000 0.000 0.206 108 L C 2.310 178.796 176.870 -0.640 0.000 1.074 108 L CA 1.712 56.008 54.840 -0.907 0.000 0.745 108 L CB -0.588 40.940 42.059 -0.885 0.000 0.898 108 L HN 0.140 nan 8.230 nan 0.000 0.433 109 R N -1.247 118.903 120.500 -0.584 0.000 2.127 109 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 109 R C 2.459 178.556 176.300 -0.339 0.000 1.134 109 R CA 1.566 57.363 56.100 -0.504 0.000 0.975 109 R CB -0.299 29.728 30.300 -0.455 0.000 0.865 109 R HN 0.539 nan 8.270 nan 0.000 0.447 110 S N 0.550 116.086 115.700 -0.272 0.000 2.345 110 S HA -0.113 4.357 4.470 -0.000 0.000 0.219 110 S C 1.992 176.494 174.600 -0.164 0.000 1.031 110 S CA 1.256 59.353 58.200 -0.172 0.000 0.984 110 S CB -0.232 62.897 63.200 -0.119 0.000 0.874 110 S HN 0.405 nan 8.310 nan 0.000 0.451 111 L N 0.829 121.911 121.223 -0.235 0.000 2.201 111 L HA 0.165 4.505 4.340 -0.000 0.000 0.212 111 L C 2.152 178.910 176.870 -0.187 0.000 1.105 111 L CA 1.263 55.979 54.840 -0.206 0.000 0.775 111 L CB -1.105 40.788 42.059 -0.277 0.000 0.913 111 L HN 0.179 nan 8.230 nan 0.000 0.440 112 V N 0.747 120.516 119.914 -0.242 0.000 2.346 112 V HA -0.121 3.999 4.120 -0.000 0.000 0.244 112 V C 3.048 179.196 176.094 0.091 0.000 1.037 112 V CA 1.555 63.767 62.300 -0.147 0.000 1.029 112 V CB -1.144 30.518 31.823 -0.269 0.000 0.663 112 V HN 0.589 nan 8.190 nan 0.000 0.454 113 A N -0.544 122.303 122.820 0.046 0.000 1.917 113 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 113 A C 2.546 180.302 177.584 0.287 0.000 1.182 113 A CA 2.509 54.691 52.037 0.241 0.000 0.633 113 A CB -0.875 18.121 19.000 -0.007 0.000 0.819 113 A HN 0.469 nan 8.150 nan 0.000 0.448 114 S N -1.102 114.649 115.700 0.084 0.000 2.402 114 S HA -0.112 4.358 4.470 -0.000 0.000 0.229 114 S C 2.284 176.870 174.600 -0.023 0.000 1.021 114 S CA 1.608 59.832 58.200 0.039 0.000 0.974 114 S CB -0.377 62.822 63.200 -0.001 0.000 0.800 114 S HN 0.630 nan 8.310 nan 0.000 0.484 115 S N -0.004 115.664 115.700 -0.053 0.000 2.383 115 S HA 0.086 4.556 4.470 -0.000 0.000 0.227 115 S C 1.424 175.831 174.600 -0.321 0.000 1.026 115 S CA 1.465 59.586 58.200 -0.133 0.000 0.981 115 S CB -0.803 62.334 63.200 -0.104 0.000 0.818 115 S HN 1.116 nan 8.310 nan 0.000 0.472 116 G N 0.425 108.901 108.800 -0.541 0.000 2.198 116 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.260 116 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.260 116 G C 0.190 174.061 174.900 -1.715 0.000 1.025 116 G CA 0.778 44.948 45.100 -1.550 0.000 0.769 116 G HN 0.938 nan 8.290 nan 0.000 0.507 117 T N -1.539 112.343 114.554 -1.119 0.000 2.885 117 T HA 0.578 4.928 4.350 -0.000 0.000 0.322 117 T C 0.342 175.068 174.700 0.044 0.000 1.387 117 T CA -0.545 61.277 62.100 -0.463 0.000 1.041 117 T CB 1.177 69.904 68.868 -0.235 0.000 1.287 117 T HN 0.401 nan 8.240 nan 0.000 0.491 118 L N 1.996 123.380 121.223 0.269 0.000 2.959 118 L HA 0.282 4.622 4.340 -0.000 0.000 0.259 118 L C 0.672 177.779 176.870 0.395 0.000 1.185 118 L CA -0.292 54.828 54.840 0.466 0.000 0.998 118 L CB 0.668 43.016 42.059 0.482 0.000 1.337 118 L HN 0.573 nan 8.230 nan 0.000 0.555 119 E N 1.028 121.355 120.200 0.212 0.000 2.752 119 E HA -0.127 4.223 4.350 -0.000 0.000 0.241 119 E C -0.649 175.973 176.600 0.036 0.000 1.016 119 E CA 0.407 56.864 56.400 0.095 0.000 0.952 119 E CB -0.209 29.496 29.700 0.009 0.000 0.921 119 E HN 0.158 nan 8.360 nan 0.000 0.515 120 F N 2.861 122.662 119.950 -0.248 0.000 2.436 120 F HA 0.511 5.038 4.527 -0.000 0.000 0.340 120 F C -0.053 175.500 175.800 -0.412 0.000 1.113 120 F CA -1.184 56.496 58.000 -0.533 0.000 1.022 120 F CB 0.922 39.539 39.000 -0.637 0.000 1.128 120 F HN 0.378 nan 8.300 nan 0.000 0.466 121 I N 5.884 125.720 120.570 -1.224 0.000 2.405 121 I HA 0.141 4.311 4.170 -0.000 0.000 0.280 121 I C -0.180 175.306 176.117 -1.052 0.000 1.027 121 I CA -0.420 60.288 61.300 -0.986 0.000 1.161 121 I CB 1.269 38.602 38.000 -1.111 0.000 1.300 121 I HN 0.533 nan 8.210 nan 0.000 0.463 122 T N 5.632 119.881 114.554 -0.508 0.000 2.928 122 T HA 0.094 4.444 4.350 -0.000 0.000 0.305 122 T C 0.108 174.721 174.700 -0.145 0.000 1.035 122 T CA 0.247 62.227 62.100 -0.200 0.000 1.145 122 T CB 0.509 69.422 68.868 0.076 0.000 0.963 122 T HN 0.503 nan 8.240 nan 0.000 0.545 123 E N 0.524 120.714 120.200 -0.016 0.000 2.263 123 E HA 0.497 4.847 4.350 -0.000 0.000 0.264 123 E C 0.369 177.051 176.600 0.136 0.000 0.923 123 E CA -1.068 55.370 56.400 0.064 0.000 0.802 123 E CB 1.354 31.138 29.700 0.141 0.000 1.228 123 E HN 0.700 nan 8.360 nan 0.000 0.417 124 G N 2.382 111.236 108.800 0.089 0.000 2.272 124 G HA2 0.088 4.048 3.960 -0.000 0.000 0.274 124 G HA3 0.088 4.048 3.960 -0.000 0.000 0.274 124 G C 0.121 175.023 174.900 0.003 0.000 1.136 124 G CA 0.065 45.207 45.100 0.071 0.000 1.098 124 G HN 0.403 nan 8.290 nan 0.000 0.425 125 F N 1.732 121.663 119.950 -0.031 0.000 2.579 125 F HA 0.499 5.026 4.527 -0.000 0.000 0.311 125 F C 0.946 176.474 175.800 -0.453 0.000 1.272 125 F CA 0.225 58.105 58.000 -0.200 0.000 1.335 125 F CB 0.759 39.812 39.000 0.089 0.000 1.191 125 F HN 0.454 nan 8.300 nan 0.000 0.575 126 T N -3.488 110.129 114.554 -1.561 0.000 4.645 126 T HA 0.115 4.465 4.350 -0.000 0.000 0.311 126 T C -1.379 172.784 174.700 -0.895 0.000 0.904 126 T CA -0.460 60.849 62.100 -1.318 0.000 0.907 126 T CB -1.715 66.651 68.868 -0.837 0.000 0.959 126 T HN 0.696 nan 8.240 nan 0.000 0.417 127 W N 2.564 123.926 121.300 0.103 0.000 1.864 127 W HA 0.462 5.122 4.660 0.000 0.000 0.425 127 W C 0.002 176.624 176.519 0.171 0.000 0.791 127 W CA -0.893 56.581 57.345 0.216 0.000 1.650 127 W CB -0.069 29.585 29.460 0.324 0.000 1.791 127 W HN 0.092 nan 8.180 nan 0.000 0.266 128 T N 1.722 116.361 114.554 0.141 0.000 2.729 128 T HA 0.447 4.797 4.350 -0.000 0.000 0.296 128 T C 1.060 175.801 174.700 0.070 0.000 0.928 128 T CA 0.472 62.628 62.100 0.094 0.000 1.045 128 T CB 1.050 69.918 68.868 0.000 0.000 0.902 128 T HN 0.720 nan 8.240 nan 0.000 0.500 129 G N 2.177 111.015 108.800 0.063 0.000 2.211 129 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.201 129 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.201 129 G C 0.052 174.929 174.900 -0.039 0.000 0.997 129 G CA -0.114 44.992 45.100 0.011 0.000 0.652 129 G HN 1.146 nan 8.290 nan 0.000 0.500 130 V N -2.203 117.697 119.914 -0.024 0.000 3.126 130 V HA 0.940 5.060 4.120 -0.000 0.000 0.314 130 V C 0.131 176.210 176.094 -0.025 0.000 1.138 130 V CA -0.424 61.817 62.300 -0.097 0.000 1.034 130 V CB 1.606 33.284 31.823 -0.241 0.000 1.075 130 V HN 0.318 nan 8.190 nan 0.000 0.442 131 T N 2.688 117.208 114.554 -0.056 0.000 2.806 131 T HA 0.499 4.849 4.350 -0.000 0.000 0.290 131 T C -0.193 174.464 174.700 -0.072 0.000 0.966 131 T CA -0.226 61.839 62.100 -0.059 0.000 1.060 131 T CB 0.979 69.794 68.868 -0.089 0.000 0.927 131 T HN 0.826 nan 8.240 nan 0.000 0.485 132 Q N 1.568 121.328 119.800 -0.067 0.000 2.293 132 Q HA 0.407 4.747 4.340 -0.000 0.000 0.216 132 Q C -0.019 175.926 176.000 -0.091 0.000 1.003 132 Q CA -1.228 54.528 55.803 -0.078 0.000 0.995 132 Q CB 0.627 29.326 28.738 -0.065 0.000 1.172 132 Q HN 0.617 nan 8.270 nan 0.000 0.518 133 N N -0.267 118.396 118.700 -0.063 0.000 2.714 133 N HA -0.149 4.591 4.740 -0.000 0.000 0.253 133 N C -0.433 175.011 175.510 -0.110 0.000 1.024 133 N CA 0.854 53.878 53.050 -0.043 0.000 0.726 133 N CB -1.636 36.833 38.487 -0.031 0.000 0.908 133 N HN 0.791 nan 8.380 nan 0.000 0.542 134 G N -0.964 107.725 108.800 -0.184 0.000 2.527 134 G HA2 0.549 4.509 3.960 -0.000 0.000 0.248 134 G HA3 0.549 4.509 3.960 -0.000 0.000 0.248 134 G C 0.599 175.315 174.900 -0.308 0.000 1.231 134 G CA 0.310 45.157 45.100 -0.421 0.000 0.838 134 G HN 0.490 nan 8.290 nan 0.000 0.570 135 G N -1.463 107.140 108.800 -0.329 0.000 2.725 135 G HA2 0.629 4.589 3.960 -0.000 0.000 0.288 135 G HA3 0.629 4.589 3.960 -0.000 0.000 0.288 135 G C -1.216 173.665 174.900 -0.032 0.000 1.399 135 G CA -0.031 45.035 45.100 -0.056 0.000 0.859 135 G HN 1.058 nan 8.290 nan 0.000 0.479 136 S N -1.819 113.983 115.700 0.171 0.000 2.564 136 S HA 0.524 4.994 4.470 -0.000 0.000 0.274 136 S C 1.291 175.984 174.600 0.155 0.000 1.124 136 S CA 0.454 58.784 58.200 0.216 0.000 0.869 136 S CB 1.638 65.167 63.200 0.548 0.000 1.105 136 S HN 1.471 nan 8.310 nan 0.000 0.472 137 S N 2.484 118.248 115.700 0.105 0.000 2.481 137 S HA 0.062 4.532 4.470 -0.000 0.000 0.231 137 S C 1.699 176.345 174.600 0.077 0.000 0.996 137 S CA 0.777 59.016 58.200 0.065 0.000 0.942 137 S CB -0.469 62.749 63.200 0.031 0.000 0.768 137 S HN 0.999 nan 8.310 nan 0.000 0.520 138 A N -0.282 122.608 122.820 0.116 0.000 2.168 138 A HA 0.199 4.519 4.320 -0.000 0.000 0.215 138 A C 1.655 179.299 177.584 0.100 0.000 1.152 138 A CA 0.733 52.822 52.037 0.088 0.000 0.716 138 A CB -0.848 18.182 19.000 0.051 0.000 0.794 138 A HN 0.677 nan 8.150 nan 0.000 0.465 139 c N 1.255 119.930 118.600 0.124 0.000 2.751 139 c HA 0.312 4.882 4.570 -0.000 0.000 0.248 139 c C 0.035 174.159 174.090 0.056 0.000 1.710 139 c CA -1.116 55.248 56.329 0.059 0.000 1.676 139 c CB -1.469 41.052 42.510 0.020 0.000 3.106 139 c HN 0.311 nan 8.230 nan 0.000 0.502 140 K N 1.826 122.260 120.400 0.057 0.000 2.513 140 K HA -0.123 4.197 4.320 -0.000 0.000 0.275 140 K C 0.247 176.874 176.600 0.045 0.000 1.025 140 K CA 0.832 57.148 56.287 0.047 0.000 1.125 140 K CB 0.193 32.715 32.500 0.037 0.000 0.843 140 K HN 0.607 nan 8.250 nan 0.000 0.486 141 R N 2.021 122.546 120.500 0.043 0.000 2.664 141 R HA 0.240 4.580 4.340 -0.000 0.000 0.281 141 R C 0.534 176.855 176.300 0.035 0.000 1.383 141 R CA 0.558 56.683 56.100 0.042 0.000 1.563 141 R CB -0.011 30.315 30.300 0.043 0.000 1.131 141 R HN 0.901 nan 8.270 nan 0.000 0.599 142 G N 3.539 112.360 108.800 0.035 0.000 2.596 142 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.258 142 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.258 142 G C -1.717 173.197 174.900 0.023 0.000 1.207 142 G CA -0.110 45.007 45.100 0.028 0.000 0.954 142 G HN 0.496 nan 8.290 nan 0.000 0.551 143 P HA 0.472 nan 4.420 nan 0.000 0.226 143 P C 1.129 178.437 177.300 0.014 0.000 1.160 143 P CA 1.549 64.657 63.100 0.014 0.000 0.837 143 P CB -0.000 31.706 31.700 0.010 0.000 0.860 144 A N 0.542 123.370 122.820 0.014 0.000 2.346 144 A HA 0.203 4.523 4.320 -0.000 0.000 0.255 144 A C 0.285 177.881 177.584 0.021 0.000 1.113 144 A CA -0.037 52.007 52.037 0.012 0.000 0.798 144 A CB -0.403 18.603 19.000 0.010 0.000 1.073 144 A HN 0.023 nan 8.150 nan 0.000 0.502 145 N N -0.012 118.699 118.700 0.017 0.000 2.422 145 N HA 0.474 5.214 4.740 -0.000 0.000 0.266 145 N C 0.188 175.730 175.510 0.053 0.000 1.007 145 N CA 0.416 53.486 53.050 0.034 0.000 0.941 145 N CB 1.478 39.972 38.487 0.011 0.000 1.115 145 N HN 0.805 nan 8.380 nan 0.000 0.492 146 G N 0.341 109.193 108.800 0.086 0.000 2.938 146 G HA2 0.748 4.708 3.960 -0.000 0.000 0.258 146 G HA3 0.748 4.708 3.960 -0.000 0.000 0.258 146 G C -1.385 173.653 174.900 0.230 0.000 1.356 146 G CA -0.193 44.976 45.100 0.116 0.000 1.052 146 G HN 0.367 nan 8.290 nan 0.000 0.550 147 F N -2.167 117.763 119.950 -0.034 0.000 2.773 147 F HA 0.573 5.100 4.527 -0.000 0.000 0.314 147 F C -1.101 174.621 175.800 -0.131 0.000 1.160 147 F CA -1.857 56.092 58.000 -0.085 0.000 0.920 147 F CB 0.966 40.016 39.000 0.083 0.000 1.323 147 F HN 0.417 nan 8.300 nan 0.000 0.457 148 F N 2.464 122.061 119.950 -0.587 0.000 2.604 148 F HA 0.056 4.583 4.527 -0.000 0.000 0.393 148 F C 1.803 177.538 175.800 -0.108 0.000 1.043 148 F CA 1.035 58.808 58.000 -0.379 0.000 1.227 148 F CB 0.306 38.963 39.000 -0.572 0.000 1.016 148 F HN 0.512 nan 8.300 nan 0.000 0.556 149 S N 2.779 118.517 115.700 0.063 0.000 2.387 149 S HA -0.226 4.244 4.470 -0.000 0.000 0.230 149 S C 1.788 176.373 174.600 -0.024 0.000 1.035 149 S CA 0.992 59.207 58.200 0.025 0.000 1.014 149 S CB -0.129 63.056 63.200 -0.025 0.000 0.836 149 S HN 0.610 nan 8.310 nan 0.000 0.466 150 R N 1.136 121.583 120.500 -0.088 0.000 2.310 150 R HA 0.464 4.804 4.340 -0.000 0.000 0.202 150 R C -0.032 176.315 176.300 0.078 0.000 0.933 150 R CA 0.002 55.968 56.100 -0.224 0.000 1.054 150 R CB -0.835 29.212 30.300 -0.422 0.000 0.985 150 R HN 0.486 nan 8.270 nan 0.000 0.489 151 L N 0.427 121.770 121.223 0.200 0.000 2.341 151 L HA 0.420 4.760 4.340 -0.000 0.000 0.267 151 L C -0.116 176.997 176.870 0.406 0.000 1.009 151 L CA -0.992 54.047 54.840 0.332 0.000 0.819 151 L CB 1.786 44.068 42.059 0.372 0.000 1.323 151 L HN -0.175 nan 8.230 nan 0.000 0.425 152 N N 1.502 120.369 118.700 0.278 0.000 2.564 152 N HA 0.127 4.867 4.740 -0.000 0.000 0.248 152 N C -1.295 174.233 175.510 0.030 0.000 0.986 152 N CA -0.463 52.665 53.050 0.129 0.000 0.921 152 N CB 1.045 39.544 38.487 0.019 0.000 1.136 152 N HN 0.437 nan 8.380 nan 0.000 0.509 153 W N 6.800 127.918 121.300 -0.303 0.000 2.605 153 W HA 0.270 4.930 4.660 -0.000 0.000 0.327 153 W C -0.783 175.572 176.519 -0.273 0.000 1.332 153 W CA -0.715 56.359 57.345 -0.452 0.000 1.403 153 W CB -0.170 28.745 29.460 -0.910 0.000 1.452 153 W HN 0.380 nan 8.180 nan 0.000 0.503 154 L N 6.954 128.339 121.223 0.269 0.000 2.334 154 L HA 0.492 4.832 4.340 -0.000 0.000 0.277 154 L C 0.851 177.941 176.870 0.366 0.000 1.075 154 L CA -0.271 54.658 54.840 0.148 0.000 0.804 154 L CB 1.179 43.227 42.059 -0.017 0.000 1.174 154 L HN 0.319 nan 8.230 nan 0.000 0.438 155 T N -1.343 113.299 114.554 0.147 0.000 2.865 155 T HA 0.374 4.724 4.350 -0.000 0.000 0.294 155 T C -0.644 174.122 174.700 0.110 0.000 1.119 155 T CA -1.261 60.927 62.100 0.146 0.000 1.007 155 T CB 1.691 70.456 68.868 -0.172 0.000 1.225 155 T HN 0.586 nan 8.240 nan 0.000 0.515 156 K N 0.161 120.660 120.400 0.166 0.000 2.440 156 K HA 0.414 4.734 4.320 -0.000 0.000 0.270 156 K C -0.279 176.325 176.600 0.007 0.000 0.980 156 K CA -0.451 55.911 56.287 0.125 0.000 0.953 156 K CB 0.436 33.010 32.500 0.124 0.000 0.925 156 K HN 0.501 nan 8.250 nan 0.000 0.497 157 S N 1.747 117.447 115.700 0.000 0.000 2.647 157 S HA 0.164 4.634 4.470 -0.000 0.000 0.300 157 S C -1.249 173.353 174.600 0.004 0.000 1.129 157 S CA -0.549 57.644 58.200 -0.012 0.000 1.029 157 S CB 0.429 63.618 63.200 -0.018 0.000 1.007 157 S HN 0.775 nan 8.310 nan 0.000 0.484 158 E N 2.833 123.033 120.200 -0.001 0.000 2.291 158 E HA -0.153 4.197 4.350 -0.000 0.000 0.181 158 E C -0.006 176.604 176.600 0.016 0.000 1.480 158 E CA 0.729 57.132 56.400 0.005 0.000 0.674 158 E CB -1.695 28.009 29.700 0.007 0.000 1.108 158 E HN 0.860 nan 8.360 nan 0.000 0.357 159 S N -2.171 113.539 115.700 0.017 0.000 3.549 159 S HA -0.128 4.342 4.470 -0.000 0.000 0.366 159 S C -0.075 174.556 174.600 0.050 0.000 1.012 159 S CA 0.889 59.106 58.200 0.028 0.000 1.141 159 S CB -1.034 62.179 63.200 0.021 0.000 0.910 159 S HN 1.175 nan 8.310 nan 0.000 0.471 160 A N 0.255 123.117 122.820 0.071 0.000 2.582 160 A HA 0.632 4.952 4.320 -0.000 0.000 0.297 160 A C -1.391 176.287 177.584 0.157 0.000 1.059 160 A CA -0.653 51.447 52.037 0.105 0.000 0.705 160 A CB 0.931 19.975 19.000 0.072 0.000 1.279 160 A HN 0.610 nan 8.150 nan 0.000 0.404 161 Y N 3.245 123.589 120.300 0.074 0.000 2.464 161 Y HA 0.529 5.079 4.550 -0.000 0.000 0.326 161 Y C -2.474 173.478 175.900 0.086 0.000 0.969 161 Y CA -1.915 56.245 58.100 0.101 0.000 1.270 161 Y CB 1.477 40.028 38.460 0.151 0.000 1.103 161 Y HN 0.572 nan 8.280 nan 0.000 0.491 162 P HA -0.093 nan 4.420 nan 0.000 0.271 162 P C -0.816 176.604 177.300 0.201 0.000 1.233 162 P CA -0.044 63.121 63.100 0.109 0.000 0.795 162 P CB 0.621 32.334 31.700 0.023 0.000 0.936 163 V N 2.578 122.572 119.914 0.132 0.000 2.222 163 V HA 0.080 4.200 4.120 -0.000 0.000 0.253 163 V C 0.473 176.629 176.094 0.103 0.000 1.210 163 V CA -0.105 62.270 62.300 0.125 0.000 1.079 163 V CB -1.108 30.759 31.823 0.073 0.000 1.265 163 V HN 0.349 nan 8.190 nan 0.000 0.494 164 L N 3.601 124.915 121.223 0.151 0.000 2.559 164 L HA 0.058 4.398 4.340 -0.000 0.000 0.282 164 L C 0.598 177.521 176.870 0.089 0.000 1.232 164 L CA 0.643 55.573 54.840 0.150 0.000 0.885 164 L CB -0.113 42.103 42.059 0.262 0.000 1.131 164 L HN 0.643 nan 8.230 nan 0.000 0.498 165 N N 2.158 120.882 118.700 0.041 0.000 2.839 165 N HA 0.325 5.065 4.740 -0.000 0.000 0.230 165 N C -1.204 174.259 175.510 -0.080 0.000 1.388 165 N CA -0.463 52.577 53.050 -0.017 0.000 0.747 165 N CB 1.040 39.512 38.487 -0.024 0.000 1.411 165 N HN 0.346 nan 8.380 nan 0.000 0.556 166 V N -0.216 119.632 119.914 -0.110 0.000 2.581 166 V HA 0.808 4.928 4.120 -0.000 0.000 0.303 166 V C -0.121 175.867 176.094 -0.176 0.000 1.041 166 V CA -0.214 61.953 62.300 -0.221 0.000 0.907 166 V CB 1.684 33.240 31.823 -0.446 0.000 0.994 166 V HN 0.315 nan 8.190 nan 0.000 0.442 167 T N 6.305 120.751 114.554 -0.180 0.000 2.829 167 T HA 0.706 5.056 4.350 -0.000 0.000 0.280 167 T C -0.656 173.962 174.700 -0.136 0.000 0.999 167 T CA -0.175 61.840 62.100 -0.142 0.000 0.983 167 T CB 1.346 70.147 68.868 -0.113 0.000 0.968 167 T HN 0.885 nan 8.240 nan 0.000 0.446 168 M N 4.828 124.359 119.600 -0.116 0.000 2.060 168 M HA 0.442 4.922 4.480 -0.000 0.000 0.275 168 M C -2.896 173.386 176.300 -0.029 0.000 0.919 168 M CA -2.379 52.884 55.300 -0.062 0.000 0.970 168 M CB 1.506 34.079 32.600 -0.045 0.000 1.670 168 M HN 0.168 nan 8.290 nan 0.000 0.440 169 P HA 0.296 nan 4.420 nan 0.000 0.274 169 P C -1.087 176.211 177.300 -0.002 0.000 1.231 169 P CA -0.235 62.854 63.100 -0.019 0.000 0.790 169 P CB 0.534 32.215 31.700 -0.031 0.000 0.951 170 N N 1.726 120.406 118.700 -0.034 0.000 2.817 170 N HA 0.147 4.887 4.740 -0.000 0.000 0.234 170 N C -0.112 175.320 175.510 -0.131 0.000 1.066 170 N CA -0.069 52.924 53.050 -0.095 0.000 0.926 170 N CB -0.877 37.549 38.487 -0.102 0.000 1.176 170 N HN 0.228 nan 8.380 nan 0.000 0.506 171 N N 0.864 119.489 118.700 -0.124 0.000 2.336 171 N HA 0.042 4.782 4.740 -0.000 0.000 0.189 171 N C -0.443 174.969 175.510 -0.164 0.000 1.113 171 N CA -0.146 52.837 53.050 -0.112 0.000 0.858 171 N CB 0.499 38.949 38.487 -0.062 0.000 0.970 171 N HN 0.521 nan 8.380 nan 0.000 0.471 172 D N -0.280 119.934 120.400 -0.308 0.000 2.440 172 D HA -0.013 4.627 4.640 -0.000 0.000 0.269 172 D C 0.902 176.946 176.300 -0.427 0.000 1.249 172 D CA 0.180 53.903 54.000 -0.461 0.000 1.055 172 D CB 0.419 40.575 40.800 -1.074 0.000 1.104 172 D HN 0.192 nan 8.370 nan 0.000 0.561 173 N N -1.105 117.370 118.700 -0.375 0.000 2.214 173 N HA 0.158 4.898 4.740 -0.000 0.000 0.214 173 N C -0.229 175.254 175.510 -0.045 0.000 1.132 173 N CA -0.428 52.544 53.050 -0.131 0.000 0.856 173 N CB -0.427 38.077 38.487 0.027 0.000 1.020 173 N HN 0.362 nan 8.380 nan 0.000 0.509 174 F N -2.188 117.734 119.950 -0.047 0.000 2.620 174 F HA 0.721 5.248 4.527 -0.000 0.000 0.320 174 F C -0.661 175.086 175.800 -0.088 0.000 1.069 174 F CA -1.760 56.208 58.000 -0.054 0.000 0.953 174 F CB 0.575 39.547 39.000 -0.046 0.000 1.322 174 F HN -0.234 nan 8.300 nan 0.000 0.479 175 D N 1.338 121.825 120.400 0.145 0.000 2.345 175 D HA 0.245 4.885 4.640 -0.000 0.000 0.247 175 D C -0.676 175.649 176.300 0.042 0.000 1.108 175 D CA -0.108 53.918 54.000 0.043 0.000 0.894 175 D CB 1.328 42.167 40.800 0.065 0.000 1.203 175 D HN 0.498 nan 8.370 nan 0.000 0.430 176 K N 1.097 121.431 120.400 -0.109 0.000 2.182 176 K HA 0.408 4.728 4.320 -0.000 0.000 0.262 176 K C -0.583 175.975 176.600 -0.069 0.000 0.957 176 K CA -0.993 55.114 56.287 -0.301 0.000 0.842 176 K CB 1.843 33.881 32.500 -0.769 0.000 1.099 176 K HN 0.141 nan 8.250 nan 0.000 0.438 177 L N 4.271 125.510 121.223 0.027 0.000 2.272 177 L HA 0.312 4.652 4.340 -0.000 0.000 0.284 177 L C -1.571 175.472 176.870 0.289 0.000 1.045 177 L CA -0.232 54.720 54.840 0.187 0.000 0.842 177 L CB -0.085 42.069 42.059 0.159 0.000 1.224 177 L HN 0.439 nan 8.230 nan 0.000 0.430 178 Y N 5.596 126.154 120.300 0.430 0.000 2.313 178 Y HA 0.492 5.042 4.550 -0.000 0.000 0.332 178 Y C 0.289 176.496 175.900 0.512 0.000 1.071 178 Y CA -0.364 58.046 58.100 0.517 0.000 1.169 178 Y CB 1.466 40.219 38.460 0.489 0.000 1.192 178 Y HN 0.559 nan 8.280 nan 0.000 0.487 179 I N 5.019 125.977 120.570 0.648 0.000 2.439 179 I HA 0.442 4.612 4.170 -0.000 0.000 0.285 179 I C -1.235 175.116 176.117 0.391 0.000 1.021 179 I CA -0.492 61.023 61.300 0.359 0.000 1.091 179 I CB 0.805 38.899 38.000 0.156 0.000 1.242 179 I HN 0.733 nan 8.210 nan 0.000 0.439 180 W N 5.527 126.995 121.300 0.281 0.000 3.459 180 W HA 0.938 5.598 4.660 -0.000 0.000 0.340 180 W C -0.628 176.001 176.519 0.185 0.000 1.275 180 W CA -1.073 56.401 57.345 0.215 0.000 0.985 180 W CB 0.367 29.945 29.460 0.198 0.000 1.745 180 W HN 0.710 nan 8.180 nan 0.000 0.627 181 G N -0.354 108.764 108.800 0.530 0.000 2.600 181 G HA2 0.546 4.506 3.960 -0.000 0.000 0.293 181 G HA3 0.546 4.506 3.960 -0.000 0.000 0.293 181 G C -1.975 173.151 174.900 0.376 0.000 1.408 181 G CA -0.430 44.886 45.100 0.360 0.000 0.782 181 G HN 1.078 nan 8.290 nan 0.000 0.482 182 V N -0.969 119.071 119.914 0.209 0.000 2.841 182 V HA 0.747 4.867 4.120 -0.000 0.000 0.310 182 V C -1.168 174.829 176.094 -0.161 0.000 1.090 182 V CA -0.852 61.457 62.300 0.014 0.000 0.930 182 V CB 1.777 33.594 31.823 -0.010 0.000 1.014 182 V HN 1.099 nan 8.190 nan 0.000 0.425 183 H N 5.475 124.354 119.070 -0.318 0.000 2.467 183 H HA 0.499 5.054 4.556 -0.000 0.000 0.326 183 H C -1.156 174.026 175.328 -0.244 0.000 1.094 183 H CA -0.667 55.215 56.048 -0.278 0.000 1.253 183 H CB 1.216 30.879 29.762 -0.165 0.000 1.439 183 H HN 0.864 nan 8.280 nan 0.000 0.479 184 H N 6.352 125.193 119.070 -0.382 0.000 2.724 184 H HA 0.212 4.768 4.556 -0.000 0.000 0.278 184 H C -2.284 172.766 175.328 -0.463 0.000 1.159 184 H CA -2.019 53.846 56.048 -0.304 0.000 1.254 184 H CB 0.689 30.410 29.762 -0.067 0.000 1.412 184 H HN 0.510 nan 8.280 nan 0.000 0.488 185 P HA -0.087 nan 4.420 nan 0.000 0.269 185 P C 1.029 178.377 177.300 0.081 0.000 1.211 185 P CA 0.244 63.332 63.100 -0.020 0.000 0.781 185 P CB 0.892 32.687 31.700 0.158 0.000 0.877 186 S N -0.927 114.856 115.700 0.139 0.000 2.478 186 S HA 0.073 4.543 4.470 -0.000 0.000 0.222 186 S C 0.689 175.352 174.600 0.105 0.000 1.008 186 S CA 0.849 59.123 58.200 0.123 0.000 0.928 186 S CB -0.727 62.552 63.200 0.133 0.000 0.781 186 S HN 0.676 nan 8.310 nan 0.000 0.518 187 T N -1.922 112.694 114.554 0.104 0.000 2.792 187 T HA 0.457 4.807 4.350 -0.000 0.000 0.303 187 T C 0.046 174.796 174.700 0.082 0.000 1.310 187 T CA -0.840 61.311 62.100 0.086 0.000 1.007 187 T CB 0.986 69.902 68.868 0.080 0.000 1.335 187 T HN -0.114 nan 8.240 nan 0.000 0.504 188 N N 0.338 119.079 118.700 0.067 0.000 2.120 188 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 188 N C 1.751 177.298 175.510 0.061 0.000 1.024 188 N CA 1.543 54.631 53.050 0.063 0.000 0.852 188 N CB -0.462 38.055 38.487 0.050 0.000 1.003 188 N HN 0.611 nan 8.380 nan 0.000 0.424 189 Q N 1.052 120.884 119.800 0.053 0.000 2.112 189 Q HA -0.112 4.228 4.340 -0.000 0.000 0.206 189 Q C 1.925 177.947 176.000 0.038 0.000 0.987 189 Q CA 1.238 57.065 55.803 0.041 0.000 0.858 189 Q CB -0.215 28.546 28.738 0.038 0.000 0.905 189 Q HN 0.483 nan 8.270 nan 0.000 0.420 190 E N -0.312 119.922 120.200 0.057 0.000 2.051 190 E HA -0.270 4.080 4.350 -0.000 0.000 0.192 190 E C 1.959 178.592 176.600 0.055 0.000 0.991 190 E CA 1.042 57.478 56.400 0.059 0.000 0.799 190 E CB 0.069 29.838 29.700 0.116 0.000 0.748 190 E HN 0.235 nan 8.360 nan 0.000 0.449 191 Q N 0.401 120.268 119.800 0.111 0.000 1.985 191 Q HA -0.207 4.133 4.340 -0.000 0.000 0.207 191 Q C 2.160 178.227 176.000 0.113 0.000 0.996 191 Q CA 3.361 59.269 55.803 0.175 0.000 0.851 191 Q CB -0.930 27.899 28.738 0.152 0.000 0.921 191 Q HN 0.394 nan 8.270 nan 0.000 0.418 192 T N -1.041 113.556 114.554 0.070 0.000 2.746 192 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 192 T C 1.787 176.490 174.700 0.006 0.000 1.039 192 T CA 1.357 63.486 62.100 0.048 0.000 1.142 192 T CB -0.663 68.229 68.868 0.040 0.000 0.866 192 T HN 0.352 nan 8.240 nan 0.000 0.444 193 N N 0.880 119.568 118.700 -0.019 0.000 2.166 193 N HA -0.059 4.681 4.740 -0.000 0.000 0.186 193 N C 1.682 177.115 175.510 -0.129 0.000 1.019 193 N CA 1.103 54.120 53.050 -0.054 0.000 0.856 193 N CB -0.264 38.195 38.487 -0.048 0.000 0.993 193 N HN 0.310 nan 8.380 nan 0.000 0.426 194 L N -0.742 120.332 121.223 -0.248 0.000 2.202 194 L HA 0.041 4.381 4.340 -0.000 0.000 0.205 194 L C 0.901 177.413 176.870 -0.596 0.000 1.083 194 L CA 1.133 55.650 54.840 -0.538 0.000 0.790 194 L CB -0.225 41.298 42.059 -0.893 0.000 0.942 194 L HN 0.193 nan 8.230 nan 0.000 0.452 195 Y N -3.442 116.887 120.300 0.049 0.000 2.527 195 Y HA 0.339 4.889 4.550 -0.000 0.000 0.247 195 Y C 1.501 177.407 175.900 0.009 0.000 1.138 195 Y CA -0.054 58.033 58.100 -0.021 0.000 1.228 195 Y CB 0.542 38.827 38.460 -0.292 0.000 1.252 195 Y HN -0.208 nan 8.280 nan 0.000 0.531 196 V N -1.764 118.216 119.914 0.110 0.000 0.489 196 V HA -0.468 3.652 4.120 -0.000 0.000 0.092 196 V C 0.590 176.733 176.094 0.081 0.000 2.367 196 V CA 1.888 64.244 62.300 0.093 0.000 3.630 196 V CB -1.226 30.668 31.823 0.119 0.000 0.914 196 V HN 0.345 nan 8.190 nan 0.000 0.957 197 Q N -0.208 119.640 119.800 0.080 0.000 2.364 197 Q HA 0.625 4.965 4.340 -0.000 0.000 0.267 197 Q C 0.994 177.024 176.000 0.049 0.000 0.999 197 Q CA 0.874 56.705 55.803 0.047 0.000 0.886 197 Q CB 0.915 29.660 28.738 0.010 0.000 1.243 197 Q HN 0.686 nan 8.270 nan 0.000 0.415 198 A N 1.778 124.621 122.820 0.039 0.000 2.167 198 A HA 0.078 4.398 4.320 -0.000 0.000 0.214 198 A C 0.618 178.222 177.584 0.034 0.000 1.151 198 A CA 0.801 52.864 52.037 0.042 0.000 0.735 198 A CB 0.344 19.364 19.000 0.034 0.000 0.802 198 A HN 0.424 nan 8.150 nan 0.000 0.467 199 S N -0.954 114.753 115.700 0.013 0.000 2.736 199 S HA 0.558 5.028 4.470 -0.000 0.000 0.285 199 S C 0.118 174.688 174.600 -0.050 0.000 1.163 199 S CA -0.038 58.158 58.200 -0.007 0.000 1.025 199 S CB 0.638 63.836 63.200 -0.003 0.000 1.030 199 S HN 0.658 nan 8.310 nan 0.000 0.486 200 G N 2.361 111.104 108.800 -0.094 0.000 2.557 200 G HA2 0.715 4.675 3.960 -0.000 0.000 0.292 200 G HA3 0.715 4.675 3.960 -0.000 0.000 0.292 200 G C -0.651 174.165 174.900 -0.140 0.000 1.237 200 G CA -0.694 44.291 45.100 -0.191 0.000 0.978 200 G HN 0.849 nan 8.290 nan 0.000 0.498 201 R N -1.434 118.970 120.500 -0.159 0.000 2.633 201 R HA 0.416 4.756 4.340 -0.000 0.000 0.256 201 R C -2.345 173.882 176.300 -0.120 0.000 1.131 201 R CA -0.479 55.554 56.100 -0.111 0.000 0.994 201 R CB 1.712 31.967 30.300 -0.076 0.000 1.261 201 R HN 0.452 nan 8.270 nan 0.000 0.446 202 V N 3.185 123.023 119.914 -0.127 0.000 2.483 202 V HA 0.512 4.632 4.120 -0.000 0.000 0.297 202 V C -0.750 175.208 176.094 -0.227 0.000 1.027 202 V CA -0.500 61.696 62.300 -0.174 0.000 0.855 202 V CB 2.200 33.925 31.823 -0.163 0.000 0.995 202 V HN 0.836 nan 8.190 nan 0.000 0.424 203 T N 4.337 118.739 114.554 -0.254 0.000 2.864 203 T HA 0.517 4.867 4.350 -0.000 0.000 0.299 203 T C -0.535 173.963 174.700 -0.336 0.000 1.011 203 T CA -0.406 61.547 62.100 -0.245 0.000 0.975 203 T CB 1.430 70.213 68.868 -0.141 0.000 0.962 203 T HN 0.287 nan 8.240 nan 0.000 0.448 204 V N 4.007 123.654 119.914 -0.445 0.000 2.384 204 V HA 0.756 4.876 4.120 -0.000 0.000 0.287 204 V C 0.125 176.106 176.094 -0.188 0.000 1.020 204 V CA -0.576 61.452 62.300 -0.454 0.000 0.850 204 V CB 1.290 32.570 31.823 -0.904 0.000 0.987 204 V HN 1.061 nan 8.190 nan 0.000 0.436 205 S N 2.974 118.589 115.700 -0.142 0.000 2.697 205 S HA 0.960 5.430 4.470 -0.000 0.000 0.289 205 S C -0.351 174.216 174.600 -0.055 0.000 1.149 205 S CA -0.327 57.832 58.200 -0.070 0.000 0.850 205 S CB 2.514 65.674 63.200 -0.066 0.000 1.151 205 S HN 0.894 nan 8.310 nan 0.000 0.491 206 T N -1.983 112.556 114.554 -0.026 0.000 2.654 206 T HA 0.536 4.886 4.350 -0.000 0.000 0.289 206 T C 0.273 174.964 174.700 -0.015 0.000 1.062 206 T CA -1.085 61.004 62.100 -0.018 0.000 1.041 206 T CB 1.123 69.998 68.868 0.012 0.000 1.417 206 T HN 0.523 nan 8.240 nan 0.000 0.510 207 R N -0.596 119.898 120.500 -0.011 0.000 2.276 207 R HA 0.108 4.448 4.340 -0.000 0.000 0.203 207 R C 2.456 178.755 176.300 -0.003 0.000 1.017 207 R CA 0.385 56.478 56.100 -0.011 0.000 1.010 207 R CB -0.006 30.287 30.300 -0.012 0.000 0.900 207 R HN 0.422 nan 8.270 nan 0.000 0.469 208 R N 0.270 120.774 120.500 0.006 0.000 2.250 208 R HA 0.115 4.455 4.340 -0.000 0.000 0.194 208 R C 0.477 176.787 176.300 0.017 0.000 0.927 208 R CA 0.871 56.979 56.100 0.013 0.000 1.052 208 R CB 0.518 30.831 30.300 0.023 0.000 1.055 208 R HN 0.381 nan 8.270 nan 0.000 0.537 209 S N -0.605 115.106 115.700 0.018 0.000 2.732 209 S HA 0.570 5.040 4.470 -0.000 0.000 0.293 209 S C -1.362 173.243 174.600 0.007 0.000 1.159 209 S CA -0.684 57.527 58.200 0.019 0.000 0.847 209 S CB 2.078 65.300 63.200 0.037 0.000 1.169 209 S HN 0.284 nan 8.310 nan 0.000 0.501 210 Q N 0.974 120.778 119.800 0.006 0.000 2.520 210 Q HA 0.212 4.552 4.340 -0.000 0.000 0.237 210 Q C -2.362 173.636 176.000 -0.004 0.000 0.875 210 Q CA -0.319 55.478 55.803 -0.010 0.000 1.028 210 Q CB 1.353 30.078 28.738 -0.022 0.000 1.534 210 Q HN 0.955 nan 8.270 nan 0.000 0.471 211 Q N 1.806 121.610 119.800 0.006 0.000 2.309 211 Q HA 0.541 4.881 4.340 -0.000 0.000 0.270 211 Q C -1.199 174.788 176.000 -0.021 0.000 1.023 211 Q CA -0.739 55.075 55.803 0.019 0.000 0.758 211 Q CB 2.343 31.137 28.738 0.093 0.000 1.247 211 Q HN 0.505 nan 8.270 nan 0.000 0.455 212 T N 4.294 118.818 114.554 -0.049 0.000 2.770 212 T HA 0.528 4.878 4.350 -0.000 0.000 0.283 212 T C -0.481 174.169 174.700 -0.084 0.000 0.988 212 T CA -0.532 61.521 62.100 -0.080 0.000 0.957 212 T CB 0.385 69.212 68.868 -0.067 0.000 0.930 212 T HN 0.563 nan 8.240 nan 0.000 0.443 213 I N 5.893 126.396 120.570 -0.112 0.000 2.493 213 I HA 0.500 4.670 4.170 -0.000 0.000 0.298 213 I C 0.141 176.218 176.117 -0.067 0.000 0.998 213 I CA -1.258 59.968 61.300 -0.125 0.000 1.137 213 I CB 1.687 39.524 38.000 -0.272 0.000 1.310 213 I HN 0.680 nan 8.210 nan 0.000 0.445 214 I N 6.437 126.997 120.570 -0.018 0.000 2.404 214 I HA 0.325 4.495 4.170 -0.000 0.000 0.293 214 I C -2.197 173.955 176.117 0.058 0.000 0.992 214 I CA -1.833 59.465 61.300 -0.003 0.000 1.149 214 I CB 2.226 40.227 38.000 0.001 0.000 1.315 214 I HN 0.235 nan 8.210 nan 0.000 0.446 215 P HA 0.134 nan 4.420 nan 0.000 0.272 215 P C -1.244 176.161 177.300 0.175 0.000 1.240 215 P CA -0.314 62.848 63.100 0.103 0.000 0.791 215 P CB 0.472 32.146 31.700 -0.043 0.000 0.978 216 N N 1.417 120.304 118.700 0.312 0.000 2.480 216 N HA 0.290 5.030 4.740 -0.000 0.000 0.289 216 N C -0.971 174.592 175.510 0.088 0.000 1.073 216 N CA -0.360 52.757 53.050 0.111 0.000 0.885 216 N CB 1.031 39.513 38.487 -0.008 0.000 1.421 216 N HN 0.166 nan 8.380 nan 0.000 0.503 217 I N 1.432 122.041 120.570 0.065 0.000 2.474 217 I HA 0.574 4.744 4.170 -0.000 0.000 0.287 217 I C 1.180 177.323 176.117 0.044 0.000 1.048 217 I CA 0.350 61.687 61.300 0.062 0.000 1.383 217 I CB 0.936 38.974 38.000 0.064 0.000 1.412 217 I HN 0.639 nan 8.210 nan 0.000 0.531 218 G N 2.925 111.756 108.800 0.053 0.000 2.325 218 G HA2 0.329 4.289 3.960 -0.000 0.000 0.297 218 G HA3 0.329 4.289 3.960 -0.000 0.000 0.297 218 G C -1.554 173.386 174.900 0.066 0.000 1.448 218 G CA -0.817 44.311 45.100 0.048 0.000 0.838 218 G HN 0.431 nan 8.290 nan 0.000 0.579 219 S N -0.055 115.688 115.700 0.072 0.000 2.499 219 S HA 0.713 5.183 4.470 -0.000 0.000 0.279 219 S C 0.300 174.955 174.600 0.092 0.000 1.219 219 S CA -0.432 57.828 58.200 0.101 0.000 1.062 219 S CB 0.989 64.257 63.200 0.114 0.000 0.978 219 S HN 0.580 nan 8.310 nan 0.000 0.489 220 R N 1.901 122.470 120.500 0.116 0.000 2.854 220 R HA 0.497 4.837 4.340 -0.000 0.000 0.271 220 R C -2.970 173.421 176.300 0.152 0.000 0.994 220 R CA -2.330 53.828 56.100 0.097 0.000 0.945 220 R CB 0.502 30.843 30.300 0.067 0.000 1.194 220 R HN 0.324 nan 8.270 nan 0.000 0.476 221 P HA -0.123 nan 4.420 nan 0.000 0.263 221 P C -0.873 176.572 177.300 0.242 0.000 1.175 221 P CA 0.144 63.334 63.100 0.150 0.000 0.761 221 P CB 0.336 32.081 31.700 0.075 0.000 0.794 222 W N 3.103 124.401 121.300 -0.003 0.000 2.264 222 W HA 0.221 4.881 4.660 0.000 0.000 0.331 222 W C -0.166 176.341 176.519 -0.019 0.000 1.364 222 W CA 0.495 57.837 57.345 -0.005 0.000 1.253 222 W CB 0.037 29.499 29.460 0.002 0.000 1.215 222 W HN 0.020 nan 8.180 nan 0.000 0.561 223 V N 6.077 126.057 119.914 0.110 0.000 2.419 223 V HA 0.300 4.420 4.120 -0.000 0.000 0.287 223 V C 0.175 176.266 176.094 -0.006 0.000 1.017 223 V CA -1.342 60.984 62.300 0.042 0.000 0.844 223 V CB 1.092 32.907 31.823 -0.013 0.000 1.011 223 V HN 0.642 nan 8.190 nan 0.000 0.429 224 R N 3.411 123.938 120.500 0.045 0.000 3.531 224 R HA -0.211 4.129 4.340 -0.000 0.000 0.280 224 R C 1.211 177.504 176.300 -0.011 0.000 1.130 224 R CA 0.700 56.816 56.100 0.027 0.000 0.757 224 R CB -1.651 28.653 30.300 0.007 0.000 1.218 224 R HN 1.558 nan 8.270 nan 0.000 0.454 225 G N -1.126 107.688 108.800 0.025 0.000 2.179 225 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 225 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 225 G C -0.081 174.385 174.900 -0.725 0.000 0.977 225 G CA 0.519 45.479 45.100 -0.233 0.000 0.641 225 G HN 0.296 nan 8.290 nan 0.000 0.533 226 Q N -0.497 119.033 119.800 -0.450 0.000 2.293 226 Q HA 0.475 4.815 4.340 -0.000 0.000 0.261 226 Q C -1.986 173.804 176.000 -0.351 0.000 0.960 226 Q CA -1.890 53.648 55.803 -0.441 0.000 0.882 226 Q CB 2.327 30.847 28.738 -0.362 0.000 1.275 226 Q HN 0.191 nan 8.270 nan 0.000 0.445 227 P HA 0.044 nan 4.420 nan 0.000 0.234 227 P C 0.439 177.781 177.300 0.069 0.000 1.175 227 P CA 0.411 63.497 63.100 -0.023 0.000 0.801 227 P CB 0.527 32.260 31.700 0.054 0.000 0.891 228 G N 0.150 109.029 108.800 0.132 0.000 2.588 228 G HA2 0.452 4.412 3.960 -0.000 0.000 0.278 228 G HA3 0.452 4.412 3.960 -0.000 0.000 0.278 228 G C -0.058 175.021 174.900 0.299 0.000 1.307 228 G CA -0.197 45.072 45.100 0.281 0.000 1.016 228 G HN -0.101 nan 8.290 nan 0.000 0.503 229 R N -1.690 119.082 120.500 0.453 0.000 2.747 229 R HA 0.393 4.733 4.340 -0.000 0.000 0.272 229 R C -1.549 175.094 176.300 0.572 0.000 1.032 229 R CA -0.760 55.636 56.100 0.493 0.000 0.896 229 R CB 1.480 31.965 30.300 0.309 0.000 1.253 229 R HN 0.355 nan 8.270 nan 0.000 0.461 230 I N 0.955 121.819 120.570 0.490 0.000 2.499 230 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 230 I C -0.181 176.095 176.117 0.266 0.000 1.048 230 I CA -0.545 60.938 61.300 0.305 0.000 1.062 230 I CB 1.864 40.032 38.000 0.280 0.000 1.238 230 I HN 0.339 nan 8.210 nan 0.000 0.426 231 S N 6.611 122.445 115.700 0.224 0.000 2.480 231 S HA 0.647 5.117 4.470 -0.000 0.000 0.286 231 S C 0.004 174.613 174.600 0.015 0.000 1.180 231 S CA -0.448 57.869 58.200 0.194 0.000 1.075 231 S CB 1.349 64.837 63.200 0.479 0.000 0.996 231 S HN 0.349 nan 8.310 nan 0.000 0.487 232 I N 3.518 123.912 120.570 -0.295 0.000 2.412 232 I HA 0.462 4.632 4.170 -0.000 0.000 0.296 232 I C -1.094 174.506 176.117 -0.862 0.000 0.987 232 I CA -0.602 60.465 61.300 -0.388 0.000 1.180 232 I CB 1.156 39.008 38.000 -0.246 0.000 1.340 232 I HN 0.579 nan 8.210 nan 0.000 0.455 233 Y N 3.853 123.782 120.300 -0.619 0.000 2.633 233 Y HA 0.592 5.142 4.550 -0.000 0.000 0.339 233 Y C -0.523 174.892 175.900 -0.808 0.000 1.045 233 Y CA -0.840 56.740 58.100 -0.868 0.000 1.098 233 Y CB 1.623 39.197 38.460 -1.475 0.000 1.296 233 Y HN 0.620 nan 8.280 nan 0.000 0.494 234 W N -1.186 119.852 121.300 -0.436 0.000 3.062 234 W HA 0.860 5.520 4.660 -0.000 0.000 0.336 234 W C -2.134 174.468 176.519 0.139 0.000 1.224 234 W CA -1.150 56.095 57.345 -0.166 0.000 1.159 234 W CB 1.330 30.723 29.460 -0.112 0.000 1.454 234 W HN 0.415 nan 8.180 nan 0.000 0.569 235 T N 2.665 117.547 114.554 0.548 0.000 2.993 235 T HA 0.516 4.866 4.350 -0.000 0.000 0.312 235 T C -1.527 173.477 174.700 0.507 0.000 1.115 235 T CA -0.486 61.900 62.100 0.475 0.000 1.027 235 T CB 1.562 70.735 68.868 0.508 0.000 1.116 235 T HN 0.342 nan 8.240 nan 0.000 0.464 236 I N 2.553 123.351 120.570 0.381 0.000 2.354 236 I HA 0.448 4.618 4.170 -0.000 0.000 0.292 236 I C -0.357 175.900 176.117 0.233 0.000 0.989 236 I CA -0.649 60.829 61.300 0.297 0.000 1.188 236 I CB 1.663 39.800 38.000 0.230 0.000 1.342 236 I HN 0.375 nan 8.210 nan 0.000 0.457 237 V N 7.090 127.141 119.914 0.228 0.000 2.347 237 V HA 0.384 4.504 4.120 -0.000 0.000 0.280 237 V C 0.278 176.407 176.094 0.058 0.000 1.021 237 V CA -1.053 61.342 62.300 0.158 0.000 0.847 237 V CB 1.001 32.968 31.823 0.241 0.000 0.990 237 V HN 0.591 nan 8.190 nan 0.000 0.444 238 K N 5.075 125.496 120.400 0.035 0.000 2.168 238 K HA 0.367 4.687 4.320 -0.000 0.000 0.258 238 K C -2.578 173.995 176.600 -0.046 0.000 1.010 238 K CA -1.617 54.668 56.287 -0.002 0.000 0.929 238 K CB 0.498 33.005 32.500 0.012 0.000 0.998 238 K HN 0.343 nan 8.250 nan 0.000 0.479 239 P HA -0.067 nan 4.420 nan 0.000 0.264 239 P C 0.515 177.774 177.300 -0.069 0.000 1.193 239 P CA 1.008 64.042 63.100 -0.109 0.000 0.763 239 P CB 0.564 32.197 31.700 -0.112 0.000 0.810 240 G N 1.727 110.484 108.800 -0.072 0.000 2.234 240 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.235 240 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.235 240 G C 0.343 175.220 174.900 -0.039 0.000 0.997 240 G CA -0.047 45.024 45.100 -0.049 0.000 0.623 240 G HN 0.557 nan 8.290 nan 0.000 0.514 241 D N -0.406 119.973 120.400 -0.035 0.000 2.506 241 D HA 0.690 5.330 4.640 -0.000 0.000 0.272 241 D C -0.056 176.229 176.300 -0.025 0.000 1.214 241 D CA 0.364 54.351 54.000 -0.023 0.000 1.067 241 D CB 1.846 42.642 40.800 -0.006 0.000 1.117 241 D HN 0.622 nan 8.370 nan 0.000 0.578 242 V N 1.164 121.064 119.914 -0.024 0.000 3.087 242 V HA 0.433 4.553 4.120 -0.000 0.000 0.306 242 V C -1.516 174.544 176.094 -0.056 0.000 1.187 242 V CA -0.797 61.481 62.300 -0.036 0.000 0.999 242 V CB 2.108 33.903 31.823 -0.047 0.000 1.049 242 V HN 0.410 nan 8.190 nan 0.000 0.431 243 L N 5.851 127.013 121.223 -0.101 0.000 2.307 243 L HA 0.823 5.163 4.340 -0.000 0.000 0.282 243 L C -0.886 175.883 176.870 -0.168 0.000 1.051 243 L CA 0.172 54.904 54.840 -0.180 0.000 0.804 243 L CB 1.684 43.496 42.059 -0.410 0.000 1.197 243 L HN 0.525 nan 8.230 nan 0.000 0.431 244 V N 6.656 126.475 119.914 -0.159 0.000 2.525 244 V HA 0.455 4.575 4.120 -0.000 0.000 0.299 244 V C -0.319 175.677 176.094 -0.164 0.000 1.034 244 V CA -0.417 61.799 62.300 -0.140 0.000 0.863 244 V CB 1.736 33.496 31.823 -0.105 0.000 0.999 244 V HN 0.593 nan 8.190 nan 0.000 0.423 245 I N 5.143 125.630 120.570 -0.138 0.000 2.355 245 I HA 0.457 4.627 4.170 -0.000 0.000 0.288 245 I C -0.280 175.804 176.117 -0.056 0.000 0.999 245 I CA -0.237 60.982 61.300 -0.135 0.000 1.163 245 I CB 1.464 39.454 38.000 -0.017 0.000 1.316 245 I HN 0.551 nan 8.210 nan 0.000 0.454 246 N N 5.352 123.998 118.700 -0.089 0.000 2.448 246 N HA 0.409 5.149 4.740 -0.000 0.000 0.279 246 N C -1.629 173.861 175.510 -0.033 0.000 1.025 246 N CA -0.000 53.028 53.050 -0.037 0.000 0.898 246 N CB 2.040 40.496 38.487 -0.053 0.000 1.303 246 N HN 0.600 nan 8.380 nan 0.000 0.495 247 S N 2.440 118.164 115.700 0.040 0.000 2.537 247 S HA 0.386 4.856 4.470 -0.000 0.000 0.270 247 S C -0.626 174.067 174.600 0.155 0.000 1.142 247 S CA -0.776 57.453 58.200 0.049 0.000 0.870 247 S CB 0.531 63.754 63.200 0.039 0.000 1.112 247 S HN 0.713 nan 8.310 nan 0.000 0.466 248 N N 1.608 120.358 118.700 0.085 0.000 2.351 248 N HA 0.526 5.266 4.740 -0.000 0.000 0.254 248 N C 0.105 175.491 175.510 -0.208 0.000 1.241 248 N CA -0.472 52.667 53.050 0.149 0.000 0.883 248 N CB 1.032 39.564 38.487 0.076 0.000 1.202 248 N HN 0.936 nan 8.380 nan 0.000 0.512 249 G N 0.597 109.083 108.800 -0.523 0.000 2.301 249 G HA2 0.111 4.071 3.960 -0.000 0.000 0.290 249 G HA3 0.111 4.071 3.960 -0.000 0.000 0.290 249 G C -0.584 173.783 174.900 -0.889 0.000 1.669 249 G CA -0.659 43.684 45.100 -1.261 0.000 0.945 249 G HN 0.187 nan 8.290 nan 0.000 0.710 250 N N -2.603 115.257 118.700 -1.401 0.000 2.948 250 N HA -0.178 4.562 4.740 -0.000 0.000 0.239 250 N C 0.213 175.517 175.510 -0.343 0.000 0.954 250 N CA 1.182 53.630 53.050 -1.003 0.000 0.941 250 N CB -1.080 37.014 38.487 -0.656 0.000 1.101 250 N HN 1.212 nan 8.380 nan 0.000 0.579 251 L N 0.669 121.795 121.223 -0.161 0.000 2.371 251 L HA 0.554 4.894 4.340 -0.000 0.000 0.272 251 L C -0.345 176.512 176.870 -0.022 0.000 1.124 251 L CA -0.345 54.469 54.840 -0.044 0.000 0.816 251 L CB 0.522 42.566 42.059 -0.025 0.000 1.129 251 L HN 0.078 nan 8.230 nan 0.000 0.448 252 I N 5.535 126.111 120.570 0.011 0.000 2.371 252 I HA 0.483 4.653 4.170 -0.000 0.000 0.282 252 I C 0.329 176.500 176.117 0.090 0.000 1.031 252 I CA -0.180 61.125 61.300 0.007 0.000 1.180 252 I CB 0.906 38.933 38.000 0.044 0.000 1.336 252 I HN 0.775 nan 8.210 nan 0.000 0.467 253 A N 8.391 131.171 122.820 -0.067 0.000 2.386 253 A HA 0.677 4.997 4.320 -0.000 0.000 0.248 253 A C -2.400 175.317 177.584 0.222 0.000 1.082 253 A CA -0.908 51.080 52.037 -0.082 0.000 0.789 253 A CB -0.342 18.213 19.000 -0.742 0.000 1.025 253 A HN 0.424 nan 8.150 nan 0.000 0.490 254 P HA 0.406 nan 4.420 nan 0.000 0.279 254 P C 0.010 177.642 177.300 0.554 0.000 1.252 254 P CA -0.387 63.036 63.100 0.539 0.000 0.811 254 P CB 0.758 32.853 31.700 0.659 0.000 1.035 255 R N 0.413 121.272 120.500 0.599 0.000 2.437 255 R HA 0.447 4.787 4.340 -0.000 0.000 0.257 255 R C 0.884 177.472 176.300 0.480 0.000 0.927 255 R CA 0.128 56.561 56.100 0.554 0.000 1.078 255 R CB 0.510 31.098 30.300 0.480 0.000 1.161 255 R HN 0.731 nan 8.270 nan 0.000 0.529 256 G N 0.014 109.066 108.800 0.420 0.000 2.566 256 G HA2 0.073 4.033 3.960 -0.000 0.000 0.138 256 G HA3 0.073 4.033 3.960 -0.000 0.000 0.138 256 G C -1.924 172.826 174.900 -0.250 0.000 1.133 256 G CA -0.457 44.564 45.100 -0.132 0.000 1.037 256 G HN 0.117 nan 8.290 nan 0.000 0.491 257 Y N -1.407 118.353 120.300 -0.899 0.000 2.689 257 Y HA 0.861 5.411 4.550 -0.000 0.000 0.333 257 Y C -1.693 173.833 175.900 -0.624 0.000 1.190 257 Y CA -2.682 55.036 58.100 -0.637 0.000 1.063 257 Y CB 0.847 38.804 38.460 -0.839 0.000 1.294 257 Y HN 0.494 nan 8.280 nan 0.000 0.466 258 F N 0.695 120.754 119.950 0.182 0.000 2.469 258 F HA 0.571 5.098 4.527 -0.000 0.000 0.332 258 F C 0.332 176.263 175.800 0.218 0.000 1.103 258 F CA -1.055 57.061 58.000 0.193 0.000 0.979 258 F CB 2.034 41.141 39.000 0.178 0.000 1.137 258 F HN 0.441 nan 8.300 nan 0.000 0.463 259 K N 3.921 124.496 120.400 0.291 0.000 2.350 259 K HA 0.424 4.744 4.320 -0.000 0.000 0.279 259 K C -0.355 176.290 176.600 0.074 0.000 1.027 259 K CA -0.234 56.123 56.287 0.118 0.000 0.969 259 K CB 0.467 32.901 32.500 -0.110 0.000 0.954 259 K HN 0.709 nan 8.250 nan 0.000 0.474 260 M N 5.686 125.318 119.600 0.054 0.000 2.072 260 M HA 0.401 4.881 4.480 -0.000 0.000 0.331 260 M C 0.026 176.317 176.300 -0.015 0.000 1.004 260 M CA -0.388 54.925 55.300 0.023 0.000 0.952 260 M CB 1.351 33.980 32.600 0.048 0.000 1.511 260 M HN 0.579 nan 8.290 nan 0.000 0.422 261 R N 1.112 121.577 120.500 -0.058 0.000 2.873 261 R HA 0.802 5.142 4.340 -0.000 0.000 0.264 261 R C -0.436 175.826 176.300 -0.063 0.000 1.026 261 R CA -0.885 55.174 56.100 -0.068 0.000 1.002 261 R CB 1.139 31.376 30.300 -0.105 0.000 1.174 261 R HN 0.561 nan 8.270 nan 0.000 0.488 262 T N -1.948 112.579 114.554 -0.046 0.000 2.888 262 T HA 0.799 5.149 4.350 -0.000 0.000 0.284 262 T C 0.278 174.954 174.700 -0.039 0.000 1.017 262 T CA -0.193 61.886 62.100 -0.036 0.000 1.022 262 T CB 2.023 70.882 68.868 -0.015 0.000 1.013 262 T HN 0.854 nan 8.240 nan 0.000 0.465 263 G N 0.895 109.677 108.800 -0.031 0.000 2.539 263 G HA2 0.407 4.367 3.960 -0.000 0.000 0.138 263 G HA3 0.407 4.367 3.960 -0.000 0.000 0.138 263 G C -0.326 174.577 174.900 0.005 0.000 1.148 263 G CA -0.180 44.907 45.100 -0.021 0.000 1.057 263 G HN 1.090 nan 8.290 nan 0.000 0.511 264 K N -0.051 120.365 120.400 0.027 0.000 2.514 264 K HA 0.628 4.948 4.320 -0.000 0.000 0.207 264 K C 0.504 177.206 176.600 0.170 0.000 1.035 264 K CA 0.549 56.885 56.287 0.082 0.000 1.113 264 K CB 0.226 32.770 32.500 0.072 0.000 0.846 264 K HN 0.595 nan 8.250 nan 0.000 0.491 265 S N 0.976 116.718 115.700 0.070 0.000 2.584 265 S HA 0.544 5.014 4.470 -0.000 0.000 0.270 265 S C -0.023 174.683 174.600 0.177 0.000 1.346 265 S CA -0.046 58.193 58.200 0.065 0.000 1.018 265 S CB 1.095 64.186 63.200 -0.182 0.000 0.899 265 S HN 0.651 nan 8.310 nan 0.000 0.542 266 S N 0.071 115.907 115.700 0.226 0.000 2.655 266 S HA 0.651 5.121 4.470 -0.000 0.000 0.266 266 S C -1.779 172.879 174.600 0.097 0.000 1.149 266 S CA -0.749 57.545 58.200 0.158 0.000 0.818 266 S CB 0.594 63.884 63.200 0.150 0.000 1.130 266 S HN 0.651 nan 8.310 nan 0.000 0.476 267 I N 1.893 122.466 120.570 0.005 0.000 2.934 267 I HA 0.789 4.959 4.170 -0.000 0.000 0.306 267 I C -1.156 174.933 176.117 -0.048 0.000 1.110 267 I CA -0.974 60.294 61.300 -0.054 0.000 1.019 267 I CB 1.915 39.834 38.000 -0.135 0.000 1.227 267 I HN 0.890 nan 8.210 nan 0.000 0.434 268 M N 5.383 124.959 119.600 -0.041 0.000 2.465 268 M HA 0.507 4.987 4.480 -0.000 0.000 0.284 268 M C -1.838 174.450 176.300 -0.019 0.000 1.212 268 M CA -0.602 54.681 55.300 -0.029 0.000 0.910 268 M CB 2.286 34.865 32.600 -0.034 0.000 1.725 268 M HN 0.484 nan 8.290 nan 0.000 0.477 269 R N 2.574 123.065 120.500 -0.015 0.000 2.229 269 R HA 0.637 4.977 4.340 -0.000 0.000 0.332 269 R C -1.161 175.133 176.300 -0.011 0.000 0.989 269 R CA -0.460 55.633 56.100 -0.012 0.000 0.842 269 R CB 1.670 31.963 30.300 -0.012 0.000 1.119 269 R HN 0.678 nan 8.270 nan 0.000 0.456 270 S N 1.148 116.841 115.700 -0.012 0.000 2.542 270 S HA 0.152 4.622 4.470 -0.000 0.000 0.276 270 S C -0.921 173.674 174.600 -0.008 0.000 1.148 270 S CA -0.793 57.403 58.200 -0.008 0.000 0.886 270 S CB 1.397 64.594 63.200 -0.006 0.000 1.109 270 S HN 0.573 nan 8.310 nan 0.000 0.458 271 D N 2.077 122.476 120.400 -0.001 0.000 2.363 271 D HA 0.278 4.918 4.640 -0.000 0.000 0.214 271 D C 0.701 177.003 176.300 0.003 0.000 1.093 271 D CA 0.151 54.152 54.000 0.002 0.000 0.837 271 D CB 0.702 41.507 40.800 0.007 0.000 0.948 271 D HN 0.647 nan 8.370 nan 0.000 0.507 272 A N 2.140 124.962 122.820 0.003 0.000 2.477 272 A HA 0.353 4.673 4.320 -0.000 0.000 0.246 272 A C -2.213 175.373 177.584 0.003 0.000 1.078 272 A CA -0.775 51.266 52.037 0.007 0.000 0.770 272 A CB 0.030 19.038 19.000 0.012 0.000 1.011 272 A HN -0.093 nan 8.150 nan 0.000 0.494 273 P HA 0.173 nan 4.420 nan 0.000 0.271 273 P C -0.195 177.107 177.300 0.004 0.000 1.218 273 P CA -0.077 63.025 63.100 0.004 0.000 0.780 273 P CB 0.534 32.238 31.700 0.007 0.000 0.901 274 I N 1.411 121.981 120.570 -0.001 0.000 2.310 274 I HA 0.308 4.478 4.170 -0.000 0.000 0.287 274 I C -0.282 175.838 176.117 0.004 0.000 1.073 274 I CA -0.521 60.780 61.300 0.001 0.000 1.216 274 I CB 0.072 38.067 38.000 -0.008 0.000 1.415 274 I HN 0.185 nan 8.210 nan 0.000 0.480 275 D N 4.725 125.130 120.400 0.009 0.000 2.411 275 D HA 0.263 4.903 4.640 -0.000 0.000 0.251 275 D C -0.454 175.851 176.300 0.009 0.000 1.201 275 D CA -0.015 53.990 54.000 0.008 0.000 0.996 275 D CB 1.365 42.171 40.800 0.011 0.000 1.101 275 D HN 0.492 nan 8.370 nan 0.000 0.504 276 T N 1.054 115.612 114.554 0.006 0.000 2.832 276 T HA 0.518 4.868 4.350 -0.000 0.000 0.313 276 T C -0.420 174.283 174.700 0.005 0.000 1.035 276 T CA -0.547 61.556 62.100 0.005 0.000 0.950 276 T CB -0.810 68.059 68.868 0.002 0.000 0.984 276 T HN 0.570 nan 8.240 nan 0.000 0.486 277 c N 1.799 120.402 118.600 0.005 0.000 3.254 277 c HA 0.750 5.320 4.570 -0.000 0.000 0.374 277 c C -1.563 172.527 174.090 -0.001 0.000 1.710 277 c CA -1.281 55.050 56.329 0.004 0.000 1.149 277 c CB 0.345 42.861 42.510 0.009 0.000 2.019 277 c HN 0.702 nan 8.230 nan 0.000 0.427 278 I N 1.857 122.426 120.570 -0.003 0.000 2.468 278 I HA 0.565 4.735 4.170 -0.000 0.000 0.284 278 I C -0.458 175.655 176.117 -0.006 0.000 1.038 278 I CA 0.181 61.473 61.300 -0.014 0.000 1.083 278 I CB 1.608 39.595 38.000 -0.021 0.000 1.223 278 I HN 0.775 nan 8.210 nan 0.000 0.443 279 S N 3.896 119.595 115.700 -0.003 0.000 2.750 279 S HA 0.265 4.735 4.470 -0.000 0.000 0.276 279 S C 0.501 175.125 174.600 0.041 0.000 1.165 279 S CA -0.461 57.753 58.200 0.023 0.000 1.047 279 S CB 1.497 64.724 63.200 0.046 0.000 1.056 279 S HN 0.663 nan 8.310 nan 0.000 0.481 280 E N 2.193 122.413 120.200 0.034 0.000 2.070 280 E HA -0.087 4.263 4.350 -0.000 0.000 0.197 280 E C 0.691 177.417 176.600 0.209 0.000 1.004 280 E CA 1.219 57.669 56.400 0.083 0.000 0.805 280 E CB 0.103 29.834 29.700 0.050 0.000 0.744 280 E HN 0.619 nan 8.360 nan 0.000 0.451 281 c N 0.723 119.403 118.600 0.134 0.000 2.307 281 c HA 0.569 5.139 4.570 -0.000 0.000 0.340 281 c C -0.139 174.041 174.090 0.150 0.000 1.275 281 c CA -0.891 55.515 56.329 0.128 0.000 1.811 281 c CB -1.091 41.467 42.510 0.079 0.000 2.372 281 c HN 0.247 nan 8.230 nan 0.000 0.531 282 I N 6.109 126.789 120.570 0.184 0.000 2.474 282 I HA 0.517 4.687 4.170 -0.000 0.000 0.294 282 I C 0.403 176.601 176.117 0.136 0.000 1.005 282 I CA 0.065 61.470 61.300 0.176 0.000 1.113 282 I CB 2.329 40.472 38.000 0.238 0.000 1.289 282 I HN 0.811 nan 8.210 nan 0.000 0.436 283 T N 1.586 116.197 114.554 0.096 0.000 2.883 283 T HA 0.452 4.802 4.350 -0.000 0.000 0.296 283 T C -2.530 172.199 174.700 0.049 0.000 1.117 283 T CA -1.993 60.150 62.100 0.071 0.000 1.006 283 T CB 2.203 71.110 68.868 0.065 0.000 1.191 283 T HN 0.170 nan 8.240 nan 0.000 0.508 284 P HA 0.049 nan 4.420 nan 0.000 0.225 284 P C 0.634 177.946 177.300 0.020 0.000 1.148 284 P CA 0.736 63.846 63.100 0.017 0.000 0.779 284 P CB -0.105 31.598 31.700 0.004 0.000 0.780 285 N N -1.219 117.498 118.700 0.028 0.000 2.412 285 N HA 0.235 4.975 4.740 -0.000 0.000 0.184 285 N C 0.966 176.496 175.510 0.034 0.000 1.101 285 N CA 0.845 53.913 53.050 0.030 0.000 0.881 285 N CB 0.208 38.718 38.487 0.038 0.000 0.969 285 N HN 0.099 nan 8.380 nan 0.000 0.459 286 G N -1.283 107.541 108.800 0.039 0.000 2.331 286 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.402 286 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.402 286 G C -1.001 173.933 174.900 0.057 0.000 1.275 286 G CA -0.815 44.311 45.100 0.042 0.000 1.003 286 G HN 0.036 nan 8.290 nan 0.000 0.500 287 S N -0.600 115.134 115.700 0.058 0.000 2.632 287 S HA 0.794 5.264 4.470 -0.000 0.000 0.267 287 S C 0.417 175.053 174.600 0.060 0.000 1.276 287 S CA 0.415 58.657 58.200 0.070 0.000 0.998 287 S CB 0.736 63.977 63.200 0.068 0.000 0.953 287 S HN 1.417 nan 8.310 nan 0.000 0.547 288 I N -1.867 118.742 120.570 0.064 0.000 2.841 288 I HA 0.574 4.744 4.170 -0.000 0.000 0.298 288 I C -3.276 172.869 176.117 0.047 0.000 1.304 288 I CA -2.994 58.339 61.300 0.054 0.000 1.019 288 I CB 2.046 40.084 38.000 0.062 0.000 1.282 288 I HN 0.299 nan 8.210 nan 0.000 0.432 289 P HA 0.222 nan 4.420 nan 0.000 0.271 289 P C -0.694 176.619 177.300 0.022 0.000 1.216 289 P CA -0.271 62.843 63.100 0.025 0.000 0.776 289 P CB 0.286 31.996 31.700 0.018 0.000 0.881 290 N N 0.422 119.130 118.700 0.014 0.000 2.328 290 N HA 0.029 4.769 4.740 -0.000 0.000 0.247 290 N C -0.065 175.435 175.510 -0.016 0.000 1.165 290 N CA -0.276 52.776 53.050 0.004 0.000 0.873 290 N CB -0.173 38.319 38.487 0.009 0.000 1.125 290 N HN 0.271 nan 8.380 nan 0.000 0.513 291 D N 0.039 120.429 120.400 -0.017 0.000 2.323 291 D HA -0.013 4.627 4.640 -0.000 0.000 0.209 291 D C 0.159 176.429 176.300 -0.050 0.000 0.973 291 D CA 0.573 54.556 54.000 -0.029 0.000 0.874 291 D CB 0.284 41.072 40.800 -0.019 0.000 0.930 291 D HN 0.111 nan 8.370 nan 0.000 0.521 292 K N 0.066 120.436 120.400 -0.051 0.000 2.098 292 K HA 0.291 4.611 4.320 -0.000 0.000 0.258 292 K C -1.876 174.627 176.600 -0.162 0.000 0.973 292 K CA -2.070 54.166 56.287 -0.085 0.000 0.898 292 K CB 1.648 34.125 32.500 -0.038 0.000 1.057 292 K HN -0.182 nan 8.250 nan 0.000 0.447 293 P HA -0.032 nan 4.420 nan 0.000 0.222 293 P C -0.681 176.205 177.300 -0.690 0.000 1.153 293 P CA 1.003 63.710 63.100 -0.655 0.000 0.798 293 P CB 0.329 31.368 31.700 -1.102 0.000 0.796 294 F N -1.010 118.935 119.950 -0.009 0.000 2.611 294 F HA 0.560 5.087 4.527 -0.000 0.000 0.324 294 F C -0.002 175.788 175.800 -0.017 0.000 1.061 294 F CA -1.187 56.801 58.000 -0.020 0.000 0.954 294 F CB 1.695 40.667 39.000 -0.045 0.000 1.301 294 F HN -0.326 nan 8.300 nan 0.000 0.482 295 Q N -0.127 119.784 119.800 0.185 0.000 2.416 295 Q HA 0.342 4.682 4.340 -0.000 0.000 0.281 295 Q C -1.636 174.385 176.000 0.035 0.000 1.067 295 Q CA -0.830 55.040 55.803 0.112 0.000 0.809 295 Q CB 1.950 30.771 28.738 0.137 0.000 1.418 295 Q HN 0.678 nan 8.270 nan 0.000 0.411 296 N N 0.936 119.661 118.700 0.042 0.000 2.238 296 N HA 0.136 4.876 4.740 -0.000 0.000 0.235 296 N C -0.073 175.571 175.510 0.222 0.000 1.209 296 N CA 0.143 53.191 53.050 -0.004 0.000 0.879 296 N CB 0.717 39.169 38.487 -0.059 0.000 1.136 296 N HN 0.452 nan 8.380 nan 0.000 0.517 297 V N 0.590 120.646 119.914 0.238 0.000 2.239 297 V HA 0.035 4.155 4.120 -0.000 0.000 0.242 297 V C 0.828 177.038 176.094 0.194 0.000 1.038 297 V CA 1.176 63.587 62.300 0.185 0.000 1.002 297 V CB -0.273 31.625 31.823 0.126 0.000 0.641 297 V HN 0.403 nan 8.190 nan 0.000 0.449 298 N N -0.882 117.922 118.700 0.174 0.000 2.504 298 N HA 0.153 4.893 4.740 -0.000 0.000 0.268 298 N C 0.295 175.630 175.510 -0.291 0.000 1.184 298 N CA -0.342 52.666 53.050 -0.071 0.000 0.875 298 N CB 2.006 40.473 38.487 -0.033 0.000 1.630 298 N HN 0.269 nan 8.380 nan 0.000 0.486 299 K N 0.978 120.965 120.400 -0.687 0.000 2.366 299 K HA 0.211 4.531 4.320 -0.000 0.000 0.198 299 K C 0.515 176.996 176.600 -0.199 0.000 1.044 299 K CA 0.574 56.496 56.287 -0.609 0.000 0.973 299 K CB 0.177 32.271 32.500 -0.677 0.000 0.767 299 K HN 0.404 nan 8.250 nan 0.000 0.475 300 I N 3.268 123.752 120.570 -0.143 0.000 2.416 300 I HA 0.044 4.214 4.170 -0.000 0.000 0.288 300 I C -0.062 176.057 176.117 0.004 0.000 1.051 300 I CA -0.087 61.184 61.300 -0.048 0.000 1.375 300 I CB 1.102 39.080 38.000 -0.038 0.000 1.407 300 I HN 0.258 nan 8.210 nan 0.000 0.516 301 T N 2.663 117.242 114.554 0.042 0.000 2.853 301 T HA 0.475 4.825 4.350 -0.000 0.000 0.311 301 T C -1.284 173.487 174.700 0.119 0.000 1.307 301 T CA -0.861 61.285 62.100 0.077 0.000 1.019 301 T CB 1.721 70.627 68.868 0.063 0.000 1.264 301 T HN 0.411 nan 8.240 nan 0.000 0.497 302 Y N 0.714 121.011 120.300 -0.006 0.000 2.361 302 Y HA 0.624 5.174 4.550 -0.000 0.000 0.328 302 Y C 0.224 176.084 175.900 -0.066 0.000 1.044 302 Y CA 0.902 58.975 58.100 -0.045 0.000 1.085 302 Y CB 1.183 39.606 38.460 -0.062 0.000 1.194 302 Y HN 1.597 nan 8.280 nan 0.000 0.438 303 G N 2.713 111.063 108.800 -0.750 0.000 2.384 303 G HA2 0.277 4.237 3.960 -0.000 0.000 0.204 303 G HA3 0.277 4.237 3.960 -0.000 0.000 0.204 303 G C -1.218 173.575 174.900 -0.179 0.000 1.237 303 G CA -0.528 44.283 45.100 -0.482 0.000 1.060 303 G HN 1.370 nan 8.290 nan 0.000 0.514 304 A N -0.607 122.185 122.820 -0.047 0.000 2.376 304 A HA 0.592 4.912 4.320 -0.000 0.000 0.298 304 A C 0.414 177.999 177.584 0.001 0.000 1.271 304 A CA 0.770 52.795 52.037 -0.021 0.000 0.926 304 A CB -0.824 18.178 19.000 0.003 0.000 1.141 304 A HN 1.727 nan 8.150 nan 0.000 0.539 305 c N 3.049 121.649 118.600 -0.000 0.000 2.802 305 c HA 0.665 5.235 4.570 -0.000 0.000 0.307 305 c C -2.338 171.774 174.090 0.036 0.000 1.222 305 c CA -0.926 55.419 56.329 0.028 0.000 1.580 305 c CB 1.649 44.185 42.510 0.043 0.000 2.119 305 c HN 0.741 nan 8.230 nan 0.000 0.479 306 P HA 0.212 nan 4.420 nan 0.000 0.272 306 P C -0.718 176.660 177.300 0.131 0.000 1.230 306 P CA -0.213 62.919 63.100 0.053 0.000 0.788 306 P CB 0.470 32.198 31.700 0.046 0.000 0.949 307 K N 1.341 121.859 120.400 0.195 0.000 2.258 307 K HA 0.114 4.434 4.320 -0.000 0.000 0.264 307 K C -0.166 176.587 176.600 0.255 0.000 1.007 307 K CA -0.104 56.323 56.287 0.234 0.000 0.941 307 K CB -0.080 32.584 32.500 0.273 0.000 0.966 307 K HN 0.467 nan 8.250 nan 0.000 0.480 308 Y N 1.399 121.756 120.300 0.095 0.000 2.309 308 Y HA 0.307 4.857 4.550 -0.000 0.000 0.327 308 Y C -0.158 175.756 175.900 0.023 0.000 1.172 308 Y CA -0.473 57.666 58.100 0.064 0.000 1.280 308 Y CB 0.784 39.269 38.460 0.040 0.000 1.234 308 Y HN 0.323 nan 8.280 nan 0.000 0.512 309 V N 3.086 122.546 119.914 -0.756 0.000 3.049 309 V HA 0.455 4.575 4.120 -0.000 0.000 0.309 309 V C 0.197 175.849 176.094 -0.736 0.000 1.148 309 V CA -1.298 60.656 62.300 -0.577 0.000 0.990 309 V CB 2.158 33.714 31.823 -0.446 0.000 1.039 309 V HN 0.840 nan 8.190 nan 0.000 0.430 310 K N 0.318 120.476 120.400 -0.403 0.000 2.057 310 K HA -0.015 4.305 4.320 -0.000 0.000 0.206 310 K C 0.643 177.124 176.600 -0.197 0.000 1.050 310 K CA 1.152 57.292 56.287 -0.245 0.000 0.935 310 K CB -0.091 32.346 32.500 -0.104 0.000 0.715 310 K HN 0.893 nan 8.250 nan 0.000 0.439 311 Q N 1.928 121.613 119.800 -0.192 0.000 2.286 311 Q HA -0.056 4.284 4.340 -0.000 0.000 0.290 311 Q C 0.170 176.101 176.000 -0.115 0.000 1.049 311 Q CA 0.570 56.294 55.803 -0.132 0.000 0.923 311 Q CB -0.037 28.620 28.738 -0.135 0.000 1.183 311 Q HN 0.339 nan 8.270 nan 0.000 0.383 312 N N 0.673 119.334 118.700 -0.065 0.000 2.336 312 N HA -0.021 4.719 4.740 -0.000 0.000 0.189 312 N C -0.490 175.010 175.510 -0.016 0.000 1.113 312 N CA 0.163 53.190 53.050 -0.037 0.000 0.858 312 N CB 0.980 39.457 38.487 -0.017 0.000 0.970 312 N HN 0.550 nan 8.380 nan 0.000 0.471 313 T N -0.370 114.173 114.554 -0.018 0.000 3.579 313 T HA 0.388 4.738 4.350 -0.000 0.000 0.360 313 T C -2.292 172.411 174.700 0.005 0.000 1.285 313 T CA -0.755 61.347 62.100 0.002 0.000 1.127 313 T CB 0.320 69.190 68.868 0.003 0.000 1.244 313 T HN 0.097 nan 8.240 nan 0.000 0.476 314 L N 4.933 126.175 121.223 0.032 0.000 2.441 314 L HA 0.564 4.904 4.340 -0.000 0.000 0.270 314 L C -0.448 176.453 176.870 0.053 0.000 0.973 314 L CA -1.023 53.843 54.840 0.043 0.000 0.842 314 L CB 1.942 44.046 42.059 0.075 0.000 1.239 314 L HN 0.422 nan 8.230 nan 0.000 0.406 315 K N 3.731 124.151 120.400 0.034 0.000 2.227 315 K HA 0.440 4.759 4.320 -0.000 0.000 0.280 315 K C -0.726 175.892 176.600 0.031 0.000 1.041 315 K CA -0.700 55.604 56.287 0.028 0.000 0.905 315 K CB 2.296 34.807 32.500 0.017 0.000 1.068 315 K HN 0.296 nan 8.250 nan 0.000 0.470 316 L N 2.573 123.813 121.223 0.029 0.000 2.272 316 L HA 0.344 4.684 4.340 -0.000 0.000 0.289 316 L C -0.216 176.665 176.870 0.017 0.000 1.032 316 L CA -0.225 54.631 54.840 0.026 0.000 0.810 316 L CB 1.108 43.181 42.059 0.023 0.000 1.205 316 L HN 0.743 nan 8.230 nan 0.000 0.422 317 A N 3.093 125.923 122.820 0.016 0.000 2.498 317 A HA 0.432 4.752 4.320 -0.000 0.000 0.239 317 A C 0.825 178.417 177.584 0.013 0.000 1.068 317 A CA 0.570 52.615 52.037 0.013 0.000 0.766 317 A CB -0.153 18.854 19.000 0.011 0.000 1.003 317 A HN 0.922 nan 8.150 nan 0.000 0.497 318 T N -0.655 113.908 114.554 0.016 0.000 3.275 318 T HA 0.557 4.907 4.350 -0.000 0.000 0.298 318 T C 0.339 175.057 174.700 0.030 0.000 0.988 318 T CA 0.316 62.427 62.100 0.019 0.000 0.936 318 T CB -0.149 68.729 68.868 0.016 0.000 1.159 318 T HN 1.633 nan 8.240 nan 0.000 0.519 319 G N 1.634 110.455 108.800 0.034 0.000 2.649 319 G HA2 0.588 4.548 3.960 -0.000 0.000 0.290 319 G HA3 0.588 4.548 3.960 -0.000 0.000 0.290 319 G C -0.443 174.486 174.900 0.049 0.000 1.426 319 G CA -1.143 43.994 45.100 0.061 0.000 0.794 319 G HN 0.497 nan 8.290 nan 0.000 0.483 320 M N -0.265 119.378 119.600 0.072 0.000 1.868 320 M HA 0.510 4.990 4.480 -0.000 0.000 0.227 320 M C 0.712 177.020 176.300 0.013 0.000 1.334 320 M CA -0.278 55.035 55.300 0.023 0.000 0.974 320 M CB 0.514 33.114 32.600 -0.001 0.000 1.303 320 M HN 0.508 nan 8.290 nan 0.000 0.446 321 R N 1.294 121.779 120.500 -0.024 0.000 2.543 321 R HA 0.088 4.428 4.340 -0.000 0.000 0.277 321 R C -0.996 175.314 176.300 0.017 0.000 1.074 321 R CA -0.147 55.947 56.100 -0.011 0.000 1.076 321 R CB 0.352 30.637 30.300 -0.025 0.000 0.993 321 R HN 0.816 nan 8.270 nan 0.000 0.459 322 N N 2.940 121.656 118.700 0.026 0.000 2.420 322 N HA 0.164 4.904 4.740 -0.000 0.000 0.249 322 N C -1.624 173.920 175.510 0.057 0.000 1.033 322 N CA -0.358 52.717 53.050 0.041 0.000 0.944 322 N CB 1.260 39.751 38.487 0.006 0.000 1.113 322 N HN 0.278 nan 8.380 nan 0.000 0.502 323 V N 6.372 126.353 119.914 0.112 0.000 2.313 323 V HA 0.324 4.444 4.120 -0.000 0.000 0.278 323 V C -1.341 174.795 176.094 0.070 0.000 1.017 323 V CA -1.276 61.084 62.300 0.100 0.000 0.823 323 V CB 0.957 32.874 31.823 0.157 0.000 1.010 323 V HN 0.693 nan 8.190 nan 0.000 0.443 324 P HA 0.099 nan 4.420 nan 0.000 0.213 324 P C 0.317 177.621 177.300 0.006 0.000 1.090 324 P CA 1.732 64.840 63.100 0.013 0.000 0.875 324 P CB 0.272 31.978 31.700 0.009 0.000 0.553 325 E N -3.311 116.891 120.200 0.003 0.000 2.391 325 E HA 0.496 4.846 4.350 -0.000 0.000 0.238 325 E C -0.145 176.455 176.600 -0.001 0.000 1.153 325 E CA 0.401 56.800 56.400 -0.002 0.000 0.530 325 E CB -1.173 28.521 29.700 -0.010 0.000 1.038 325 E HN 0.543 nan 8.360 nan 0.000 0.416 326 K N 0.000 120.401 120.400 0.002 0.000 2.780 326 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 326 K CA 0.000 56.288 56.287 0.002 0.000 0.838 326 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 326 K HN 0.000 nan 8.250 nan 0.000 0.543