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 1zy8_1_B DATA FIRST_RESID 1 DATA SEQUENCE ADQPIDADVT VIGSGPGGYV AAIKAAQLGF KTVCIEKNET LGGTCLNVGC DATA SEQUENCE IPSKALLNNS HYYHMAHGKD FASRGIEMSE VRLNLDKMME QKSTAVKALT DATA SEQUENCE GGIAHLFKQN KVVHVNGYGK ITGKNQVTAT KADGGTQVID TKNILIATGS DATA SEQUENCE EVTPFPGITI DEDTIVSSTG ALSLKKVPEK MVVIGAGVIG VELGSVWQRL DATA SEQUENCE GADVTAVEFL GHVGGVGIDM EISKNFQRIL QKQGFKFKLN TKVTGATKKS DATA SEQUENCE DGKIDVSIEA ASGGKAEVIT CDVLLVCIGR RPFTKNLGLE ELGIELDPRG DATA SEQUENCE RIPVNTRFQT KIPNIYAIGD VVAGPMLAHK AEDEGIICVE GMAGGAVHID DATA SEQUENCE YNCVPSVIYT HPEVAWVGKS EEQLKEEGIE YKVGKFPFAA NSRAKTNADT DATA SEQUENCE DGMVKILGQK STDRVLGAHI LGPGAGEMVN EAALALEYGA SCEDIARVCH DATA SEQUENCE AHPTLSEAFR EANLAASFGK SINF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.583 177.584 -0.001 0.000 1.274 1 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 1 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 2 D N 2.387 122.786 120.400 -0.001 0.000 2.512 2 D HA 0.181 4.821 4.640 -0.000 0.000 0.283 2 D C 0.052 176.352 176.300 0.001 0.000 1.456 2 D CA 1.121 55.121 54.000 -0.001 0.000 1.224 2 D CB -0.041 40.760 40.800 0.001 0.000 1.140 2 D HN 0.479 nan 8.370 nan 0.000 0.553 3 Q N 2.343 122.143 119.800 0.001 0.000 2.379 3 Q HA 0.283 4.623 4.340 -0.000 0.000 0.278 3 Q C -2.810 173.191 176.000 0.002 0.000 1.068 3 Q CA -1.887 53.917 55.803 0.002 0.000 0.816 3 Q CB 2.997 31.736 28.738 0.001 0.000 1.387 3 Q HN 0.043 nan 8.270 nan 0.000 0.413 4 P HA 0.050 nan 4.420 nan 0.000 0.266 4 P C -0.430 176.873 177.300 0.004 0.000 1.186 4 P CA 0.579 63.682 63.100 0.005 0.000 0.767 4 P CB 0.367 32.070 31.700 0.006 0.000 0.820 5 I N -1.259 119.314 120.570 0.005 0.000 3.174 5 I HA 0.647 4.817 4.170 -0.000 0.000 0.313 5 I C -1.014 175.107 176.117 0.007 0.000 1.155 5 I CA -1.329 59.974 61.300 0.005 0.000 0.977 5 I CB 2.606 40.607 38.000 0.002 0.000 1.248 5 I HN 0.148 nan 8.210 nan 0.000 0.453 6 D N 1.181 121.586 120.400 0.009 0.000 2.581 6 D HA 0.882 5.522 4.640 -0.000 0.000 0.232 6 D C -0.893 175.416 176.300 0.015 0.000 1.143 6 D CA -0.627 53.381 54.000 0.013 0.000 0.881 6 D CB 2.143 42.953 40.800 0.016 0.000 1.500 6 D HN 1.025 nan 8.370 nan 0.000 0.458 7 A N -0.006 122.826 122.820 0.019 0.000 2.599 7 A HA 0.513 4.833 4.320 -0.000 0.000 0.290 7 A C -0.592 177.014 177.584 0.037 0.000 1.101 7 A CA -0.669 51.383 52.037 0.025 0.000 0.674 7 A CB 1.287 20.291 19.000 0.006 0.000 1.277 7 A HN 0.471 nan 8.150 nan 0.000 0.419 8 D N -0.748 119.690 120.400 0.063 0.000 2.197 8 D HA 0.137 4.777 4.640 -0.000 0.000 0.212 8 D C 0.760 177.031 176.300 -0.048 0.000 0.963 8 D CA 2.256 56.309 54.000 0.088 0.000 0.864 8 D CB 0.477 41.464 40.800 0.311 0.000 1.009 8 D HN 0.726 nan 8.370 nan 0.000 0.479 9 V N -0.239 119.611 119.914 -0.108 0.000 2.656 9 V HA 0.633 4.753 4.120 -0.000 0.000 0.307 9 V C -0.780 175.257 176.094 -0.095 0.000 1.051 9 V CA -0.433 61.762 62.300 -0.176 0.000 0.893 9 V CB 2.094 33.709 31.823 -0.347 0.000 0.999 9 V HN -0.133 nan 8.190 nan 0.000 0.426 10 T N 4.931 119.444 114.554 -0.068 0.000 2.792 10 T HA 0.637 4.987 4.350 -0.000 0.000 0.280 10 T C -0.467 174.211 174.700 -0.037 0.000 0.990 10 T CA -0.379 61.697 62.100 -0.041 0.000 0.960 10 T CB 1.449 70.310 68.868 -0.012 0.000 0.939 10 T HN 0.760 nan 8.240 nan 0.000 0.439 11 V N 4.856 124.748 119.914 -0.036 0.000 2.398 11 V HA 0.449 4.569 4.120 -0.000 0.000 0.286 11 V C 0.047 176.151 176.094 0.017 0.000 1.026 11 V CA -0.859 61.430 62.300 -0.018 0.000 0.868 11 V CB 1.332 33.137 31.823 -0.029 0.000 0.982 11 V HN 0.815 nan 8.190 nan 0.000 0.443 12 I N 4.984 125.572 120.570 0.030 0.000 2.301 12 I HA 0.676 4.846 4.170 -0.000 0.000 0.292 12 I C 0.815 176.964 176.117 0.053 0.000 1.046 12 I CA 0.317 61.645 61.300 0.047 0.000 1.282 12 I CB 0.769 38.800 38.000 0.052 0.000 1.409 12 I HN 0.900 nan 8.210 nan 0.000 0.484 13 G N 4.228 113.068 108.800 0.066 0.000 2.617 13 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.686 13 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.686 13 G C -0.325 174.647 174.900 0.120 0.000 1.214 13 G CA -0.326 44.817 45.100 0.072 0.000 0.796 13 G HN 0.776 nan 8.290 nan 0.000 0.654 14 S N 0.028 115.810 115.700 0.137 0.000 2.694 14 S HA 0.658 5.128 4.470 -0.000 0.000 0.232 14 S C 0.849 175.590 174.600 0.235 0.000 1.017 14 S CA 0.659 59.000 58.200 0.234 0.000 1.139 14 S CB 0.538 63.862 63.200 0.207 0.000 1.247 14 S HN 2.046 nan 8.310 nan 0.000 0.452 15 G N 1.836 110.738 108.800 0.171 0.000 2.525 15 G HA2 0.666 4.626 3.960 -0.000 0.000 0.287 15 G HA3 0.666 4.626 3.960 -0.000 0.000 0.287 15 G C -3.048 171.944 174.900 0.153 0.000 1.350 15 G CA -2.107 43.074 45.100 0.136 0.000 1.039 15 G HN 0.330 nan 8.290 nan 0.000 0.513 16 P HA 0.186 nan 4.420 nan 0.000 0.268 16 P C 1.023 178.184 177.300 -0.231 0.000 1.208 16 P CA 1.315 64.315 63.100 -0.167 0.000 0.777 16 P CB 0.858 32.514 31.700 -0.073 0.000 0.875 17 G N 1.494 110.073 108.800 -0.368 0.000 2.435 17 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.245 17 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.245 17 G C 1.315 176.107 174.900 -0.181 0.000 1.073 17 G CA 0.622 45.576 45.100 -0.243 0.000 0.638 17 G HN 0.763 nan 8.290 nan 0.000 0.521 18 G N 0.100 108.831 108.800 -0.115 0.000 2.408 18 G HA2 0.237 4.197 3.960 -0.000 0.000 0.213 18 G HA3 0.237 4.197 3.960 -0.000 0.000 0.213 18 G C 1.520 176.462 174.900 0.070 0.000 1.177 18 G CA 1.453 46.549 45.100 -0.007 0.000 0.802 18 G HN 1.126 nan 8.290 nan 0.000 0.533 19 Y N 0.265 120.621 120.300 0.094 0.000 2.503 19 Y HA 0.363 4.913 4.550 -0.000 0.000 0.278 19 Y C 2.132 178.145 175.900 0.188 0.000 1.111 19 Y CA 0.124 58.366 58.100 0.237 0.000 1.270 19 Y CB -0.443 38.111 38.460 0.157 0.000 1.063 19 Y HN -0.023 nan 8.280 nan 0.000 0.548 20 V N 1.377 120.991 119.914 -0.500 0.000 2.323 20 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 20 V C 2.845 178.883 176.094 -0.094 0.000 1.041 20 V CA 1.846 63.952 62.300 -0.324 0.000 1.025 20 V CB -1.310 30.220 31.823 -0.488 0.000 0.656 20 V HN 0.577 nan 8.190 nan 0.000 0.451 21 A N 0.010 122.761 122.820 -0.114 0.000 1.940 21 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 21 A C 2.389 179.954 177.584 -0.032 0.000 1.176 21 A CA 2.127 54.115 52.037 -0.082 0.000 0.631 21 A CB -0.699 18.228 19.000 -0.121 0.000 0.814 21 A HN 0.560 nan 8.150 nan 0.000 0.446 22 A N 0.299 123.132 122.820 0.021 0.000 1.828 22 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 22 A C 2.087 179.697 177.584 0.043 0.000 1.203 22 A CA 1.536 53.576 52.037 0.005 0.000 0.614 22 A CB -0.823 18.171 19.000 -0.010 0.000 0.844 22 A HN 0.472 nan 8.150 nan 0.000 0.445 23 I N -0.409 120.267 120.570 0.177 0.000 2.091 23 I HA -0.372 3.798 4.170 -0.000 0.000 0.240 23 I C 2.604 178.776 176.117 0.093 0.000 1.046 23 I CA 2.192 63.593 61.300 0.168 0.000 1.306 23 I CB -0.353 37.799 38.000 0.252 0.000 1.018 23 I HN 0.327 nan 8.210 nan 0.000 0.404 24 K N 1.476 121.915 120.400 0.065 0.000 2.001 24 K HA -0.212 4.108 4.320 -0.000 0.000 0.214 24 K C 2.054 178.704 176.600 0.082 0.000 1.050 24 K CA 2.190 58.507 56.287 0.050 0.000 0.934 24 K CB -0.833 31.677 32.500 0.016 0.000 0.718 24 K HN 0.334 nan 8.250 nan 0.000 0.443 25 A N 0.539 123.408 122.820 0.083 0.000 1.903 25 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 25 A C 2.426 180.162 177.584 0.252 0.000 1.191 25 A CA 2.872 55.028 52.037 0.199 0.000 0.638 25 A CB -1.350 17.666 19.000 0.027 0.000 0.823 25 A HN 0.503 nan 8.150 nan 0.000 0.451 26 A N 0.135 123.028 122.820 0.122 0.000 1.908 26 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 26 A C 2.110 179.728 177.584 0.056 0.000 1.181 26 A CA 1.819 53.904 52.037 0.080 0.000 0.627 26 A CB -0.767 18.255 19.000 0.036 0.000 0.818 26 A HN 0.796 nan 8.150 nan 0.000 0.445 27 Q N -1.014 118.819 119.800 0.056 0.000 2.436 27 Q HA 0.063 4.403 4.340 -0.000 0.000 0.209 27 Q C 0.921 176.925 176.000 0.006 0.000 0.965 27 Q CA 0.545 56.365 55.803 0.029 0.000 0.910 27 Q CB -0.202 28.554 28.738 0.031 0.000 0.980 27 Q HN 0.440 nan 8.270 nan 0.000 0.491 28 L N 0.069 121.303 121.223 0.017 0.000 2.592 28 L HA 0.263 4.603 4.340 -0.000 0.000 0.227 28 L C 1.121 177.860 176.870 -0.218 0.000 1.127 28 L CA 1.228 56.028 54.840 -0.066 0.000 0.884 28 L CB -0.272 41.779 42.059 -0.013 0.000 1.065 28 L HN 0.464 nan 8.230 nan 0.000 0.457 29 G N -1.014 107.693 108.800 -0.155 0.000 2.140 29 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.211 29 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.211 29 G C -0.022 174.711 174.900 -0.279 0.000 1.013 29 G CA -0.523 44.461 45.100 -0.194 0.000 0.705 29 G HN 0.115 nan 8.290 nan 0.000 0.508 30 F N 0.604 120.538 119.950 -0.026 0.000 2.396 30 F HA 0.475 5.002 4.527 -0.000 0.000 0.343 30 F C 1.025 176.806 175.800 -0.032 0.000 1.104 30 F CA -0.690 57.292 58.000 -0.029 0.000 1.161 30 F CB 1.260 40.237 39.000 -0.039 0.000 1.146 30 F HN 0.045 nan 8.300 nan 0.000 0.522 31 K N 2.667 123.162 120.400 0.158 0.000 2.336 31 K HA 0.146 4.466 4.320 -0.000 0.000 0.290 31 K C -0.090 176.549 176.600 0.065 0.000 1.067 31 K CA -0.017 56.317 56.287 0.078 0.000 0.962 31 K CB 0.066 32.596 32.500 0.051 0.000 1.008 31 K HN 0.820 nan 8.250 nan 0.000 0.467 32 T N 0.566 115.135 114.554 0.024 0.000 2.940 32 T HA 0.544 4.894 4.350 -0.000 0.000 0.288 32 T C -0.840 173.816 174.700 -0.072 0.000 1.033 32 T CA -0.780 61.304 62.100 -0.027 0.000 1.033 32 T CB 1.561 70.403 68.868 -0.043 0.000 1.079 32 T HN 0.185 nan 8.240 nan 0.000 0.496 33 V N 1.850 121.713 119.914 -0.084 0.000 2.623 33 V HA 0.536 4.655 4.120 -0.000 0.000 0.304 33 V C -0.507 175.532 176.094 -0.092 0.000 1.054 33 V CA -1.027 61.224 62.300 -0.083 0.000 0.882 33 V CB 1.550 33.351 31.823 -0.037 0.000 1.002 33 V HN 1.232 nan 8.190 nan 0.000 0.424 34 C N 7.211 126.441 119.300 -0.116 0.000 2.319 34 C HA 0.730 5.190 4.460 -0.000 0.000 0.323 34 C C -0.173 174.870 174.990 0.087 0.000 1.277 34 C CA -0.455 58.531 59.018 -0.052 0.000 1.517 34 C CB -0.694 26.937 27.740 -0.182 0.000 2.206 34 C HN 0.790 nan 8.230 nan 0.000 0.486 35 I N 4.689 125.310 120.570 0.085 0.000 2.385 35 I HA 0.513 4.683 4.170 -0.000 0.000 0.294 35 I C -0.265 175.930 176.117 0.130 0.000 0.988 35 I CA 0.244 61.608 61.300 0.106 0.000 1.265 35 I CB 1.544 39.582 38.000 0.063 0.000 1.388 35 I HN 0.652 nan 8.210 nan 0.000 0.480 36 E N 5.011 125.306 120.200 0.159 0.000 2.278 36 E HA 0.264 4.614 4.350 -0.000 0.000 0.272 36 E C -0.077 176.560 176.600 0.061 0.000 0.890 36 E CA -0.796 55.680 56.400 0.127 0.000 0.770 36 E CB 1.376 31.206 29.700 0.216 0.000 1.212 36 E HN 0.529 nan 8.360 nan 0.000 0.415 37 K N 2.830 123.208 120.400 -0.036 0.000 2.097 37 K HA 0.026 4.346 4.320 -0.000 0.000 0.205 37 K C 0.144 176.733 176.600 -0.018 0.000 1.050 37 K CA 0.644 56.895 56.287 -0.061 0.000 0.938 37 K CB -0.361 31.992 32.500 -0.244 0.000 0.718 37 K HN 0.387 nan 8.250 nan 0.000 0.442 38 N N 1.370 120.057 118.700 -0.022 0.000 2.371 38 N HA -0.038 4.702 4.740 -0.000 0.000 0.243 38 N C 0.360 175.887 175.510 0.029 0.000 1.287 38 N CA -0.366 52.681 53.050 -0.005 0.000 0.911 38 N CB 0.622 39.097 38.487 -0.020 0.000 1.142 38 N HN 0.147 nan 8.380 nan 0.000 0.451 39 E N -0.812 119.401 120.200 0.021 0.000 2.268 39 E HA -0.092 4.258 4.350 -0.000 0.000 0.195 39 E C 0.689 177.315 176.600 0.042 0.000 0.995 39 E CA 0.908 57.327 56.400 0.032 0.000 0.836 39 E CB -0.380 29.331 29.700 0.018 0.000 0.763 39 E HN 0.663 nan 8.360 nan 0.000 0.491 40 T N -2.062 112.504 114.554 0.021 0.000 2.930 40 T HA 0.672 5.022 4.350 -0.000 0.000 0.290 40 T C 0.058 174.748 174.700 -0.016 0.000 1.052 40 T CA -1.093 61.008 62.100 0.001 0.000 1.017 40 T CB 1.237 70.087 68.868 -0.029 0.000 1.137 40 T HN -0.018 nan 8.240 nan 0.000 0.511 41 L N 0.493 121.666 121.223 -0.083 0.000 2.431 41 L HA 0.689 5.029 4.340 -0.000 0.000 0.260 41 L C 1.633 178.410 176.870 -0.155 0.000 1.098 41 L CA -0.219 54.534 54.840 -0.144 0.000 0.800 41 L CB 0.729 42.597 42.059 -0.318 0.000 1.210 41 L HN 1.154 nan 8.230 nan 0.000 0.465 42 G N -0.760 107.962 108.800 -0.129 0.000 2.336 42 G HA2 0.117 4.077 3.960 -0.000 0.000 0.194 42 G HA3 0.117 4.077 3.960 -0.000 0.000 0.194 42 G C 0.554 175.472 174.900 0.031 0.000 0.999 42 G CA -0.165 44.891 45.100 -0.075 0.000 0.669 42 G HN 1.420 nan 8.290 nan 0.000 0.482 43 G N -0.756 108.052 108.800 0.014 0.000 2.569 43 G HA2 0.084 4.044 3.960 -0.000 0.000 0.259 43 G HA3 0.084 4.044 3.960 -0.000 0.000 0.259 43 G C 1.340 176.233 174.900 -0.011 0.000 1.263 43 G CA 2.184 47.289 45.100 0.009 0.000 0.928 43 G HN 1.985 nan 8.290 nan 0.000 0.572 44 T N -2.515 112.031 114.554 -0.013 0.000 2.896 44 T HA -0.041 4.309 4.350 -0.000 0.000 0.263 44 T C 2.580 177.276 174.700 -0.007 0.000 1.050 44 T CA 2.410 64.499 62.100 -0.018 0.000 1.140 44 T CB -0.792 68.062 68.868 -0.023 0.000 0.877 44 T HN 1.654 nan 8.240 nan 0.000 0.457 45 C N 1.149 120.450 119.300 0.003 0.000 2.376 45 C HA -0.069 4.391 4.460 -0.000 0.000 0.275 45 C C 2.526 177.514 174.990 -0.004 0.000 1.200 45 C CA 1.323 60.344 59.018 0.006 0.000 1.756 45 C CB -1.641 26.110 27.740 0.019 0.000 2.050 45 C HN 0.663 nan 8.230 nan 0.000 0.460 46 L N 1.437 122.658 121.223 -0.003 0.000 2.179 46 L HA 0.100 4.440 4.340 -0.000 0.000 0.208 46 L C 2.127 178.979 176.870 -0.031 0.000 1.096 46 L CA 1.909 56.736 54.840 -0.023 0.000 0.779 46 L CB -1.207 40.831 42.059 -0.035 0.000 0.922 46 L HN 0.450 nan 8.230 nan 0.000 0.443 47 N N -0.300 118.384 118.700 -0.028 0.000 2.258 47 N HA 0.015 4.755 4.740 -0.000 0.000 0.183 47 N C 1.073 176.571 175.510 -0.019 0.000 1.029 47 N CA 1.678 54.711 53.050 -0.028 0.000 0.857 47 N CB 0.356 38.824 38.487 -0.031 0.000 1.008 47 N HN 0.355 nan 8.380 nan 0.000 0.433 48 V N -2.274 117.631 119.914 -0.015 0.000 2.915 48 V HA 0.677 4.797 4.120 -0.000 0.000 0.364 48 V C 0.405 176.502 176.094 0.004 0.000 1.354 48 V CA -0.266 62.032 62.300 -0.004 0.000 1.213 48 V CB 0.438 32.257 31.823 -0.007 0.000 1.268 48 V HN 0.193 nan 8.190 nan 0.000 0.557 49 G N -1.270 107.530 108.800 -0.001 0.000 3.354 49 G HA2 0.186 4.146 3.960 -0.000 0.000 0.174 49 G HA3 0.186 4.146 3.960 -0.000 0.000 0.174 49 G C 0.736 175.634 174.900 -0.003 0.000 1.140 49 G CA 0.539 45.643 45.100 0.007 0.000 0.897 49 G HN 0.094 nan 8.290 nan 0.000 0.685 50 C N 0.204 119.499 119.300 -0.007 0.000 2.271 50 C HA -0.191 4.269 4.460 -0.000 0.000 0.269 50 C C 2.855 177.798 174.990 -0.079 0.000 1.131 50 C CA 1.451 60.446 59.018 -0.039 0.000 1.794 50 C CB -1.020 26.703 27.740 -0.028 0.000 1.930 50 C HN 0.408 nan 8.230 nan 0.000 0.417 51 I N 1.338 121.868 120.570 -0.067 0.000 2.069 51 I HA -0.127 4.043 4.170 -0.000 0.000 0.237 51 I C -0.200 175.876 176.117 -0.069 0.000 1.053 51 I CA 2.069 63.324 61.300 -0.076 0.000 1.311 51 I CB -2.979 34.986 38.000 -0.057 0.000 1.030 51 I HN 0.291 nan 8.210 nan 0.000 0.398 52 P HA -0.127 nan 4.420 nan 0.000 0.218 52 P C 2.009 179.284 177.300 -0.042 0.000 1.148 52 P CA 2.084 65.162 63.100 -0.037 0.000 0.822 52 P CB -0.072 31.618 31.700 -0.018 0.000 0.784 53 S N -1.561 114.115 115.700 -0.040 0.000 2.414 53 S HA -0.035 4.435 4.470 -0.000 0.000 0.227 53 S C 1.972 176.532 174.600 -0.066 0.000 1.022 53 S CA 0.832 59.011 58.200 -0.035 0.000 0.958 53 S CB -0.578 62.623 63.200 0.003 0.000 0.797 53 S HN -0.131 nan 8.310 nan 0.000 0.493 54 K N 2.054 122.389 120.400 -0.107 0.000 2.097 54 K HA 0.319 4.639 4.320 -0.000 0.000 0.205 54 K C 2.278 178.816 176.600 -0.105 0.000 1.050 54 K CA 1.245 57.439 56.287 -0.154 0.000 0.938 54 K CB -1.110 31.241 32.500 -0.247 0.000 0.718 54 K HN 0.464 nan 8.250 nan 0.000 0.442 55 A N 0.504 123.274 122.820 -0.084 0.000 1.883 55 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 55 A C 2.131 179.676 177.584 -0.065 0.000 1.186 55 A CA 1.610 53.611 52.037 -0.060 0.000 0.624 55 A CB -0.700 18.271 19.000 -0.049 0.000 0.822 55 A HN 0.260 nan 8.150 nan 0.000 0.444 56 L N -1.105 120.063 121.223 -0.092 0.000 2.109 56 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 56 L C 2.450 179.239 176.870 -0.135 0.000 1.086 56 L CA 0.630 55.385 54.840 -0.142 0.000 0.760 56 L CB -0.477 41.453 42.059 -0.216 0.000 0.910 56 L HN 0.319 nan 8.230 nan 0.000 0.437 57 L N -0.162 121.003 121.223 -0.095 0.000 2.141 57 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 57 L C 2.436 179.269 176.870 -0.062 0.000 1.094 57 L CA 1.267 56.071 54.840 -0.059 0.000 0.763 57 L CB -0.539 41.512 42.059 -0.013 0.000 0.908 57 L HN 0.391 nan 8.230 nan 0.000 0.437 58 N N -0.125 118.528 118.700 -0.078 0.000 2.251 58 N HA -0.124 4.616 4.740 -0.000 0.000 0.181 58 N C 1.509 176.970 175.510 -0.081 0.000 1.019 58 N CA 1.001 53.981 53.050 -0.116 0.000 0.862 58 N CB 0.074 38.522 38.487 -0.064 0.000 0.992 58 N HN 0.451 nan 8.380 nan 0.000 0.429 59 N N 0.231 118.931 118.700 -0.001 0.000 2.106 59 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 59 N C 1.897 177.434 175.510 0.045 0.000 1.029 59 N CA 1.515 54.609 53.050 0.074 0.000 0.848 59 N CB -0.094 38.404 38.487 0.018 0.000 1.007 59 N HN 0.246 nan 8.380 nan 0.000 0.423 60 S N 0.424 116.102 115.700 -0.037 0.000 2.419 60 S HA -0.210 4.260 4.470 -0.000 0.000 0.233 60 S C 1.827 176.483 174.600 0.094 0.000 1.016 60 S CA 1.099 59.290 58.200 -0.015 0.000 0.974 60 S CB -0.447 62.677 63.200 -0.126 0.000 0.786 60 S HN 0.436 nan 8.310 nan 0.000 0.492 61 H N 0.404 119.426 119.070 -0.079 0.000 2.389 61 H HA -0.020 4.536 4.556 -0.000 0.000 0.299 61 H C 1.443 176.702 175.328 -0.114 0.000 1.081 61 H CA 1.878 57.858 56.048 -0.113 0.000 1.345 61 H CB -0.618 28.965 29.762 -0.299 0.000 1.393 61 H HN 0.499 nan 8.280 nan 0.000 0.520 62 Y N -1.188 119.011 120.300 -0.168 0.000 2.421 62 Y HA -0.129 4.421 4.550 -0.000 0.000 0.292 62 Y C 2.157 177.920 175.900 -0.228 0.000 1.136 62 Y CA 0.980 58.920 58.100 -0.267 0.000 1.255 62 Y CB -0.841 37.564 38.460 -0.092 0.000 0.991 62 Y HN 0.316 nan 8.280 nan 0.000 0.552 63 Y N 0.006 120.272 120.300 -0.056 0.000 2.133 63 Y HA -0.261 4.289 4.550 -0.000 0.000 0.287 63 Y C 2.831 178.685 175.900 -0.076 0.000 1.134 63 Y CA 2.162 60.219 58.100 -0.071 0.000 1.133 63 Y CB -0.850 37.581 38.460 -0.048 0.000 0.987 63 Y HN 0.227 nan 8.280 nan 0.000 0.502 64 H N -0.473 118.563 119.070 -0.057 0.000 2.518 64 H HA -0.135 4.421 4.556 -0.000 0.000 0.292 64 H C 1.744 176.945 175.328 -0.213 0.000 1.068 64 H CA 1.996 57.989 56.048 -0.092 0.000 1.275 64 H CB -0.181 29.599 29.762 0.031 0.000 1.375 64 H HN 0.403 nan 8.280 nan 0.000 0.563 65 M N -1.355 117.930 119.600 -0.526 0.000 2.325 65 M HA 0.125 4.605 4.480 -0.000 0.000 0.265 65 M C 2.421 178.206 176.300 -0.859 0.000 1.094 65 M CA 1.035 55.917 55.300 -0.696 0.000 1.161 65 M CB 0.216 32.370 32.600 -0.744 0.000 1.358 65 M HN 0.390 nan 8.290 nan 0.000 0.446 66 A N -1.406 120.885 122.820 -0.881 0.000 2.072 66 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 66 A C 1.671 179.045 177.584 -0.349 0.000 1.156 66 A CA 0.948 52.555 52.037 -0.716 0.000 0.701 66 A CB -0.662 18.056 19.000 -0.469 0.000 0.816 66 A HN 0.538 nan 8.150 nan 0.000 0.458 67 H N -0.598 118.153 119.070 -0.531 0.000 2.487 67 H HA 0.390 4.946 4.556 -0.000 0.000 0.290 67 H C 0.497 175.636 175.328 -0.316 0.000 1.081 67 H CA 0.700 56.461 56.048 -0.478 0.000 1.116 67 H CB -0.204 29.012 29.762 -0.910 0.000 1.560 67 H HN 0.434 nan 8.280 nan 0.000 0.548 68 G N 0.057 108.662 108.800 -0.326 0.000 3.058 68 G HA2 0.138 4.098 3.960 -0.000 0.000 0.282 68 G HA3 0.138 4.098 3.960 -0.000 0.000 0.282 68 G C 0.402 175.187 174.900 -0.192 0.000 1.248 68 G CA -0.553 44.389 45.100 -0.265 0.000 0.822 68 G HN 0.172 nan 8.290 nan 0.000 0.579 69 K N -0.151 120.165 120.400 -0.139 0.000 2.418 69 K HA 0.096 4.416 4.320 -0.000 0.000 0.195 69 K C 0.857 177.437 176.600 -0.033 0.000 1.035 69 K CA 0.807 57.053 56.287 -0.069 0.000 1.003 69 K CB 0.191 32.669 32.500 -0.036 0.000 0.793 69 K HN 0.309 nan 8.250 nan 0.000 0.494 70 D N 1.414 121.778 120.400 -0.061 0.000 2.088 70 D HA -0.128 4.512 4.640 -0.000 0.000 0.196 70 D C 1.782 178.193 176.300 0.185 0.000 0.983 70 D CA 1.248 55.270 54.000 0.037 0.000 0.846 70 D CB -0.205 40.592 40.800 -0.004 0.000 0.992 70 D HN 0.062 nan 8.370 nan 0.000 0.448 71 F N 1.652 121.554 119.950 -0.079 0.000 2.043 71 F HA -0.246 4.281 4.527 0.000 0.000 0.297 71 F C 2.643 178.412 175.800 -0.052 0.000 1.118 71 F CA 0.890 58.854 58.000 -0.060 0.000 1.202 71 F CB -1.411 37.548 39.000 -0.068 0.000 0.965 71 F HN -0.051 nan 8.300 nan 0.000 0.482 72 A N -0.199 122.705 122.820 0.140 0.000 1.971 72 A HA -0.293 4.027 4.320 -0.000 0.000 0.222 72 A C 2.333 179.935 177.584 0.030 0.000 1.182 72 A CA 2.796 54.863 52.037 0.050 0.000 0.649 72 A CB -1.261 17.745 19.000 0.011 0.000 0.818 72 A HN 0.471 nan 8.150 nan 0.000 0.458 73 S N -1.166 114.557 115.700 0.038 0.000 2.527 73 S HA 0.032 4.502 4.470 -0.000 0.000 0.222 73 S C 1.567 176.180 174.600 0.021 0.000 0.985 73 S CA 0.581 58.797 58.200 0.027 0.000 0.921 73 S CB -0.229 62.990 63.200 0.031 0.000 0.772 73 S HN 0.620 nan 8.310 nan 0.000 0.529 74 R N 0.470 120.981 120.500 0.018 0.000 2.317 74 R HA 0.293 4.633 4.340 -0.000 0.000 0.208 74 R C 1.408 177.678 176.300 -0.050 0.000 0.914 74 R CA 0.397 56.485 56.100 -0.020 0.000 1.060 74 R CB -0.085 30.182 30.300 -0.055 0.000 1.015 74 R HN 0.545 nan 8.270 nan 0.000 0.498 75 G N 1.742 110.522 108.800 -0.033 0.000 2.143 75 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 75 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 75 G C 0.171 175.030 174.900 -0.068 0.000 0.991 75 G CA -0.164 44.911 45.100 -0.042 0.000 0.689 75 G HN 0.300 nan 8.290 nan 0.000 0.522 76 I N 1.968 122.481 120.570 -0.095 0.000 2.241 76 I HA 0.232 4.402 4.170 -0.000 0.000 0.294 76 I C 0.211 176.316 176.117 -0.019 0.000 1.145 76 I CA -0.567 60.662 61.300 -0.118 0.000 1.261 76 I CB 0.316 38.122 38.000 -0.324 0.000 1.475 76 I HN 0.074 nan 8.210 nan 0.000 0.533 77 E N 7.178 127.369 120.200 -0.015 0.000 2.313 77 E HA 0.493 4.843 4.350 -0.000 0.000 0.276 77 E C -0.560 176.049 176.600 0.015 0.000 1.031 77 E CA -0.187 56.215 56.400 0.004 0.000 0.857 77 E CB 1.943 31.640 29.700 -0.005 0.000 1.040 77 E HN 0.497 nan 8.360 nan 0.000 0.408 78 M N 1.265 120.880 119.600 0.025 0.000 2.386 78 M HA 0.155 4.635 4.480 -0.000 0.000 0.293 78 M C 1.017 177.326 176.300 0.016 0.000 1.120 78 M CA -0.525 54.792 55.300 0.029 0.000 0.909 78 M CB 2.249 34.884 32.600 0.058 0.000 1.661 78 M HN 0.435 nan 8.290 nan 0.000 0.452 79 S N 1.580 117.290 115.700 0.016 0.000 2.557 79 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 79 S C 0.227 174.837 174.600 0.017 0.000 1.092 79 S CA 1.556 59.765 58.200 0.014 0.000 1.310 79 S CB 0.047 63.256 63.200 0.016 0.000 1.147 79 S HN 0.788 nan 8.310 nan 0.000 0.402 80 E N 0.363 120.581 120.200 0.030 0.000 2.199 80 E HA 0.505 4.855 4.350 -0.000 0.000 0.269 80 E C -1.613 175.028 176.600 0.068 0.000 0.899 80 E CA -0.801 55.626 56.400 0.045 0.000 0.772 80 E CB 1.745 31.474 29.700 0.049 0.000 1.155 80 E HN 0.166 nan 8.360 nan 0.000 0.408 81 V N 3.619 123.593 119.914 0.099 0.000 2.275 81 V HA 0.326 4.446 4.120 -0.000 0.000 0.272 81 V C 0.115 176.344 176.094 0.225 0.000 1.028 81 V CA -0.658 61.728 62.300 0.142 0.000 0.810 81 V CB 0.323 32.202 31.823 0.093 0.000 1.043 81 V HN 0.656 nan 8.190 nan 0.000 0.453 82 R N 4.148 124.758 120.500 0.182 0.000 2.428 82 R HA 0.614 4.954 4.340 -0.000 0.000 0.294 82 R C -0.830 175.578 176.300 0.180 0.000 1.000 82 R CA -0.570 55.627 56.100 0.162 0.000 0.960 82 R CB 1.266 31.623 30.300 0.095 0.000 1.076 82 R HN 0.681 nan 8.270 nan 0.000 0.475 83 L N 3.636 124.924 121.223 0.110 0.000 2.334 83 L HA 0.344 4.684 4.340 -0.000 0.000 0.277 83 L C -0.740 176.099 176.870 -0.051 0.000 1.075 83 L CA -0.465 54.336 54.840 -0.066 0.000 0.804 83 L CB 1.272 43.124 42.059 -0.346 0.000 1.174 83 L HN 0.740 nan 8.230 nan 0.000 0.438 84 N N 4.556 123.221 118.700 -0.059 0.000 2.851 84 N HA 0.059 4.799 4.740 -0.000 0.000 0.248 84 N C 0.564 176.046 175.510 -0.046 0.000 1.221 84 N CA -0.412 52.618 53.050 -0.033 0.000 0.847 84 N CB 0.943 39.423 38.487 -0.011 0.000 1.150 84 N HN 0.617 nan 8.380 nan 0.000 0.507 85 L N 2.040 123.235 121.223 -0.048 0.000 2.081 85 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 85 L C 1.654 178.518 176.870 -0.009 0.000 1.080 85 L CA 1.814 56.636 54.840 -0.030 0.000 0.754 85 L CB -0.295 41.777 42.059 0.022 0.000 0.893 85 L HN 0.479 nan 8.230 nan 0.000 0.433 86 D N -0.722 119.676 120.400 -0.004 0.000 2.133 86 D HA -0.262 4.378 4.640 -0.000 0.000 0.195 86 D C 2.091 178.388 176.300 -0.006 0.000 0.997 86 D CA 1.561 55.561 54.000 0.000 0.000 0.840 86 D CB 0.232 41.032 40.800 -0.000 0.000 0.947 86 D HN 0.236 nan 8.370 nan 0.000 0.452 87 K N 0.384 120.776 120.400 -0.012 0.000 2.167 87 K HA 0.020 4.340 4.320 -0.000 0.000 0.203 87 K C 2.043 178.632 176.600 -0.018 0.000 1.052 87 K CA 0.418 56.697 56.287 -0.013 0.000 0.956 87 K CB -0.151 32.343 32.500 -0.010 0.000 0.735 87 K HN 0.032 nan 8.250 nan 0.000 0.451 88 M N -0.482 119.099 119.600 -0.031 0.000 2.254 88 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 88 M C 1.363 177.641 176.300 -0.037 0.000 1.066 88 M CA 1.198 56.473 55.300 -0.042 0.000 1.123 88 M CB 0.109 32.660 32.600 -0.080 0.000 1.388 88 M HN 0.145 nan 8.290 nan 0.000 0.425 89 M N -0.318 119.267 119.600 -0.025 0.000 2.254 89 M HA -0.135 4.345 4.480 -0.000 0.000 0.265 89 M C 1.867 178.161 176.300 -0.009 0.000 1.066 89 M CA 1.359 56.653 55.300 -0.010 0.000 1.123 89 M CB -1.197 31.413 32.600 0.016 0.000 1.388 89 M HN 0.396 nan 8.290 nan 0.000 0.425 90 E N 0.711 120.906 120.200 -0.010 0.000 2.347 90 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 90 E C 1.719 178.311 176.600 -0.013 0.000 1.008 90 E CA 0.927 57.322 56.400 -0.010 0.000 0.852 90 E CB 0.243 29.938 29.700 -0.008 0.000 0.783 90 E HN 0.644 nan 8.360 nan 0.000 0.505 91 Q N 0.386 120.177 119.800 -0.015 0.000 2.398 91 Q HA -0.036 4.304 4.340 -0.000 0.000 0.204 91 Q C 1.850 177.839 176.000 -0.018 0.000 0.932 91 Q CA 0.878 56.673 55.803 -0.014 0.000 0.916 91 Q CB -0.025 28.707 28.738 -0.009 0.000 1.024 91 Q HN -0.027 nan 8.270 nan 0.000 0.504 92 K N 0.296 120.683 120.400 -0.021 0.000 2.116 92 K HA 0.016 4.336 4.320 -0.000 0.000 0.203 92 K C 1.609 178.194 176.600 -0.024 0.000 1.052 92 K CA 1.331 57.602 56.287 -0.026 0.000 0.952 92 K CB -0.014 32.469 32.500 -0.029 0.000 0.729 92 K HN 0.262 nan 8.250 nan 0.000 0.446 93 S N 0.667 116.356 115.700 -0.019 0.000 2.368 93 S HA -0.107 4.363 4.470 -0.000 0.000 0.224 93 S C 1.832 176.418 174.600 -0.024 0.000 1.029 93 S CA 1.642 59.831 58.200 -0.018 0.000 0.988 93 S CB -0.473 62.720 63.200 -0.013 0.000 0.838 93 S HN 0.416 nan 8.310 nan 0.000 0.462 94 T N 2.784 117.325 114.554 -0.022 0.000 2.564 94 T HA -0.293 4.057 4.350 -0.000 0.000 0.264 94 T C 2.096 176.777 174.700 -0.032 0.000 1.100 94 T CA 1.849 63.934 62.100 -0.026 0.000 1.171 94 T CB -0.865 67.989 68.868 -0.022 0.000 0.863 94 T HN 0.515 nan 8.240 nan 0.000 0.430 95 A N 0.817 123.618 122.820 -0.032 0.000 1.869 95 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 95 A C 2.627 180.183 177.584 -0.046 0.000 1.203 95 A CA 2.404 54.417 52.037 -0.039 0.000 0.638 95 A CB -1.315 17.662 19.000 -0.038 0.000 0.831 95 A HN 0.385 nan 8.150 nan 0.000 0.450 96 V N 0.439 120.327 119.914 -0.044 0.000 2.282 96 V HA -0.335 3.785 4.120 -0.000 0.000 0.249 96 V C 2.579 178.641 176.094 -0.054 0.000 1.057 96 V CA 2.648 64.919 62.300 -0.048 0.000 1.032 96 V CB -0.817 30.982 31.823 -0.040 0.000 0.645 96 V HN 0.739 nan 8.190 nan 0.000 0.447 97 K N 0.324 120.696 120.400 -0.046 0.000 2.026 97 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 97 K C 2.229 178.794 176.600 -0.058 0.000 1.048 97 K CA 1.518 57.777 56.287 -0.047 0.000 0.929 97 K CB -0.380 32.099 32.500 -0.036 0.000 0.713 97 K HN 0.404 nan 8.250 nan 0.000 0.439 98 A N 1.419 124.205 122.820 -0.057 0.000 1.883 98 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 98 A C 2.163 179.697 177.584 -0.083 0.000 1.186 98 A CA 1.416 53.414 52.037 -0.066 0.000 0.624 98 A CB -0.704 18.260 19.000 -0.060 0.000 0.822 98 A HN 0.344 nan 8.150 nan 0.000 0.444 99 L N -0.230 120.943 121.223 -0.083 0.000 1.994 99 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 99 L C 3.128 179.914 176.870 -0.140 0.000 1.071 99 L CA 2.048 56.828 54.840 -0.101 0.000 0.745 99 L CB -0.854 41.154 42.059 -0.085 0.000 0.892 99 L HN 0.680 nan 8.230 nan 0.000 0.431 100 T N -3.094 111.379 114.554 -0.134 0.000 2.803 100 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 100 T C 1.873 176.471 174.700 -0.170 0.000 1.052 100 T CA 1.038 63.036 62.100 -0.170 0.000 1.136 100 T CB -0.987 67.805 68.868 -0.126 0.000 0.864 100 T HN 0.425 nan 8.240 nan 0.000 0.467 101 G N 1.625 110.353 108.800 -0.120 0.000 2.480 101 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.216 101 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.216 101 G C 1.804 176.637 174.900 -0.111 0.000 1.200 101 G CA 0.802 45.844 45.100 -0.097 0.000 0.782 101 G HN 0.680 nan 8.290 nan 0.000 0.554 102 G N 1.181 109.903 108.800 -0.131 0.000 2.547 102 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.221 102 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.221 102 G C 1.750 176.551 174.900 -0.164 0.000 1.140 102 G CA 1.146 46.170 45.100 -0.126 0.000 0.760 102 G HN 0.492 nan 8.290 nan 0.000 0.583 103 I N 1.076 121.443 120.570 -0.338 0.000 2.252 103 I HA -0.103 4.067 4.170 -0.000 0.000 0.245 103 I C 3.298 179.047 176.117 -0.613 0.000 1.102 103 I CA 0.928 61.849 61.300 -0.631 0.000 1.385 103 I CB -0.550 36.914 38.000 -0.893 0.000 1.064 103 I HN 0.254 nan 8.210 nan 0.000 0.414 104 A N 0.713 123.311 122.820 -0.368 0.000 1.877 104 A HA -0.286 4.034 4.320 -0.000 0.000 0.216 104 A C 2.409 179.970 177.584 -0.038 0.000 1.186 104 A CA 1.887 53.807 52.037 -0.194 0.000 0.620 104 A CB -1.164 17.788 19.000 -0.080 0.000 0.822 104 A HN 0.533 nan 8.150 nan 0.000 0.443 105 H N 0.237 119.241 119.070 -0.111 0.000 2.353 105 H HA -0.061 4.495 4.556 -0.000 0.000 0.300 105 H C 1.874 177.186 175.328 -0.028 0.000 1.090 105 H CA 1.915 57.932 56.048 -0.051 0.000 1.327 105 H CB -0.243 29.485 29.762 -0.058 0.000 1.383 105 H HN 0.424 nan 8.280 nan 0.000 0.508 106 L N -0.311 120.893 121.223 -0.030 0.000 2.083 106 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 106 L C 2.673 179.600 176.870 0.094 0.000 1.083 106 L CA 0.731 55.556 54.840 -0.024 0.000 0.752 106 L CB -0.590 41.466 42.059 -0.005 0.000 0.899 106 L HN 0.153 nan 8.230 nan 0.000 0.433 107 F N 0.956 120.850 119.950 -0.092 0.000 2.216 107 F HA -0.215 4.312 4.527 -0.000 0.000 0.300 107 F C 2.558 178.312 175.800 -0.076 0.000 1.085 107 F CA 1.368 59.325 58.000 -0.072 0.000 1.326 107 F CB -0.646 38.296 39.000 -0.096 0.000 1.027 107 F HN 0.053 nan 8.300 nan 0.000 0.497 108 K N 1.094 121.542 120.400 0.080 0.000 2.062 108 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 108 K C 2.052 178.613 176.600 -0.066 0.000 1.051 108 K CA 1.523 57.803 56.287 -0.012 0.000 0.941 108 K CB -0.459 32.011 32.500 -0.049 0.000 0.719 108 K HN 0.428 nan 8.250 nan 0.000 0.440 109 Q N -0.480 119.231 119.800 -0.148 0.000 2.224 109 Q HA -0.056 4.284 4.340 -0.000 0.000 0.203 109 Q C 0.702 176.683 176.000 -0.031 0.000 0.970 109 Q CA 1.291 57.029 55.803 -0.108 0.000 0.865 109 Q CB -0.157 28.488 28.738 -0.155 0.000 0.922 109 Q HN 0.218 nan 8.270 nan 0.000 0.445 110 N N 0.980 119.685 118.700 0.008 0.000 2.313 110 N HA 0.080 4.820 4.740 -0.000 0.000 0.207 110 N C -0.603 174.914 175.510 0.012 0.000 1.141 110 N CA 0.128 53.194 53.050 0.027 0.000 0.830 110 N CB 0.434 38.962 38.487 0.069 0.000 1.008 110 N HN 0.266 nan 8.380 nan 0.000 0.481 111 K N -0.104 120.296 120.400 0.000 0.000 3.020 111 K HA -0.142 4.178 4.320 -0.000 0.000 0.266 111 K C -0.574 176.007 176.600 -0.033 0.000 1.067 111 K CA 0.195 56.476 56.287 -0.010 0.000 0.780 111 K CB -1.400 31.094 32.500 -0.009 0.000 1.220 111 K HN -0.010 nan 8.250 nan 0.000 0.483 112 V N 1.614 121.487 119.914 -0.068 0.000 2.508 112 V HA 0.054 4.174 4.120 -0.000 0.000 0.281 112 V C 0.763 176.741 176.094 -0.193 0.000 1.041 112 V CA -0.428 61.748 62.300 -0.206 0.000 1.016 112 V CB 1.435 32.955 31.823 -0.504 0.000 0.984 112 V HN 0.032 nan 8.190 nan 0.000 0.478 113 V N 5.328 125.154 119.914 -0.146 0.000 2.455 113 V HA 0.137 4.257 4.120 -0.000 0.000 0.273 113 V C 0.135 176.205 176.094 -0.042 0.000 1.045 113 V CA -0.420 61.843 62.300 -0.062 0.000 0.976 113 V CB 0.550 32.350 31.823 -0.038 0.000 0.993 113 V HN 0.864 nan 8.190 nan 0.000 0.475 114 H N 4.825 123.847 119.070 -0.080 0.000 2.652 114 H HA 0.530 5.086 4.556 -0.000 0.000 0.298 114 H C -0.798 174.530 175.328 0.001 0.000 1.076 114 H CA -0.616 55.418 56.048 -0.025 0.000 1.360 114 H CB 1.262 31.079 29.762 0.092 0.000 1.421 114 H HN 0.380 nan 8.280 nan 0.000 0.464 115 V N 6.168 126.073 119.914 -0.015 0.000 2.384 115 V HA 0.157 4.277 4.120 -0.000 0.000 0.287 115 V C 0.270 176.253 176.094 -0.184 0.000 1.020 115 V CA -0.990 61.230 62.300 -0.133 0.000 0.850 115 V CB 1.133 32.937 31.823 -0.032 0.000 0.987 115 V HN 0.809 nan 8.190 nan 0.000 0.436 116 N N 3.138 121.671 118.700 -0.279 0.000 2.499 116 N HA 0.693 5.433 4.740 -0.000 0.000 0.281 116 N C 0.014 175.501 175.510 -0.039 0.000 1.098 116 N CA 1.061 54.012 53.050 -0.165 0.000 0.979 116 N CB 1.262 39.639 38.487 -0.184 0.000 1.121 116 N HN 1.087 nan 8.380 nan 0.000 0.466 117 G N 1.098 109.908 108.800 0.016 0.000 2.347 117 G HA2 0.013 3.973 3.960 -0.000 0.000 0.321 117 G HA3 0.013 3.973 3.960 -0.000 0.000 0.321 117 G C -2.225 172.737 174.900 0.103 0.000 1.412 117 G CA -0.972 44.166 45.100 0.065 0.000 0.990 117 G HN 0.414 nan 8.290 nan 0.000 0.637 118 Y N 1.289 121.614 120.300 0.041 0.000 2.350 118 Y HA 0.564 5.114 4.550 -0.000 0.000 0.340 118 Y C 0.926 176.855 175.900 0.048 0.000 1.006 118 Y CA 0.301 58.436 58.100 0.059 0.000 1.166 118 Y CB 1.325 39.821 38.460 0.060 0.000 1.168 118 Y HN 0.838 nan 8.280 nan 0.000 0.502 119 G N 5.359 114.327 108.800 0.280 0.000 2.348 119 G HA2 0.451 4.411 3.960 -0.000 0.000 0.312 119 G HA3 0.451 4.411 3.960 -0.000 0.000 0.312 119 G C -1.347 173.681 174.900 0.212 0.000 1.126 119 G CA -0.798 44.414 45.100 0.187 0.000 0.865 119 G HN 0.590 nan 8.290 nan 0.000 0.474 120 K N 1.895 122.372 120.400 0.130 0.000 2.316 120 K HA 0.504 4.824 4.320 -0.000 0.000 0.251 120 K C -0.417 176.216 176.600 0.056 0.000 0.934 120 K CA -0.841 55.497 56.287 0.086 0.000 0.802 120 K CB 1.612 34.139 32.500 0.046 0.000 1.171 120 K HN 0.367 nan 8.250 nan 0.000 0.426 121 I N 4.665 125.261 120.570 0.043 0.000 2.278 121 I HA 0.021 4.191 4.170 -0.000 0.000 0.296 121 I C 1.209 177.338 176.117 0.020 0.000 1.121 121 I CA -0.203 61.116 61.300 0.031 0.000 1.267 121 I CB 0.877 38.893 38.000 0.027 0.000 1.447 121 I HN 0.802 nan 8.210 nan 0.000 0.509 122 T N 1.243 115.808 114.554 0.018 0.000 3.118 122 T HA 0.241 4.591 4.350 -0.000 0.000 0.260 122 T C 0.792 175.497 174.700 0.008 0.000 1.139 122 T CA 0.211 62.318 62.100 0.011 0.000 1.085 122 T CB 0.092 68.967 68.868 0.011 0.000 0.934 122 T HN 0.713 nan 8.240 nan 0.000 0.518 123 G N 1.032 109.838 108.800 0.010 0.000 2.387 123 G HA2 0.389 4.349 3.960 -0.000 0.000 0.294 123 G HA3 0.389 4.349 3.960 -0.000 0.000 0.294 123 G C -0.025 174.881 174.900 0.011 0.000 1.509 123 G CA -0.450 44.655 45.100 0.008 0.000 0.806 123 G HN 0.131 nan 8.290 nan 0.000 0.546 124 K N -0.914 119.491 120.400 0.008 0.000 2.442 124 K HA -0.018 4.302 4.320 -0.000 0.000 0.199 124 K C 0.568 177.177 176.600 0.016 0.000 1.044 124 K CA 1.514 57.806 56.287 0.010 0.000 0.941 124 K CB 0.117 32.619 32.500 0.005 0.000 0.759 124 K HN 0.251 nan 8.250 nan 0.000 0.472 125 N N 0.256 118.966 118.700 0.016 0.000 2.240 125 N HA 0.031 4.771 4.740 -0.000 0.000 0.240 125 N C -1.103 174.418 175.510 0.018 0.000 1.277 125 N CA -0.034 53.028 53.050 0.020 0.000 0.873 125 N CB 1.191 39.690 38.487 0.019 0.000 1.222 125 N HN 0.277 nan 8.380 nan 0.000 0.507 126 Q N 1.121 120.931 119.800 0.018 0.000 2.305 126 Q HA 0.467 4.807 4.340 -0.000 0.000 0.271 126 Q C -1.681 174.331 176.000 0.021 0.000 1.046 126 Q CA -0.485 55.328 55.803 0.017 0.000 0.798 126 Q CB 2.607 31.354 28.738 0.014 0.000 1.286 126 Q HN -0.150 nan 8.270 nan 0.000 0.435 127 V N 2.095 122.023 119.914 0.023 0.000 2.680 127 V HA 0.575 4.695 4.120 -0.000 0.000 0.309 127 V C -0.554 175.558 176.094 0.030 0.000 1.052 127 V CA -0.578 61.740 62.300 0.030 0.000 0.908 127 V CB 2.171 34.014 31.823 0.033 0.000 1.001 127 V HN 0.826 nan 8.190 nan 0.000 0.431 128 T N 3.605 118.181 114.554 0.038 0.000 2.815 128 T HA 0.648 4.998 4.350 -0.000 0.000 0.289 128 T C -0.073 174.660 174.700 0.054 0.000 1.000 128 T CA -0.249 61.873 62.100 0.036 0.000 0.958 128 T CB 1.389 70.273 68.868 0.026 0.000 0.944 128 T HN 0.932 nan 8.240 nan 0.000 0.442 129 A N 3.234 126.085 122.820 0.051 0.000 2.276 129 A HA 0.644 4.964 4.320 -0.000 0.000 0.300 129 A C 0.374 177.995 177.584 0.063 0.000 1.235 129 A CA -0.540 51.539 52.037 0.069 0.000 0.867 129 A CB 0.243 19.273 19.000 0.050 0.000 1.137 129 A HN 0.675 nan 8.150 nan 0.000 0.527 130 T N 4.212 118.820 114.554 0.091 0.000 2.756 130 T HA 0.314 4.664 4.350 -0.000 0.000 0.290 130 T C 0.248 174.998 174.700 0.084 0.000 0.985 130 T CA -0.499 61.641 62.100 0.068 0.000 0.955 130 T CB 0.739 69.635 68.868 0.046 0.000 0.930 130 T HN 0.696 nan 8.240 nan 0.000 0.451 131 K N 1.432 121.863 120.400 0.051 0.000 2.140 131 K HA 0.481 4.801 4.320 -0.000 0.000 0.237 131 K C 1.757 178.387 176.600 0.050 0.000 1.045 131 K CA -0.555 55.759 56.287 0.044 0.000 0.896 131 K CB 0.298 32.809 32.500 0.019 0.000 1.122 131 K HN 0.523 nan 8.250 nan 0.000 0.503 132 A N 1.425 124.271 122.820 0.044 0.000 1.927 132 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 132 A C 0.631 178.233 177.584 0.031 0.000 1.185 132 A CA 2.312 54.374 52.037 0.042 0.000 0.639 132 A CB -0.896 18.122 19.000 0.031 0.000 0.820 132 A HN 0.846 nan 8.150 nan 0.000 0.451 133 D N -3.046 117.367 120.400 0.022 0.000 2.772 133 D HA 0.438 5.078 4.640 -0.000 0.000 0.273 133 D C 0.952 177.259 176.300 0.012 0.000 1.233 133 D CA 0.230 54.239 54.000 0.015 0.000 0.984 133 D CB -0.118 40.688 40.800 0.011 0.000 1.000 133 D HN 0.438 nan 8.370 nan 0.000 0.514 134 G N 1.163 109.971 108.800 0.013 0.000 2.719 134 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.243 134 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.243 134 G C 0.982 175.888 174.900 0.010 0.000 1.031 134 G CA 0.291 45.397 45.100 0.009 0.000 0.685 134 G HN 0.982 nan 8.290 nan 0.000 0.561 135 G N 0.422 109.228 108.800 0.010 0.000 2.093 135 G HA2 0.385 4.345 3.960 -0.000 0.000 0.250 135 G HA3 0.385 4.345 3.960 -0.000 0.000 0.250 135 G C 0.255 175.161 174.900 0.011 0.000 1.056 135 G CA 1.362 46.467 45.100 0.008 0.000 0.916 135 G HN 0.915 nan 8.290 nan 0.000 0.421 136 T N 1.125 115.684 114.554 0.009 0.000 2.952 136 T HA 0.605 4.955 4.350 -0.000 0.000 0.286 136 T C -0.676 174.029 174.700 0.009 0.000 1.024 136 T CA -0.531 61.576 62.100 0.012 0.000 1.029 136 T CB 1.551 70.425 68.868 0.010 0.000 1.094 136 T HN 0.448 nan 8.240 nan 0.000 0.515 137 Q N 2.435 122.242 119.800 0.012 0.000 2.296 137 Q HA 0.404 4.744 4.340 -0.000 0.000 0.254 137 Q C -1.649 174.358 176.000 0.012 0.000 0.936 137 Q CA -0.394 55.414 55.803 0.008 0.000 0.834 137 Q CB 1.794 30.534 28.738 0.002 0.000 1.340 137 Q HN 0.556 nan 8.270 nan 0.000 0.428 138 V N 5.017 124.937 119.914 0.009 0.000 2.481 138 V HA 0.543 4.663 4.120 -0.000 0.000 0.286 138 V C 0.095 176.196 176.094 0.010 0.000 1.042 138 V CA -0.403 61.904 62.300 0.012 0.000 0.928 138 V CB 1.571 33.401 31.823 0.010 0.000 0.986 138 V HN 0.619 nan 8.190 nan 0.000 0.462 139 I N 4.075 124.653 120.570 0.013 0.000 2.448 139 I HA 0.330 4.500 4.170 -0.000 0.000 0.281 139 I C -0.524 175.600 176.117 0.013 0.000 1.027 139 I CA -0.310 60.996 61.300 0.011 0.000 1.111 139 I CB 1.494 39.501 38.000 0.011 0.000 1.236 139 I HN 0.509 nan 8.210 nan 0.000 0.452 140 D N 4.970 125.377 120.400 0.012 0.000 2.317 140 D HA 0.250 4.890 4.640 -0.000 0.000 0.252 140 D C 0.055 176.364 176.300 0.016 0.000 1.174 140 D CA 0.229 54.238 54.000 0.014 0.000 0.866 140 D CB 1.906 42.714 40.800 0.014 0.000 1.127 140 D HN 0.393 nan 8.370 nan 0.000 0.467 141 T N 0.805 115.370 114.554 0.017 0.000 2.916 141 T HA 0.241 4.591 4.350 -0.000 0.000 0.305 141 T C 0.791 175.505 174.700 0.023 0.000 1.119 141 T CA -0.634 61.477 62.100 0.017 0.000 1.008 141 T CB 2.054 70.927 68.868 0.009 0.000 1.129 141 T HN -0.013 nan 8.240 nan 0.000 0.480 142 K N 2.016 122.432 120.400 0.027 0.000 1.973 142 K HA 0.221 4.541 4.320 -0.000 0.000 0.210 142 K C 0.698 177.321 176.600 0.039 0.000 1.045 142 K CA 1.393 57.703 56.287 0.038 0.000 0.937 142 K CB 0.062 32.594 32.500 0.053 0.000 0.721 142 K HN 0.587 nan 8.250 nan 0.000 0.438 143 N N 0.309 119.015 118.700 0.010 0.000 2.370 143 N HA 0.257 4.997 4.740 -0.000 0.000 0.303 143 N C -0.924 174.600 175.510 0.023 0.000 1.103 143 N CA -0.609 52.466 53.050 0.041 0.000 0.848 143 N CB 1.998 40.472 38.487 -0.022 0.000 1.235 143 N HN 0.061 nan 8.380 nan 0.000 0.496 144 I N -0.147 120.471 120.570 0.079 0.000 2.474 144 I HA 0.509 4.679 4.170 -0.000 0.000 0.294 144 I C -1.371 174.800 176.117 0.090 0.000 1.005 144 I CA -0.842 60.489 61.300 0.052 0.000 1.113 144 I CB 1.463 39.489 38.000 0.044 0.000 1.289 144 I HN 0.355 nan 8.210 nan 0.000 0.436 145 L N 8.091 129.335 121.223 0.034 0.000 2.319 145 L HA 0.628 4.968 4.340 -0.000 0.000 0.281 145 L C -1.154 175.739 176.870 0.038 0.000 1.005 145 L CA -0.251 54.615 54.840 0.044 0.000 0.828 145 L CB 1.064 43.089 42.059 -0.057 0.000 1.227 145 L HN 0.632 nan 8.230 nan 0.000 0.415 146 I N 5.821 126.429 120.570 0.064 0.000 2.379 146 I HA 0.421 4.590 4.170 -0.000 0.000 0.290 146 I C 0.550 176.688 176.117 0.035 0.000 1.063 146 I CA 0.117 61.447 61.300 0.051 0.000 1.351 146 I CB 1.223 39.257 38.000 0.056 0.000 1.410 146 I HN 0.871 nan 8.210 nan 0.000 0.505 147 A N 3.774 126.613 122.820 0.032 0.000 2.992 147 A HA 0.212 4.532 4.320 -0.000 0.000 0.263 147 A C 0.967 178.582 177.584 0.051 0.000 0.928 147 A CA -0.371 51.680 52.037 0.023 0.000 1.061 147 A CB -0.380 18.619 19.000 -0.003 0.000 1.173 147 A HN 0.734 nan 8.150 nan 0.000 0.482 148 T N -2.548 112.054 114.554 0.080 0.000 3.227 148 T HA 0.398 4.748 4.350 -0.000 0.000 0.257 148 T C 1.368 176.176 174.700 0.180 0.000 1.162 148 T CA 0.973 63.158 62.100 0.141 0.000 1.051 148 T CB -0.561 68.417 68.868 0.183 0.000 0.953 148 T HN 1.994 nan 8.240 nan 0.000 0.535 149 G N 1.626 110.490 108.800 0.108 0.000 2.552 149 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.265 149 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.265 149 G C -0.094 174.886 174.900 0.133 0.000 1.234 149 G CA -0.016 45.137 45.100 0.088 0.000 0.944 149 G HN 1.493 nan 8.290 nan 0.000 0.568 150 S N -0.715 115.043 115.700 0.097 0.000 2.697 150 S HA 0.833 5.303 4.470 -0.000 0.000 0.289 150 S C -0.528 174.116 174.600 0.074 0.000 1.149 150 S CA 0.276 58.546 58.200 0.117 0.000 0.850 150 S CB 2.514 65.755 63.200 0.069 0.000 1.151 150 S HN 1.640 nan 8.310 nan 0.000 0.491 151 E N -0.726 119.531 120.200 0.095 0.000 2.456 151 E HA 0.652 5.002 4.350 -0.000 0.000 0.276 151 E C -1.446 175.190 176.600 0.060 0.000 0.981 151 E CA -1.296 55.130 56.400 0.044 0.000 0.814 151 E CB 1.224 30.982 29.700 0.096 0.000 1.382 151 E HN 0.394 nan 8.360 nan 0.000 0.459 152 V N 1.360 121.303 119.914 0.047 0.000 2.655 152 V HA 0.102 4.222 4.120 -0.000 0.000 0.300 152 V C 0.220 176.358 176.094 0.074 0.000 1.044 152 V CA -0.033 62.301 62.300 0.058 0.000 1.095 152 V CB 0.938 32.791 31.823 0.051 0.000 0.952 152 V HN 0.682 nan 8.190 nan 0.000 0.485 153 T N 8.165 122.765 114.554 0.076 0.000 2.769 153 T HA 0.223 4.573 4.350 -0.000 0.000 0.293 153 T C -1.928 172.830 174.700 0.096 0.000 0.931 153 T CA -0.387 61.761 62.100 0.079 0.000 1.139 153 T CB 0.581 69.495 68.868 0.076 0.000 0.881 153 T HN 0.619 nan 8.240 nan 0.000 0.532 154 P HA 0.349 nan 4.420 nan 0.000 0.279 154 P C -0.851 176.530 177.300 0.135 0.000 1.252 154 P CA -0.753 62.413 63.100 0.109 0.000 0.811 154 P CB 0.714 32.461 31.700 0.078 0.000 1.035 155 F N 2.790 122.754 119.950 0.022 0.000 2.410 155 F HA 0.403 4.930 4.527 -0.000 0.000 0.349 155 F C -2.010 173.802 175.800 0.019 0.000 1.117 155 F CA -2.657 55.356 58.000 0.022 0.000 1.104 155 F CB 0.410 39.426 39.000 0.026 0.000 1.122 155 F HN 0.176 nan 8.300 nan 0.000 0.483 156 P HA 0.019 nan 4.420 nan 0.000 0.257 156 P C 0.220 177.398 177.300 -0.203 0.000 1.153 156 P CA 1.421 64.271 63.100 -0.416 0.000 0.762 156 P CB 0.023 31.363 31.700 -0.601 0.000 0.743 157 G N 3.244 112.007 108.800 -0.062 0.000 2.395 157 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.300 157 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.300 157 G C -0.026 174.933 174.900 0.099 0.000 0.998 157 G CA -0.062 45.048 45.100 0.016 0.000 1.046 157 G HN 0.547 nan 8.290 nan 0.000 0.513 158 I N -0.507 120.148 120.570 0.141 0.000 2.692 158 I HA 0.320 4.490 4.170 -0.000 0.000 0.293 158 I C -0.364 175.821 176.117 0.113 0.000 1.200 158 I CA -0.764 60.632 61.300 0.160 0.000 1.036 158 I CB 2.597 40.757 38.000 0.268 0.000 1.258 158 I HN 0.029 nan 8.210 nan 0.000 0.421 159 T N 5.883 120.480 114.554 0.072 0.000 2.786 159 T HA 0.470 4.820 4.350 -0.000 0.000 0.283 159 T C 0.077 174.802 174.700 0.042 0.000 0.992 159 T CA -0.480 61.653 62.100 0.055 0.000 0.954 159 T CB 1.135 70.026 68.868 0.038 0.000 0.934 159 T HN 0.201 nan 8.240 nan 0.000 0.440 160 I N 4.436 125.032 120.570 0.044 0.000 2.578 160 I HA 0.087 4.257 4.170 -0.000 0.000 0.286 160 I C 0.861 176.988 176.117 0.017 0.000 1.126 160 I CA 0.054 61.370 61.300 0.027 0.000 1.380 160 I CB -0.011 38.008 38.000 0.032 0.000 1.408 160 I HN 0.767 nan 8.210 nan 0.000 0.532 161 D N 3.256 123.659 120.400 0.006 0.000 2.369 161 D HA 0.051 4.691 4.640 -0.000 0.000 0.211 161 D C 0.672 176.969 176.300 -0.004 0.000 1.077 161 D CA -0.225 53.776 54.000 0.002 0.000 0.842 161 D CB 0.169 40.968 40.800 -0.002 0.000 0.947 161 D HN 0.452 nan 8.370 nan 0.000 0.509 162 E N -0.661 119.535 120.200 -0.007 0.000 2.791 162 E HA -0.273 4.077 4.350 -0.000 0.000 0.271 162 E C 0.185 176.771 176.600 -0.023 0.000 1.044 162 E CA 1.276 57.669 56.400 -0.012 0.000 0.814 162 E CB -1.300 28.398 29.700 -0.003 0.000 1.400 162 E HN 0.644 nan 8.360 nan 0.000 0.423 163 D N -3.402 116.979 120.400 -0.031 0.000 2.871 163 D HA 0.130 4.770 4.640 -0.000 0.000 0.291 163 D C 1.356 177.620 176.300 -0.060 0.000 1.150 163 D CA 0.901 54.876 54.000 -0.041 0.000 0.999 163 D CB 0.024 40.806 40.800 -0.030 0.000 1.452 163 D HN 0.054 nan 8.370 nan 0.000 0.465 164 T N -1.119 113.402 114.554 -0.055 0.000 2.969 164 T HA 0.382 4.732 4.350 -0.000 0.000 0.258 164 T C -0.084 174.576 174.700 -0.066 0.000 0.962 164 T CA -0.273 61.784 62.100 -0.071 0.000 0.903 164 T CB 0.209 69.041 68.868 -0.060 0.000 1.177 164 T HN 0.109 nan 8.240 nan 0.000 0.511 165 I N 3.648 124.190 120.570 -0.047 0.000 2.411 165 I HA 0.488 4.658 4.170 -0.000 0.000 0.284 165 I C -0.546 175.554 176.117 -0.029 0.000 1.012 165 I CA -1.058 60.219 61.300 -0.039 0.000 1.119 165 I CB 1.833 39.822 38.000 -0.020 0.000 1.261 165 I HN 0.063 nan 8.210 nan 0.000 0.448 166 V N 2.721 122.614 119.914 -0.036 0.000 3.046 166 V HA 0.820 4.940 4.120 -0.000 0.000 0.316 166 V C 0.046 176.137 176.094 -0.006 0.000 1.104 166 V CA -0.479 61.807 62.300 -0.024 0.000 1.006 166 V CB 1.684 33.482 31.823 -0.042 0.000 1.058 166 V HN 0.730 nan 8.190 nan 0.000 0.440 167 S N 0.316 116.023 115.700 0.011 0.000 2.795 167 S HA 0.460 4.930 4.470 -0.000 0.000 0.308 167 S C 1.452 176.075 174.600 0.039 0.000 1.098 167 S CA 0.167 58.383 58.200 0.027 0.000 0.934 167 S CB 1.016 64.235 63.200 0.031 0.000 1.300 167 S HN 1.899 nan 8.310 nan 0.000 0.566 168 S N 0.766 116.497 115.700 0.051 0.000 2.365 168 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 168 S C 1.832 176.469 174.600 0.062 0.000 1.039 168 S CA 2.057 60.297 58.200 0.067 0.000 1.033 168 S CB -2.071 61.168 63.200 0.065 0.000 0.887 168 S HN 0.810 nan 8.310 nan 0.000 0.447 169 T N 2.303 116.881 114.554 0.041 0.000 2.597 169 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 169 T C 2.050 176.774 174.700 0.040 0.000 1.053 169 T CA 1.828 63.948 62.100 0.032 0.000 1.165 169 T CB -1.485 67.391 68.868 0.014 0.000 0.863 169 T HN 0.665 nan 8.240 nan 0.000 0.427 170 G N 1.170 109.987 108.800 0.029 0.000 2.446 170 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.217 170 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.217 170 G C 1.895 176.818 174.900 0.038 0.000 1.168 170 G CA 1.173 46.283 45.100 0.017 0.000 0.771 170 G HN 0.631 nan 8.290 nan 0.000 0.551 171 A N 0.632 123.487 122.820 0.058 0.000 1.903 171 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 171 A C 2.141 179.897 177.584 0.287 0.000 1.191 171 A CA 1.685 53.801 52.037 0.133 0.000 0.638 171 A CB -0.488 18.613 19.000 0.169 0.000 0.823 171 A HN 0.308 nan 8.150 nan 0.000 0.451 172 L N 0.039 121.382 121.223 0.201 0.000 2.633 172 L HA 0.042 4.382 4.340 -0.000 0.000 0.235 172 L C 0.795 177.772 176.870 0.177 0.000 1.163 172 L CA 1.307 56.259 54.840 0.186 0.000 0.859 172 L CB -0.827 41.286 42.059 0.091 0.000 0.973 172 L HN 0.325 nan 8.230 nan 0.000 0.451 173 S N -1.083 114.716 115.700 0.166 0.000 2.977 173 S HA 0.264 4.734 4.470 -0.000 0.000 0.250 173 S C 0.156 174.810 174.600 0.090 0.000 1.005 173 S CA -0.664 57.607 58.200 0.117 0.000 1.081 173 S CB 0.624 63.858 63.200 0.057 0.000 1.018 173 S HN -0.045 nan 8.310 nan 0.000 0.539 174 L N 2.790 124.080 121.223 0.112 0.000 2.499 174 L HA 0.187 4.527 4.340 -0.000 0.000 0.281 174 L C 1.575 178.442 176.870 -0.004 0.000 1.234 174 L CA 0.770 55.559 54.840 -0.085 0.000 0.839 174 L CB 0.296 42.043 42.059 -0.520 0.000 1.104 174 L HN 0.145 nan 8.230 nan 0.000 0.500 175 K N 1.577 121.938 120.400 -0.065 0.000 2.352 175 K HA 0.116 4.436 4.320 -0.000 0.000 0.194 175 K C -0.128 176.459 176.600 -0.021 0.000 1.038 175 K CA 0.352 56.626 56.287 -0.022 0.000 1.023 175 K CB 0.268 32.748 32.500 -0.032 0.000 0.840 175 K HN 0.638 nan 8.250 nan 0.000 0.519 176 K N -0.540 119.819 120.400 -0.069 0.000 2.555 176 K HA 0.339 4.659 4.320 -0.000 0.000 0.279 176 K C -0.618 175.911 176.600 -0.119 0.000 0.986 176 K CA -0.944 55.317 56.287 -0.044 0.000 0.880 176 K CB 1.537 34.007 32.500 -0.049 0.000 1.474 176 K HN -0.280 nan 8.250 nan 0.000 0.433 177 V N 2.448 122.360 119.914 -0.003 0.000 2.434 177 V HA 0.091 4.211 4.120 -0.000 0.000 0.281 177 V C -1.798 174.214 176.094 -0.137 0.000 1.005 177 V CA -0.794 61.501 62.300 -0.008 0.000 1.089 177 V CB -0.768 31.132 31.823 0.128 0.000 0.978 177 V HN 0.703 nan 8.190 nan 0.000 0.474 178 P HA 0.105 nan 4.420 nan 0.000 0.271 178 P C 0.769 177.987 177.300 -0.137 0.000 1.220 178 P CA -0.111 62.852 63.100 -0.228 0.000 0.768 178 P CB 1.138 32.641 31.700 -0.327 0.000 0.848 179 E N 3.567 123.708 120.200 -0.100 0.000 2.033 179 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 179 E C 0.210 176.764 176.600 -0.078 0.000 1.011 179 E CA 1.211 57.570 56.400 -0.069 0.000 0.815 179 E CB 0.156 29.823 29.700 -0.055 0.000 0.755 179 E HN 0.363 nan 8.360 nan 0.000 0.451 180 K N 0.431 120.774 120.400 -0.094 0.000 2.292 180 K HA 0.334 4.654 4.320 -0.000 0.000 0.257 180 K C -1.115 175.407 176.600 -0.130 0.000 0.940 180 K CA -0.537 55.688 56.287 -0.103 0.000 0.811 180 K CB 1.455 33.904 32.500 -0.086 0.000 1.120 180 K HN 0.065 nan 8.250 nan 0.000 0.428 181 M N 4.682 124.193 119.600 -0.149 0.000 2.395 181 M HA 0.369 4.849 4.480 -0.000 0.000 0.307 181 M C -1.659 174.546 176.300 -0.159 0.000 1.091 181 M CA -0.917 54.284 55.300 -0.165 0.000 0.919 181 M CB 1.877 34.362 32.600 -0.191 0.000 1.662 181 M HN 0.349 nan 8.290 nan 0.000 0.440 182 V N 4.603 124.437 119.914 -0.134 0.000 2.581 182 V HA 0.624 4.744 4.120 -0.000 0.000 0.303 182 V C -0.712 175.322 176.094 -0.099 0.000 1.041 182 V CA -0.719 61.511 62.300 -0.118 0.000 0.907 182 V CB 1.958 33.722 31.823 -0.100 0.000 0.994 182 V HN 0.679 nan 8.190 nan 0.000 0.442 183 V N 5.343 125.213 119.914 -0.074 0.000 2.487 183 V HA 0.486 4.606 4.120 -0.000 0.000 0.298 183 V C -0.247 175.831 176.094 -0.025 0.000 1.028 183 V CA -0.437 61.848 62.300 -0.026 0.000 0.860 183 V CB 1.865 33.715 31.823 0.045 0.000 0.991 183 V HN 0.669 nan 8.190 nan 0.000 0.427 184 I N 4.575 125.105 120.570 -0.067 0.000 2.297 184 I HA 0.659 4.829 4.170 -0.000 0.000 0.291 184 I C 0.778 176.883 176.117 -0.020 0.000 1.033 184 I CA 0.046 61.280 61.300 -0.110 0.000 1.253 184 I CB 0.990 38.802 38.000 -0.314 0.000 1.396 184 I HN 0.905 nan 8.210 nan 0.000 0.476 185 G N 4.533 113.358 108.800 0.042 0.000 3.434 185 G HA2 0.068 4.028 3.960 -0.000 0.000 0.686 185 G HA3 0.068 4.028 3.960 -0.000 0.000 0.686 185 G C -0.241 174.733 174.900 0.124 0.000 1.099 185 G CA -0.374 44.778 45.100 0.086 0.000 0.931 185 G HN 0.910 nan 8.290 nan 0.000 0.520 186 A N 1.898 124.793 122.820 0.124 0.000 2.988 186 A HA 0.741 5.061 4.320 -0.000 0.000 0.288 186 A C 1.441 179.082 177.584 0.094 0.000 1.385 186 A CA 1.098 53.225 52.037 0.151 0.000 1.001 186 A CB -0.312 18.785 19.000 0.162 0.000 1.071 186 A HN 2.078 nan 8.150 nan 0.000 0.608 187 G N -1.162 107.701 108.800 0.105 0.000 2.563 187 G HA2 0.362 4.322 3.960 -0.000 0.000 0.283 187 G HA3 0.362 4.322 3.960 -0.000 0.000 0.283 187 G C 1.146 176.138 174.900 0.153 0.000 1.309 187 G CA 0.140 45.307 45.100 0.113 0.000 1.022 187 G HN 0.154 nan 8.290 nan 0.000 0.501 188 V N 0.664 120.678 119.914 0.166 0.000 2.218 188 V HA -0.243 3.877 4.120 -0.000 0.000 0.251 188 V C 2.906 179.102 176.094 0.170 0.000 1.057 188 V CA 1.937 64.344 62.300 0.178 0.000 1.022 188 V CB -0.680 31.239 31.823 0.160 0.000 0.645 188 V HN 0.585 nan 8.190 nan 0.000 0.451 189 I N 0.844 121.501 120.570 0.145 0.000 2.300 189 I HA -0.244 3.926 4.170 -0.000 0.000 0.252 189 I C 2.431 178.645 176.117 0.162 0.000 1.119 189 I CA 2.121 63.504 61.300 0.139 0.000 1.384 189 I CB -2.291 35.776 38.000 0.112 0.000 1.062 189 I HN 0.441 nan 8.210 nan 0.000 0.426 190 G N 1.785 110.687 108.800 0.170 0.000 2.556 190 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.215 190 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.215 190 G C 1.809 176.870 174.900 0.269 0.000 1.258 190 G CA 1.906 47.126 45.100 0.200 0.000 0.811 190 G HN 0.357 nan 8.290 nan 0.000 0.557 191 V N -0.635 119.421 119.914 0.236 0.000 2.380 191 V HA -0.233 3.887 4.120 -0.000 0.000 0.251 191 V C 2.283 178.530 176.094 0.255 0.000 1.063 191 V CA 2.822 65.219 62.300 0.162 0.000 1.055 191 V CB -0.916 30.933 31.823 0.043 0.000 0.657 191 V HN 0.490 nan 8.190 nan 0.000 0.455 192 E N 0.169 120.510 120.200 0.235 0.000 2.021 192 E HA -0.216 4.134 4.350 -0.000 0.000 0.200 192 E C 2.067 178.788 176.600 0.201 0.000 1.015 192 E CA 2.091 58.620 56.400 0.214 0.000 0.824 192 E CB -0.248 29.566 29.700 0.189 0.000 0.762 192 E HN 0.564 nan 8.360 nan 0.000 0.454 193 L N -0.159 121.185 121.223 0.202 0.000 2.201 193 L HA -0.049 4.291 4.340 -0.000 0.000 0.212 193 L C 2.245 179.278 176.870 0.272 0.000 1.105 193 L CA 1.666 56.627 54.840 0.202 0.000 0.775 193 L CB -0.731 41.458 42.059 0.216 0.000 0.913 193 L HN 0.209 nan 8.230 nan 0.000 0.440 194 G N -2.284 106.711 108.800 0.326 0.000 2.403 194 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 194 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 194 G C 1.836 176.873 174.900 0.229 0.000 1.154 194 G CA 0.863 46.116 45.100 0.254 0.000 0.784 194 G HN 0.360 nan 8.290 nan 0.000 0.538 195 S N -0.583 115.395 115.700 0.463 0.000 2.428 195 S HA -0.023 4.447 4.470 -0.000 0.000 0.230 195 S C 2.452 177.114 174.600 0.103 0.000 1.014 195 S CA 0.954 59.364 58.200 0.350 0.000 0.957 195 S CB -0.108 63.290 63.200 0.330 0.000 0.784 195 S HN 0.121 nan 8.310 nan 0.000 0.499 196 V N -0.119 119.795 119.914 0.001 0.000 2.307 196 V HA -0.118 4.002 4.120 -0.000 0.000 0.245 196 V C 1.757 177.672 176.094 -0.298 0.000 1.045 196 V CA 1.609 63.770 62.300 -0.231 0.000 1.024 196 V CB -0.619 30.938 31.823 -0.443 0.000 0.651 196 V HN 0.667 nan 8.190 nan 0.000 0.449 197 W N -0.785 120.498 121.300 -0.028 0.000 2.658 197 W HA -0.009 4.651 4.660 0.000 0.000 0.263 197 W C 2.546 179.008 176.519 -0.094 0.000 1.274 197 W CA 0.510 57.814 57.345 -0.069 0.000 1.343 197 W CB -0.122 29.287 29.460 -0.086 0.000 1.106 197 W HN 0.135 nan 8.180 nan 0.000 0.615 198 Q N 1.466 121.304 119.800 0.064 0.000 2.079 198 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 198 Q C 1.887 177.887 176.000 0.000 0.000 0.974 198 Q CA 1.481 57.257 55.803 -0.045 0.000 0.840 198 Q CB -0.210 28.423 28.738 -0.175 0.000 0.898 198 Q HN 0.321 nan 8.270 nan 0.000 0.430 199 R N -0.347 120.156 120.500 0.005 0.000 2.189 199 R HA -0.071 4.269 4.340 -0.000 0.000 0.223 199 R C 1.784 178.158 176.300 0.122 0.000 1.092 199 R CA 0.587 56.704 56.100 0.030 0.000 0.989 199 R CB 0.043 30.365 30.300 0.037 0.000 0.876 199 R HN 0.144 nan 8.270 nan 0.000 0.457 200 L N -1.282 119.978 121.223 0.061 0.000 2.592 200 L HA 0.236 4.576 4.340 -0.000 0.000 0.227 200 L C 1.344 178.261 176.870 0.077 0.000 1.127 200 L CA 1.121 55.968 54.840 0.011 0.000 0.884 200 L CB 0.617 42.619 42.059 -0.095 0.000 1.065 200 L HN 0.427 nan 8.230 nan 0.000 0.457 201 G N -2.077 106.786 108.800 0.104 0.000 2.551 201 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.186 201 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.186 201 G C 0.567 175.499 174.900 0.052 0.000 1.002 201 G CA -0.126 45.024 45.100 0.083 0.000 0.723 201 G HN 0.491 nan 8.290 nan 0.000 0.481 202 A N 0.277 123.137 122.820 0.066 0.000 2.386 202 A HA 0.507 4.827 4.320 -0.000 0.000 0.246 202 A C -0.053 177.500 177.584 -0.052 0.000 1.089 202 A CA 0.656 52.697 52.037 0.006 0.000 0.790 202 A CB 0.335 19.345 19.000 0.018 0.000 1.042 202 A HN 0.237 nan 8.150 nan 0.000 0.497 203 D N 1.095 121.441 120.400 -0.090 0.000 2.477 203 D HA 0.356 4.996 4.640 -0.000 0.000 0.239 203 D C -0.835 175.350 176.300 -0.192 0.000 1.102 203 D CA -0.054 53.872 54.000 -0.125 0.000 0.901 203 D CB 0.967 41.711 40.800 -0.092 0.000 1.026 203 D HN 0.391 nan 8.370 nan 0.000 0.515 204 V N 1.998 121.728 119.914 -0.308 0.000 2.483 204 V HA 0.687 4.807 4.120 -0.000 0.000 0.295 204 V C -0.412 175.394 176.094 -0.481 0.000 1.035 204 V CA -0.095 61.954 62.300 -0.418 0.000 0.896 204 V CB 1.758 33.234 31.823 -0.577 0.000 0.986 204 V HN 0.314 nan 8.190 nan 0.000 0.447 205 T N 5.589 119.947 114.554 -0.326 0.000 2.841 205 T HA 0.806 5.156 4.350 -0.000 0.000 0.283 205 T C -0.237 174.359 174.700 -0.173 0.000 1.000 205 T CA 0.021 61.971 62.100 -0.251 0.000 0.977 205 T CB 1.522 70.306 68.868 -0.140 0.000 0.979 205 T HN 1.360 nan 8.240 nan 0.000 0.446 206 A N 2.860 125.617 122.820 -0.106 0.000 2.291 206 A HA 0.726 5.046 4.320 -0.000 0.000 0.311 206 A C -0.468 177.195 177.584 0.132 0.000 1.224 206 A CA -0.592 51.487 52.037 0.070 0.000 0.821 206 A CB 0.678 19.843 19.000 0.276 0.000 1.172 206 A HN 0.673 nan 8.150 nan 0.000 0.494 207 V N 2.244 122.205 119.914 0.078 0.000 2.472 207 V HA 0.657 4.777 4.120 -0.000 0.000 0.290 207 V C -0.138 176.009 176.094 0.088 0.000 1.037 207 V CA -0.268 62.074 62.300 0.070 0.000 0.908 207 V CB 1.451 33.284 31.823 0.016 0.000 0.985 207 V HN 1.021 nan 8.190 nan 0.000 0.454 208 E N 2.752 123.010 120.200 0.096 0.000 2.321 208 E HA 0.326 4.676 4.350 -0.000 0.000 0.278 208 E C -0.387 176.281 176.600 0.113 0.000 0.902 208 E CA -0.620 55.845 56.400 0.108 0.000 0.758 208 E CB 1.426 31.177 29.700 0.085 0.000 1.213 208 E HN 0.342 nan 8.360 nan 0.000 0.426 209 F N 3.674 123.643 119.950 0.032 0.000 2.206 209 F HA 0.294 4.821 4.527 -0.000 0.000 0.298 209 F C 0.311 176.121 175.800 0.018 0.000 1.090 209 F CA 0.721 58.745 58.000 0.039 0.000 1.323 209 F CB 0.267 39.301 39.000 0.058 0.000 1.028 209 F HN 0.469 nan 8.300 nan 0.000 0.492 210 L N -0.638 120.727 121.223 0.237 0.000 2.468 210 L HA 0.247 4.587 4.340 -0.000 0.000 0.254 210 L C 1.671 178.553 176.870 0.021 0.000 1.171 210 L CA 0.113 55.035 54.840 0.136 0.000 0.809 210 L CB 0.403 42.474 42.059 0.020 0.000 1.155 210 L HN 0.069 nan 8.230 nan 0.000 0.473 211 G N -0.522 108.331 108.800 0.087 0.000 3.210 211 G HA2 0.048 4.008 3.960 -0.000 0.000 0.220 211 G HA3 0.048 4.008 3.960 -0.000 0.000 0.220 211 G C 0.121 175.088 174.900 0.112 0.000 1.200 211 G CA 0.116 45.262 45.100 0.076 0.000 0.834 211 G HN 0.724 nan 8.290 nan 0.000 0.524 212 H N -2.039 117.014 119.070 -0.029 0.000 3.038 212 H HA 0.458 5.014 4.556 -0.000 0.000 0.362 212 H C -0.837 174.444 175.328 -0.078 0.000 1.167 212 H CA -0.898 55.107 56.048 -0.071 0.000 1.197 212 H CB 1.025 30.747 29.762 -0.066 0.000 1.840 212 H HN 0.086 nan 8.280 nan 0.000 0.540 213 V N 0.126 119.957 119.914 -0.138 0.000 3.036 213 V HA 0.815 4.935 4.120 -0.000 0.000 0.308 213 V C 0.806 176.914 176.094 0.024 0.000 1.070 213 V CA 0.482 62.672 62.300 -0.184 0.000 1.056 213 V CB 0.580 32.135 31.823 -0.447 0.000 1.084 213 V HN 1.569 nan 8.190 nan 0.000 0.471 214 G N 1.410 110.261 108.800 0.084 0.000 2.712 214 G HA2 0.314 4.274 3.960 -0.000 0.000 0.686 214 G HA3 0.314 4.274 3.960 -0.000 0.000 0.686 214 G C 0.149 175.145 174.900 0.159 0.000 1.321 214 G CA -0.096 45.115 45.100 0.184 0.000 0.813 214 G HN 1.730 nan 8.290 nan 0.000 0.599 215 G N -0.871 108.058 108.800 0.214 0.000 3.048 215 G HA2 0.585 4.545 3.960 -0.000 0.000 0.151 215 G HA3 0.585 4.545 3.960 -0.000 0.000 0.151 215 G C 0.749 175.790 174.900 0.235 0.000 1.803 215 G CA 0.779 45.992 45.100 0.190 0.000 1.047 215 G HN 1.776 nan 8.290 nan 0.000 0.513 216 V N -0.363 119.683 119.914 0.220 0.000 2.863 216 V HA 0.541 4.661 4.120 -0.000 0.000 0.307 216 V C 1.585 177.805 176.094 0.211 0.000 1.061 216 V CA 1.262 63.684 62.300 0.204 0.000 1.024 216 V CB 0.832 32.743 31.823 0.147 0.000 1.049 216 V HN 1.912 nan 8.190 nan 0.000 0.471 217 G N 4.516 113.387 108.800 0.118 0.000 2.302 217 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.263 217 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.263 217 G C 0.556 175.327 174.900 -0.214 0.000 0.995 217 G CA 0.451 45.612 45.100 0.103 0.000 0.622 217 G HN 0.747 nan 8.290 nan 0.000 0.538 218 I N 2.009 122.330 120.570 -0.415 0.000 2.872 218 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 218 I C 0.566 176.266 176.117 -0.694 0.000 1.216 218 I CA 0.557 61.231 61.300 -1.043 0.000 1.424 218 I CB 0.619 38.282 38.000 -0.560 0.000 1.351 218 I HN 0.390 nan 8.210 nan 0.000 0.592 219 D N 5.277 125.224 120.400 -0.755 0.000 2.256 219 D HA 0.077 4.717 4.640 -0.000 0.000 0.250 219 D C 0.942 177.000 176.300 -0.402 0.000 1.093 219 D CA -0.461 53.198 54.000 -0.568 0.000 0.882 219 D CB 1.101 41.456 40.800 -0.742 0.000 1.185 219 D HN 0.407 nan 8.370 nan 0.000 0.437 220 M N 2.851 122.249 119.600 -0.336 0.000 2.088 220 M HA -0.184 4.296 4.480 -0.000 0.000 0.256 220 M C 1.791 177.982 176.300 -0.182 0.000 1.071 220 M CA 1.944 57.092 55.300 -0.254 0.000 1.097 220 M CB -0.845 31.631 32.600 -0.208 0.000 1.315 220 M HN 0.769 nan 8.290 nan 0.000 0.406 221 E N -0.429 119.668 120.200 -0.172 0.000 2.150 221 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 221 E C 1.970 178.507 176.600 -0.105 0.000 0.985 221 E CA 1.574 57.903 56.400 -0.118 0.000 0.814 221 E CB -0.606 29.035 29.700 -0.098 0.000 0.752 221 E HN 0.713 nan 8.360 nan 0.000 0.466 222 I N -0.739 119.741 120.570 -0.150 0.000 3.059 222 I HA -0.054 4.116 4.170 -0.000 0.000 0.270 222 I C 2.258 178.341 176.117 -0.057 0.000 1.238 222 I CA 1.052 62.291 61.300 -0.101 0.000 1.478 222 I CB -0.067 37.860 38.000 -0.121 0.000 1.097 222 I HN 0.109 nan 8.210 nan 0.000 0.455 223 S N 1.658 117.302 115.700 -0.094 0.000 2.357 223 S HA -0.168 4.302 4.470 -0.000 0.000 0.221 223 S C 2.043 176.646 174.600 0.004 0.000 1.031 223 S CA 1.416 59.610 58.200 -0.010 0.000 0.982 223 S CB -0.153 63.028 63.200 -0.030 0.000 0.853 223 S HN 0.425 nan 8.310 nan 0.000 0.458 224 K N 1.578 121.955 120.400 -0.038 0.000 2.032 224 K HA 0.039 4.359 4.320 -0.000 0.000 0.209 224 K C 1.904 178.488 176.600 -0.026 0.000 1.048 224 K CA 1.961 58.221 56.287 -0.045 0.000 0.927 224 K CB -0.498 31.975 32.500 -0.046 0.000 0.712 224 K HN 0.417 nan 8.250 nan 0.000 0.441 225 N N -0.669 118.032 118.700 0.002 0.000 2.244 225 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 225 N C 1.311 176.874 175.510 0.088 0.000 1.016 225 N CA 0.738 53.806 53.050 0.030 0.000 0.866 225 N CB -0.181 38.325 38.487 0.031 0.000 0.980 225 N HN 0.077 nan 8.380 nan 0.000 0.430 226 F N 1.839 121.737 119.950 -0.087 0.000 2.113 226 F HA -0.076 4.451 4.527 -0.000 0.000 0.297 226 F C 2.364 178.086 175.800 -0.131 0.000 1.103 226 F CA 1.364 59.309 58.000 -0.093 0.000 1.248 226 F CB -0.819 38.119 39.000 -0.103 0.000 0.999 226 F HN 0.083 nan 8.300 nan 0.000 0.475 227 Q N 0.171 119.812 119.800 -0.266 0.000 1.956 227 Q HA -0.319 4.021 4.340 -0.000 0.000 0.208 227 Q C 2.429 178.290 176.000 -0.231 0.000 0.998 227 Q CA 2.217 57.738 55.803 -0.469 0.000 0.855 227 Q CB -0.357 28.128 28.738 -0.421 0.000 0.928 227 Q HN 0.200 nan 8.270 nan 0.000 0.418 228 R N 0.133 120.568 120.500 -0.109 0.000 2.165 228 R HA -0.194 4.146 4.340 -0.000 0.000 0.254 228 R C 2.117 178.409 176.300 -0.014 0.000 1.153 228 R CA 2.054 58.133 56.100 -0.035 0.000 0.971 228 R CB -0.462 29.832 30.300 -0.011 0.000 0.878 228 R HN 0.457 nan 8.270 nan 0.000 0.449 229 I N -0.589 119.964 120.570 -0.029 0.000 2.162 229 I HA -0.247 3.923 4.170 -0.000 0.000 0.238 229 I C 1.966 178.073 176.117 -0.017 0.000 1.076 229 I CA 1.013 62.313 61.300 -0.001 0.000 1.353 229 I CB -0.229 37.792 38.000 0.034 0.000 1.063 229 I HN 0.149 nan 8.210 nan 0.000 0.408 230 L N 0.321 121.472 121.223 -0.120 0.000 2.187 230 L HA -0.269 4.071 4.340 -0.000 0.000 0.213 230 L C 2.596 179.537 176.870 0.118 0.000 1.100 230 L CA 1.326 56.123 54.840 -0.071 0.000 0.765 230 L CB -0.533 41.342 42.059 -0.306 0.000 0.904 230 L HN 0.382 nan 8.230 nan 0.000 0.437 231 Q N -0.005 119.869 119.800 0.123 0.000 2.016 231 Q HA -0.208 4.132 4.340 -0.000 0.000 0.200 231 Q C 2.178 178.239 176.000 0.102 0.000 0.978 231 Q CA 1.432 57.333 55.803 0.163 0.000 0.833 231 Q CB -0.047 28.779 28.738 0.147 0.000 0.895 231 Q HN 0.474 nan 8.270 nan 0.000 0.427 232 K N 0.685 121.128 120.400 0.072 0.000 2.211 232 K HA -0.196 4.124 4.320 -0.000 0.000 0.204 232 K C 1.931 178.572 176.600 0.068 0.000 1.047 232 K CA 1.245 57.570 56.287 0.063 0.000 0.935 232 K CB -0.105 32.429 32.500 0.057 0.000 0.728 232 K HN 0.366 nan 8.250 nan 0.000 0.452 233 Q N -0.484 119.357 119.800 0.069 0.000 2.297 233 Q HA -0.005 4.335 4.340 -0.000 0.000 0.204 233 Q C 1.303 177.326 176.000 0.039 0.000 0.962 233 Q CA 1.016 56.848 55.803 0.048 0.000 0.879 233 Q CB 0.306 29.058 28.738 0.024 0.000 0.947 233 Q HN 0.558 nan 8.270 nan 0.000 0.462 234 G N 0.200 109.037 108.800 0.063 0.000 2.318 234 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.172 234 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.172 234 G C -0.376 174.531 174.900 0.012 0.000 1.002 234 G CA -0.649 44.467 45.100 0.028 0.000 0.697 234 G HN 0.250 nan 8.290 nan 0.000 0.483 235 F N 3.371 123.259 119.950 -0.103 0.000 2.506 235 F HA 0.556 5.082 4.527 -0.000 0.000 0.371 235 F C 0.789 176.372 175.800 -0.362 0.000 1.078 235 F CA -0.064 57.788 58.000 -0.247 0.000 1.195 235 F CB 0.568 39.436 39.000 -0.221 0.000 1.099 235 F HN -0.067 nan 8.300 nan 0.000 0.548 236 K N 6.150 126.418 120.400 -0.219 0.000 2.159 236 K HA 0.468 4.788 4.320 -0.000 0.000 0.266 236 K C -1.328 175.068 176.600 -0.341 0.000 0.975 236 K CA -0.456 55.731 56.287 -0.167 0.000 0.865 236 K CB 1.300 33.725 32.500 -0.125 0.000 1.087 236 K HN 0.386 nan 8.250 nan 0.000 0.446 237 F N 1.185 121.205 119.950 0.116 0.000 2.563 237 F HA 0.413 4.940 4.527 -0.000 0.000 0.316 237 F C -0.081 175.740 175.800 0.036 0.000 1.076 237 F CA -0.946 57.105 58.000 0.086 0.000 0.921 237 F CB 1.932 40.954 39.000 0.037 0.000 1.209 237 F HN 0.163 nan 8.300 nan 0.000 0.462 238 K N 3.030 123.568 120.400 0.230 0.000 2.621 238 K HA 0.518 4.838 4.320 -0.000 0.000 0.233 238 K C -1.239 175.421 176.600 0.100 0.000 0.972 238 K CA -0.097 56.261 56.287 0.118 0.000 0.988 238 K CB 0.800 33.336 32.500 0.060 0.000 1.187 238 K HN 0.509 nan 8.250 nan 0.000 0.471 239 L N 2.125 123.389 121.223 0.069 0.000 2.454 239 L HA 0.331 4.671 4.340 -0.000 0.000 0.256 239 L C 0.273 177.124 176.870 -0.031 0.000 1.136 239 L CA -0.835 54.017 54.840 0.019 0.000 0.804 239 L CB 0.583 42.644 42.059 0.003 0.000 1.181 239 L HN 0.743 nan 8.230 nan 0.000 0.469 240 N N -0.793 117.860 118.700 -0.078 0.000 2.701 240 N HA -0.185 4.555 4.740 -0.000 0.000 0.257 240 N C -0.812 174.581 175.510 -0.195 0.000 0.969 240 N CA 0.689 53.628 53.050 -0.186 0.000 0.786 240 N CB -1.270 37.130 38.487 -0.145 0.000 0.917 240 N HN 0.604 nan 8.380 nan 0.000 0.541 241 T N -0.230 114.238 114.554 -0.144 0.000 2.924 241 T HA 0.580 4.930 4.350 -0.000 0.000 0.291 241 T C 0.068 174.730 174.700 -0.063 0.000 1.045 241 T CA -1.021 61.025 62.100 -0.090 0.000 1.015 241 T CB 2.183 71.040 68.868 -0.019 0.000 1.103 241 T HN 0.333 nan 8.240 nan 0.000 0.496 242 K N 0.084 120.487 120.400 0.006 0.000 2.371 242 K HA 0.718 5.038 4.320 -0.000 0.000 0.251 242 K C -0.993 175.705 176.600 0.163 0.000 0.934 242 K CA -0.930 55.452 56.287 0.157 0.000 0.798 242 K CB 2.158 34.805 32.500 0.245 0.000 1.204 242 K HN 0.424 nan 8.250 nan 0.000 0.427 243 V N 3.251 123.304 119.914 0.232 0.000 2.461 243 V HA 0.162 4.282 4.120 -0.000 0.000 0.275 243 V C 0.731 177.017 176.094 0.320 0.000 1.047 243 V CA 0.469 62.880 62.300 0.186 0.000 0.955 243 V CB 0.902 32.714 31.823 -0.018 0.000 0.988 243 V HN 1.065 nan 8.190 nan 0.000 0.471 244 T N 2.941 117.615 114.554 0.200 0.000 3.037 244 T HA 0.557 4.907 4.350 -0.000 0.000 0.252 244 T C 0.835 175.637 174.700 0.170 0.000 1.073 244 T CA 0.465 62.665 62.100 0.167 0.000 1.091 244 T CB 0.154 69.082 68.868 0.100 0.000 0.935 244 T HN 1.635 nan 8.240 nan 0.000 0.488 245 G N -0.099 108.804 108.800 0.172 0.000 2.316 245 G HA2 0.566 4.526 3.960 -0.000 0.000 0.296 245 G HA3 0.566 4.526 3.960 -0.000 0.000 0.296 245 G C -2.018 172.943 174.900 0.102 0.000 1.399 245 G CA -0.470 44.728 45.100 0.163 0.000 0.833 245 G HN 0.657 nan 8.290 nan 0.000 0.565 246 A N -0.670 122.202 122.820 0.087 0.000 2.435 246 A HA 0.966 5.286 4.320 -0.000 0.000 0.304 246 A C -0.292 177.312 177.584 0.034 0.000 1.064 246 A CA 0.073 52.136 52.037 0.042 0.000 0.727 246 A CB 2.155 21.170 19.000 0.025 0.000 1.284 246 A HN 2.000 nan 8.150 nan 0.000 0.415 247 T N 0.548 115.112 114.554 0.017 0.000 2.886 247 T HA 0.517 4.867 4.350 -0.000 0.000 0.292 247 T C -0.899 173.802 174.700 0.000 0.000 1.012 247 T CA -0.527 61.580 62.100 0.011 0.000 0.982 247 T CB 0.901 69.776 68.868 0.012 0.000 1.018 247 T HN 0.596 nan 8.240 nan 0.000 0.451 248 K N 4.209 124.608 120.400 -0.001 0.000 2.267 248 K HA 0.341 4.661 4.320 -0.000 0.000 0.282 248 K C 0.404 176.998 176.600 -0.009 0.000 1.078 248 K CA -0.604 55.678 56.287 -0.009 0.000 0.903 248 K CB 0.540 33.035 32.500 -0.008 0.000 1.111 248 K HN 0.540 nan 8.250 nan 0.000 0.475 249 K N 0.811 121.203 120.400 -0.013 0.000 2.132 249 K HA 0.034 4.354 4.320 -0.000 0.000 0.240 249 K C 1.036 177.628 176.600 -0.013 0.000 1.036 249 K CA -0.129 56.151 56.287 -0.013 0.000 0.888 249 K CB 0.978 33.469 32.500 -0.015 0.000 1.071 249 K HN 0.445 nan 8.250 nan 0.000 0.502 250 S N 1.116 116.809 115.700 -0.011 0.000 2.357 250 S HA -0.120 4.350 4.470 -0.000 0.000 0.221 250 S C 1.212 175.804 174.600 -0.013 0.000 1.031 250 S CA 1.545 59.738 58.200 -0.011 0.000 0.982 250 S CB -0.178 63.017 63.200 -0.009 0.000 0.853 250 S HN 0.733 nan 8.310 nan 0.000 0.458 251 D N -0.564 119.827 120.400 -0.015 0.000 2.378 251 D HA 0.074 4.714 4.640 -0.000 0.000 0.227 251 D C 1.288 177.575 176.300 -0.021 0.000 1.012 251 D CA 1.075 55.065 54.000 -0.017 0.000 0.905 251 D CB -0.044 40.746 40.800 -0.017 0.000 0.895 251 D HN 0.558 nan 8.370 nan 0.000 0.532 252 G N 0.111 108.897 108.800 -0.023 0.000 2.481 252 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.200 252 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.200 252 G C 0.410 175.289 174.900 -0.035 0.000 1.012 252 G CA -0.192 44.890 45.100 -0.029 0.000 0.676 252 G HN 0.267 nan 8.290 nan 0.000 0.488 253 K N 0.600 120.979 120.400 -0.034 0.000 2.188 253 K HA 0.711 5.031 4.320 -0.000 0.000 0.246 253 K C 0.518 177.096 176.600 -0.036 0.000 1.026 253 K CA 0.168 56.432 56.287 -0.039 0.000 0.871 253 K CB 0.199 32.678 32.500 -0.035 0.000 1.042 253 K HN 0.396 nan 8.250 nan 0.000 0.509 254 I N 0.457 121.003 120.570 -0.040 0.000 2.647 254 I HA 0.205 4.375 4.170 -0.000 0.000 0.295 254 I C -1.055 175.042 176.117 -0.032 0.000 1.078 254 I CA -0.771 60.508 61.300 -0.035 0.000 1.048 254 I CB 2.360 40.334 38.000 -0.043 0.000 1.239 254 I HN 0.429 nan 8.210 nan 0.000 0.421 255 D N 4.480 124.867 120.400 -0.022 0.000 2.425 255 D HA 0.383 5.023 4.640 -0.000 0.000 0.240 255 D C -0.688 175.604 176.300 -0.013 0.000 1.080 255 D CA -0.158 53.832 54.000 -0.018 0.000 0.836 255 D CB 1.857 42.651 40.800 -0.010 0.000 1.125 255 D HN 0.260 nan 8.370 nan 0.000 0.525 256 V N 0.655 120.557 119.914 -0.020 0.000 2.439 256 V HA 0.595 4.715 4.120 -0.000 0.000 0.282 256 V C 0.113 176.207 176.094 0.000 0.000 1.039 256 V CA -0.667 61.625 62.300 -0.014 0.000 0.913 256 V CB 1.687 33.488 31.823 -0.037 0.000 0.983 256 V HN 0.369 nan 8.190 nan 0.000 0.460 257 S N 6.185 121.897 115.700 0.020 0.000 2.465 257 S HA 0.683 5.153 4.470 -0.000 0.000 0.279 257 S C -0.031 174.592 174.600 0.037 0.000 1.201 257 S CA -0.379 57.837 58.200 0.028 0.000 1.053 257 S CB 0.411 63.634 63.200 0.038 0.000 0.953 257 S HN 0.928 nan 8.310 nan 0.000 0.488 258 I N 0.454 121.039 120.570 0.025 0.000 3.217 258 I HA 0.907 5.077 4.170 -0.000 0.000 0.308 258 I C -0.355 175.778 176.117 0.027 0.000 1.091 258 I CA -0.821 60.496 61.300 0.029 0.000 1.013 258 I CB 1.503 39.510 38.000 0.011 0.000 1.250 258 I HN 0.605 nan 8.210 nan 0.000 0.496 259 E N 0.877 121.090 120.200 0.021 0.000 2.405 259 E HA 0.508 4.858 4.350 -0.000 0.000 0.283 259 E C -1.744 174.849 176.600 -0.013 0.000 1.140 259 E CA -0.838 55.568 56.400 0.011 0.000 0.904 259 E CB 1.300 31.016 29.700 0.027 0.000 1.209 259 E HN 1.109 nan 8.360 nan 0.000 0.428 260 A N 2.327 125.131 122.820 -0.027 0.000 2.522 260 A HA 0.472 4.791 4.320 -0.000 0.000 0.256 260 A C 1.225 178.752 177.584 -0.094 0.000 1.086 260 A CA 0.858 52.858 52.037 -0.063 0.000 0.763 260 A CB 0.364 19.334 19.000 -0.049 0.000 1.024 260 A HN 0.804 nan 8.150 nan 0.000 0.502 261 A N 3.465 126.160 122.820 -0.208 0.000 1.869 261 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 261 A C 2.497 179.982 177.584 -0.164 0.000 1.203 261 A CA 2.684 54.516 52.037 -0.341 0.000 0.638 261 A CB -1.446 16.983 19.000 -0.952 0.000 0.831 261 A HN 1.328 nan 8.150 nan 0.000 0.450 262 S N -0.119 115.490 115.700 -0.151 0.000 2.531 262 S HA -0.031 4.439 4.470 -0.000 0.000 0.235 262 S C 1.728 176.315 174.600 -0.022 0.000 1.061 262 S CA 1.253 59.416 58.200 -0.061 0.000 1.250 262 S CB -1.496 61.670 63.200 -0.057 0.000 1.183 262 S HN 0.951 nan 8.310 nan 0.000 0.413 263 G N 0.311 109.098 108.800 -0.022 0.000 3.311 263 G HA2 0.482 4.442 3.960 -0.000 0.000 0.169 263 G HA3 0.482 4.442 3.960 -0.000 0.000 0.169 263 G C 0.332 175.230 174.900 -0.003 0.000 1.852 263 G CA 0.070 45.166 45.100 -0.006 0.000 1.010 263 G HN 1.201 nan 8.290 nan 0.000 0.530 264 G N -0.415 108.384 108.800 -0.002 0.000 4.574 264 G HA2 0.373 4.333 3.960 -0.000 0.000 0.236 264 G HA3 0.373 4.333 3.960 -0.000 0.000 0.236 264 G C -0.507 174.395 174.900 0.003 0.000 1.733 264 G CA -0.480 44.622 45.100 0.003 0.000 0.605 264 G HN 0.194 nan 8.290 nan 0.000 0.352 265 K N 1.719 122.117 120.400 -0.003 0.000 2.110 265 K HA 0.517 4.837 4.320 -0.000 0.000 0.260 265 K C 0.901 177.502 176.600 0.001 0.000 1.126 265 K CA -0.270 56.016 56.287 -0.001 0.000 1.005 265 K CB 0.491 32.988 32.500 -0.004 0.000 1.336 265 K HN 0.546 nan 8.250 nan 0.000 0.369 266 A N 2.217 125.041 122.820 0.006 0.000 2.386 266 A HA 0.310 4.630 4.320 -0.000 0.000 0.246 266 A C 0.285 177.873 177.584 0.006 0.000 1.089 266 A CA 0.081 52.123 52.037 0.009 0.000 0.790 266 A CB 0.353 19.360 19.000 0.012 0.000 1.042 266 A HN 0.729 nan 8.150 nan 0.000 0.497 267 E N -0.072 120.132 120.200 0.007 0.000 2.405 267 E HA 0.389 4.739 4.350 -0.000 0.000 0.283 267 E C -2.151 174.451 176.600 0.003 0.000 1.140 267 E CA -0.613 55.789 56.400 0.003 0.000 0.904 267 E CB 1.050 30.750 29.700 0.000 0.000 1.209 267 E HN 0.503 nan 8.360 nan 0.000 0.428 268 V N 3.478 123.391 119.914 -0.001 0.000 2.732 268 V HA 0.598 4.718 4.120 -0.000 0.000 0.310 268 V C -0.050 176.037 176.094 -0.012 0.000 1.053 268 V CA -0.569 61.728 62.300 -0.004 0.000 0.957 268 V CB 1.601 33.422 31.823 -0.003 0.000 1.018 268 V HN 0.505 nan 8.190 nan 0.000 0.452 269 I N 2.332 122.892 120.570 -0.018 0.000 2.468 269 I HA 0.276 4.446 4.170 -0.000 0.000 0.284 269 I C 0.130 176.228 176.117 -0.033 0.000 1.038 269 I CA -0.243 61.041 61.300 -0.028 0.000 1.083 269 I CB 1.973 39.952 38.000 -0.035 0.000 1.223 269 I HN 0.617 nan 8.210 nan 0.000 0.443 270 T N 4.960 119.495 114.554 -0.033 0.000 2.813 270 T HA 0.553 4.903 4.350 -0.000 0.000 0.297 270 T C -0.262 174.408 174.700 -0.050 0.000 1.036 270 T CA -0.054 62.024 62.100 -0.037 0.000 1.044 270 T CB 0.715 69.564 68.868 -0.032 0.000 0.993 270 T HN 0.937 nan 8.240 nan 0.000 0.535 271 C N 2.115 121.382 119.300 -0.056 0.000 3.197 271 C HA 0.481 4.941 4.460 -0.000 0.000 0.343 271 C C 0.250 175.194 174.990 -0.077 0.000 1.291 271 C CA -0.728 58.247 59.018 -0.072 0.000 1.191 271 C CB 0.270 27.960 27.740 -0.084 0.000 1.444 271 C HN 0.772 nan 8.230 nan 0.000 0.468 272 D N 0.374 120.719 120.400 -0.092 0.000 2.271 272 D HA 0.280 4.920 4.640 -0.000 0.000 0.206 272 D C 0.392 176.626 176.300 -0.111 0.000 0.967 272 D CA 0.912 54.855 54.000 -0.095 0.000 0.867 272 D CB 0.379 41.117 40.800 -0.103 0.000 0.960 272 D HN 0.592 nan 8.370 nan 0.000 0.509 273 V N 1.201 121.036 119.914 -0.132 0.000 2.733 273 V HA 0.309 4.429 4.120 -0.000 0.000 0.306 273 V C -1.337 174.678 176.094 -0.132 0.000 1.084 273 V CA -0.979 61.232 62.300 -0.148 0.000 0.905 273 V CB 2.661 34.353 31.823 -0.218 0.000 1.010 273 V HN -0.102 nan 8.190 nan 0.000 0.424 274 L N 5.176 126.334 121.223 -0.108 0.000 2.296 274 L HA 0.595 4.935 4.340 -0.000 0.000 0.286 274 L C -0.649 176.168 176.870 -0.087 0.000 1.023 274 L CA -0.182 54.600 54.840 -0.097 0.000 0.812 274 L CB 1.348 43.358 42.059 -0.083 0.000 1.223 274 L HN 0.665 nan 8.230 nan 0.000 0.421 275 L N 6.353 127.530 121.223 -0.078 0.000 2.264 275 L HA 0.459 4.799 4.340 -0.000 0.000 0.287 275 L C -0.982 175.866 176.870 -0.037 0.000 1.039 275 L CA -0.619 54.195 54.840 -0.042 0.000 0.829 275 L CB 1.397 43.450 42.059 -0.011 0.000 1.211 275 L HN 0.365 nan 8.230 nan 0.000 0.427 276 V N 5.004 124.901 119.914 -0.028 0.000 2.353 276 V HA 0.165 4.285 4.120 -0.000 0.000 0.264 276 V C 0.031 176.137 176.094 0.020 0.000 1.049 276 V CA -0.362 61.920 62.300 -0.029 0.000 0.896 276 V CB 0.654 32.476 31.823 -0.002 0.000 1.025 276 V HN 0.933 nan 8.190 nan 0.000 0.475 277 C N 4.491 123.807 119.300 0.028 0.000 2.949 277 C HA 0.561 5.021 4.460 -0.000 0.000 0.306 277 C C 0.820 175.855 174.990 0.075 0.000 1.045 277 C CA -0.878 58.178 59.018 0.063 0.000 1.414 277 C CB -0.779 27.006 27.740 0.076 0.000 1.854 277 C HN 0.853 nan 8.230 nan 0.000 0.487 278 I N 0.376 121.006 120.570 0.100 0.000 3.968 278 I HA 0.688 4.858 4.170 -0.000 0.000 0.328 278 I C 0.842 177.020 176.117 0.101 0.000 1.290 278 I CA 0.471 61.843 61.300 0.120 0.000 1.163 278 I CB 0.269 38.389 38.000 0.200 0.000 1.024 278 I HN 0.894 nan 8.210 nan 0.000 0.413 279 G N 0.954 109.808 108.800 0.091 0.000 2.320 279 G HA2 0.362 4.322 3.960 -0.000 0.000 0.297 279 G HA3 0.362 4.322 3.960 -0.000 0.000 0.297 279 G C -1.604 173.338 174.900 0.070 0.000 1.344 279 G CA -1.073 44.072 45.100 0.075 0.000 0.851 279 G HN 0.093 nan 8.290 nan 0.000 0.567 280 R N -0.505 120.031 120.500 0.060 0.000 2.803 280 R HA 0.779 5.119 4.340 -0.000 0.000 0.276 280 R C -0.273 176.061 176.300 0.056 0.000 0.978 280 R CA -0.924 55.211 56.100 0.058 0.000 0.939 280 R CB 2.367 32.697 30.300 0.051 0.000 1.179 280 R HN 0.787 nan 8.270 nan 0.000 0.472 281 R N 0.267 120.808 120.500 0.068 0.000 2.808 281 R HA 0.511 4.851 4.340 -0.000 0.000 0.272 281 R C -2.950 173.405 176.300 0.091 0.000 0.995 281 R CA -2.326 53.814 56.100 0.067 0.000 0.917 281 R CB 0.806 31.145 30.300 0.065 0.000 1.217 281 R HN 0.243 nan 8.270 nan 0.000 0.471 282 P HA -0.009 nan 4.420 nan 0.000 0.267 282 P C -1.376 176.001 177.300 0.129 0.000 1.205 282 P CA 0.045 63.196 63.100 0.086 0.000 0.765 282 P CB 0.238 31.963 31.700 0.043 0.000 0.828 283 F N 3.430 123.392 119.950 0.020 0.000 2.415 283 F HA 0.520 5.047 4.527 -0.000 0.000 0.348 283 F C 0.616 176.437 175.800 0.034 0.000 1.119 283 F CA 0.032 58.049 58.000 0.028 0.000 1.069 283 F CB 1.506 40.521 39.000 0.024 0.000 1.124 283 F HN 0.222 nan 8.300 nan 0.000 0.472 284 T N 4.850 118.949 114.554 -0.759 0.000 4.041 284 T HA 0.223 4.573 4.350 -0.000 0.000 0.316 284 T C -0.774 173.647 174.700 -0.464 0.000 0.919 284 T CA -0.498 61.335 62.100 -0.445 0.000 0.994 284 T CB -0.500 68.264 68.868 -0.173 0.000 1.154 284 T HN 0.624 nan 8.240 nan 0.000 0.475 285 K N 1.219 121.139 120.400 -0.800 0.000 2.118 285 K HA 0.495 4.815 4.320 -0.000 0.000 0.267 285 K C 0.393 176.941 176.600 -0.087 0.000 0.991 285 K CA -0.743 55.327 56.287 -0.362 0.000 0.916 285 K CB 0.528 32.855 32.500 -0.288 0.000 1.041 285 K HN 0.314 nan 8.250 nan 0.000 0.455 286 N N 0.382 119.047 118.700 -0.058 0.000 2.741 286 N HA -0.193 4.547 4.740 -0.000 0.000 0.250 286 N C 0.044 175.575 175.510 0.034 0.000 1.115 286 N CA -0.038 52.983 53.050 -0.050 0.000 0.724 286 N CB -0.520 37.827 38.487 -0.235 0.000 1.090 286 N HN 0.389 nan 8.380 nan 0.000 0.558 287 L N -0.278 120.957 121.223 0.020 0.000 2.513 287 L HA 0.298 4.638 4.340 -0.000 0.000 0.222 287 L C 1.539 178.421 176.870 0.019 0.000 1.096 287 L CA 1.985 56.852 54.840 0.044 0.000 0.857 287 L CB -0.058 42.009 42.059 0.013 0.000 1.026 287 L HN 0.349 nan 8.230 nan 0.000 0.469 288 G N -0.646 108.151 108.800 -0.005 0.000 2.160 288 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.244 288 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.244 288 G C 0.825 175.720 174.900 -0.009 0.000 1.022 288 G CA 0.487 45.583 45.100 -0.008 0.000 0.741 288 G HN 0.261 nan 8.290 nan 0.000 0.508 289 L N 0.010 121.223 121.223 -0.016 0.000 2.141 289 L HA 0.126 4.466 4.340 -0.000 0.000 0.209 289 L C 2.585 179.445 176.870 -0.017 0.000 1.094 289 L CA 2.595 57.426 54.840 -0.015 0.000 0.763 289 L CB -0.714 41.332 42.059 -0.022 0.000 0.908 289 L HN 0.492 nan 8.230 nan 0.000 0.437 290 E N -0.088 120.100 120.200 -0.020 0.000 2.007 290 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 290 E C 1.684 178.274 176.600 -0.016 0.000 0.999 290 E CA 1.234 57.622 56.400 -0.019 0.000 0.811 290 E CB -0.292 29.395 29.700 -0.022 0.000 0.762 290 E HN 0.337 nan 8.360 nan 0.000 0.450 291 E N 0.094 120.285 120.200 -0.015 0.000 2.526 291 E HA -0.082 4.268 4.350 -0.000 0.000 0.206 291 E C 0.905 177.499 176.600 -0.010 0.000 1.139 291 E CA 0.497 56.889 56.400 -0.012 0.000 0.913 291 E CB -0.142 29.551 29.700 -0.011 0.000 0.868 291 E HN 0.251 nan 8.360 nan 0.000 0.564 292 L N -1.817 119.400 121.223 -0.011 0.000 3.039 292 L HA 0.255 4.595 4.340 -0.000 0.000 0.269 292 L C 1.104 177.966 176.870 -0.012 0.000 1.169 292 L CA 0.207 55.041 54.840 -0.010 0.000 0.986 292 L CB 0.567 42.621 42.059 -0.008 0.000 1.377 292 L HN 0.326 nan 8.230 nan 0.000 0.575 293 G N 1.771 110.563 108.800 -0.013 0.000 2.160 293 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.251 293 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.251 293 G C 0.053 174.944 174.900 -0.016 0.000 1.008 293 G CA 0.055 45.146 45.100 -0.015 0.000 0.724 293 G HN 0.277 nan 8.290 nan 0.000 0.514 294 I N 1.554 122.114 120.570 -0.016 0.000 2.291 294 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 294 I C 0.516 176.623 176.117 -0.017 0.000 1.064 294 I CA -0.566 60.724 61.300 -0.017 0.000 1.269 294 I CB 0.727 38.718 38.000 -0.015 0.000 1.418 294 I HN 0.019 nan 8.210 nan 0.000 0.485 295 E N 6.517 126.707 120.200 -0.016 0.000 2.383 295 E HA 0.296 4.646 4.350 -0.000 0.000 0.264 295 E C -0.216 176.375 176.600 -0.015 0.000 1.050 295 E CA -0.266 56.124 56.400 -0.016 0.000 0.896 295 E CB 1.068 30.759 29.700 -0.015 0.000 0.982 295 E HN 0.416 nan 8.360 nan 0.000 0.424 296 L N 1.594 122.807 121.223 -0.016 0.000 2.456 296 L HA 0.200 4.540 4.340 -0.000 0.000 0.257 296 L C 1.040 177.902 176.870 -0.012 0.000 1.162 296 L CA -0.775 54.056 54.840 -0.014 0.000 0.808 296 L CB 0.224 42.273 42.059 -0.018 0.000 1.136 296 L HN 0.492 nan 8.230 nan 0.000 0.466 297 D N 1.265 121.659 120.400 -0.010 0.000 2.387 297 D HA 0.124 4.764 4.640 -0.000 0.000 0.251 297 D C -1.931 174.363 176.300 -0.010 0.000 1.141 297 D CA -1.663 52.331 54.000 -0.010 0.000 0.987 297 D CB 1.390 42.185 40.800 -0.008 0.000 1.116 297 D HN 0.238 nan 8.370 nan 0.000 0.491 298 P HA -0.162 nan 4.420 nan 0.000 0.217 298 P C 1.117 178.411 177.300 -0.010 0.000 1.148 298 P CA 0.959 64.052 63.100 -0.011 0.000 0.828 298 P CB 0.176 31.869 31.700 -0.011 0.000 0.783 299 R N -1.099 119.396 120.500 -0.008 0.000 2.323 299 R HA 0.093 4.433 4.340 -0.000 0.000 0.198 299 R C 1.469 177.769 176.300 -0.002 0.000 0.988 299 R CA 0.878 56.975 56.100 -0.005 0.000 1.041 299 R CB -0.708 29.589 30.300 -0.004 0.000 0.926 299 R HN 0.307 nan 8.270 nan 0.000 0.476 300 G N 1.406 110.203 108.800 -0.005 0.000 2.176 300 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.253 300 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.253 300 G C 0.029 174.927 174.900 -0.004 0.000 0.979 300 G CA 0.085 45.181 45.100 -0.006 0.000 0.641 300 G HN 0.315 nan 8.290 nan 0.000 0.530 301 R N -0.306 120.194 120.500 0.000 0.000 2.531 301 R HA 0.618 4.958 4.340 -0.000 0.000 0.273 301 R C 0.633 176.937 176.300 0.006 0.000 1.070 301 R CA -0.681 55.422 56.100 0.006 0.000 1.112 301 R CB 1.005 31.309 30.300 0.006 0.000 1.049 301 R HN 0.250 nan 8.270 nan 0.000 0.508 302 I N 4.434 125.013 120.570 0.015 0.000 2.436 302 I HA 0.079 4.249 4.170 -0.000 0.000 0.289 302 I C -1.778 174.353 176.117 0.023 0.000 1.083 302 I CA -1.796 59.514 61.300 0.017 0.000 1.372 302 I CB 0.707 38.724 38.000 0.029 0.000 1.408 302 I HN 0.270 nan 8.210 nan 0.000 0.516 303 P HA 0.164 nan 4.420 nan 0.000 0.282 303 P C -0.690 176.615 177.300 0.008 0.000 1.274 303 P CA -0.090 63.015 63.100 0.007 0.000 0.770 303 P CB 0.976 32.673 31.700 -0.005 0.000 0.867 304 V N 1.643 121.570 119.914 0.020 0.000 3.046 304 V HA 0.570 4.690 4.120 -0.000 0.000 0.316 304 V C 0.480 176.551 176.094 -0.038 0.000 1.104 304 V CA -1.049 61.261 62.300 0.016 0.000 1.006 304 V CB 1.718 33.613 31.823 0.119 0.000 1.058 304 V HN 0.616 nan 8.190 nan 0.000 0.440 305 N N 0.545 119.199 118.700 -0.077 0.000 2.577 305 N HA 0.203 4.943 4.740 -0.000 0.000 0.296 305 N C 0.577 175.960 175.510 -0.212 0.000 1.357 305 N CA 0.010 52.994 53.050 -0.109 0.000 0.896 305 N CB 0.412 38.846 38.487 -0.087 0.000 1.102 305 N HN 0.604 nan 8.380 nan 0.000 0.506 306 T N -0.514 113.929 114.554 -0.186 0.000 3.067 306 T HA 0.109 4.459 4.350 -0.000 0.000 0.261 306 T C 1.183 175.701 174.700 -0.302 0.000 1.110 306 T CA 0.467 62.424 62.100 -0.237 0.000 1.113 306 T CB -0.067 68.738 68.868 -0.104 0.000 0.917 306 T HN 0.356 nan 8.240 nan 0.000 0.499 307 R N 0.140 120.532 120.500 -0.179 0.000 2.432 307 R HA 0.294 4.634 4.340 -0.000 0.000 0.260 307 R C -0.199 176.225 176.300 0.206 0.000 0.935 307 R CA -0.207 55.893 56.100 -0.000 0.000 1.080 307 R CB -0.118 30.256 30.300 0.122 0.000 1.155 307 R HN 0.293 nan 8.270 nan 0.000 0.531 308 F N 0.364 120.400 119.950 0.143 0.000 2.795 308 F HA -0.256 4.271 4.527 -0.000 0.000 0.297 308 F C -0.078 175.773 175.800 0.085 0.000 0.699 308 F CA 0.477 58.573 58.000 0.159 0.000 1.384 308 F CB -2.102 37.018 39.000 0.201 0.000 1.672 308 F HN 0.121 nan 8.300 nan 0.000 0.345 309 Q N 0.524 120.300 119.800 -0.040 0.000 2.288 309 Q HA 0.493 4.833 4.340 -0.000 0.000 0.254 309 Q C 1.006 176.908 176.000 -0.163 0.000 0.932 309 Q CA 0.158 55.752 55.803 -0.349 0.000 0.902 309 Q CB 1.299 29.729 28.738 -0.513 0.000 1.203 309 Q HN 0.367 nan 8.270 nan 0.000 0.415 310 T N -0.985 113.480 114.554 -0.148 0.000 2.715 310 T HA 0.103 4.453 4.350 -0.000 0.000 0.320 310 T C 1.121 175.765 174.700 -0.093 0.000 1.046 310 T CA -0.649 61.402 62.100 -0.082 0.000 0.983 310 T CB 0.461 69.297 68.868 -0.053 0.000 1.183 310 T HN 0.378 nan 8.240 nan 0.000 0.522 311 K N -0.141 120.223 120.400 -0.061 0.000 2.211 311 K HA 0.094 4.414 4.320 -0.000 0.000 0.204 311 K C 0.730 177.292 176.600 -0.063 0.000 1.047 311 K CA 0.791 57.045 56.287 -0.054 0.000 0.935 311 K CB -0.505 31.973 32.500 -0.036 0.000 0.728 311 K HN 0.609 nan 8.250 nan 0.000 0.452 312 I N 2.413 122.940 120.570 -0.071 0.000 2.306 312 I HA 0.075 4.245 4.170 -0.000 0.000 0.288 312 I C -1.687 174.354 176.117 -0.127 0.000 1.036 312 I CA -1.992 59.264 61.300 -0.073 0.000 1.221 312 I CB 1.326 39.297 38.000 -0.048 0.000 1.385 312 I HN -0.220 nan 8.210 nan 0.000 0.472 313 P HA -0.208 nan 4.420 nan 0.000 0.218 313 P C 0.918 178.065 177.300 -0.255 0.000 1.152 313 P CA 1.470 64.462 63.100 -0.180 0.000 0.857 313 P CB -0.010 31.636 31.700 -0.089 0.000 0.787 314 N N -1.071 117.558 118.700 -0.118 0.000 2.322 314 N HA 0.009 4.749 4.740 -0.000 0.000 0.194 314 N C 0.062 175.611 175.510 0.065 0.000 1.126 314 N CA 0.209 53.265 53.050 0.010 0.000 0.845 314 N CB -0.053 38.470 38.487 0.060 0.000 0.976 314 N HN 0.203 nan 8.380 nan 0.000 0.475 315 I N 1.754 122.266 120.570 -0.098 0.000 2.359 315 I HA 0.254 4.424 4.170 -0.000 0.000 0.284 315 I C -0.936 175.146 176.117 -0.060 0.000 1.018 315 I CA -0.812 60.491 61.300 0.005 0.000 1.173 315 I CB 0.408 38.400 38.000 -0.013 0.000 1.326 315 I HN -0.152 nan 8.210 nan 0.000 0.462 316 Y N 4.535 124.846 120.300 0.018 0.000 2.387 316 Y HA 0.723 5.273 4.550 -0.000 0.000 0.336 316 Y C 0.343 176.269 175.900 0.045 0.000 1.067 316 Y CA -1.095 57.035 58.100 0.051 0.000 1.114 316 Y CB 1.805 40.299 38.460 0.056 0.000 1.208 316 Y HN 0.527 nan 8.280 nan 0.000 0.458 317 A N 4.657 127.612 122.820 0.225 0.000 2.343 317 A HA 0.850 5.170 4.320 -0.000 0.000 0.316 317 A C -0.958 176.703 177.584 0.127 0.000 1.104 317 A CA -0.612 51.508 52.037 0.138 0.000 0.768 317 A CB 0.837 19.901 19.000 0.106 0.000 1.213 317 A HN 0.691 nan 8.150 nan 0.000 0.456 318 I N -0.253 120.317 120.570 -0.001 0.000 3.264 318 I HA 0.940 5.110 4.170 -0.000 0.000 0.315 318 I C 0.282 176.346 176.117 -0.089 0.000 1.154 318 I CA 0.310 61.525 61.300 -0.142 0.000 0.962 318 I CB 1.358 39.114 38.000 -0.407 0.000 1.265 318 I HN 1.939 nan 8.210 nan 0.000 0.463 319 G N 3.738 112.472 108.800 -0.111 0.000 2.545 319 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 319 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 319 G C -0.464 174.421 174.900 -0.026 0.000 1.314 319 G CA 0.291 45.351 45.100 -0.067 0.000 0.906 319 G HN 1.241 nan 8.290 nan 0.000 0.563 320 D N -0.353 120.039 120.400 -0.013 0.000 2.519 320 D HA 0.307 4.947 4.640 -0.000 0.000 0.238 320 D C 1.258 177.572 176.300 0.023 0.000 1.192 320 D CA 0.510 54.510 54.000 -0.000 0.000 0.835 320 D CB 0.913 41.711 40.800 -0.005 0.000 0.975 320 D HN 0.705 nan 8.370 nan 0.000 0.490 321 V N 0.147 120.078 119.914 0.029 0.000 3.621 321 V HA 0.149 4.269 4.120 -0.000 0.000 0.285 321 V C 0.339 176.454 176.094 0.034 0.000 1.346 321 V CA 0.337 62.660 62.300 0.039 0.000 1.104 321 V CB 0.174 32.025 31.823 0.047 0.000 0.913 321 V HN 0.337 nan 8.190 nan 0.000 0.432 322 V N -2.246 117.688 119.914 0.032 0.000 3.167 322 V HA 0.943 5.063 4.120 -0.000 0.000 0.310 322 V C 0.108 176.208 176.094 0.010 0.000 1.207 322 V CA -0.732 61.594 62.300 0.042 0.000 1.059 322 V CB 1.288 33.171 31.823 0.100 0.000 1.079 322 V HN 0.195 nan 8.190 nan 0.000 0.446 323 A N 0.368 123.184 122.820 -0.008 0.000 2.507 323 A HA 0.708 5.028 4.320 -0.000 0.000 0.235 323 A C 0.936 178.409 177.584 -0.186 0.000 1.070 323 A CA 0.822 52.812 52.037 -0.077 0.000 0.768 323 A CB -0.658 18.293 19.000 -0.082 0.000 1.011 323 A HN 3.049 nan 8.150 nan 0.000 0.502 324 G N 0.514 109.173 108.800 -0.235 0.000 2.555 324 G HA2 0.184 4.144 3.960 -0.000 0.000 0.686 324 G HA3 0.184 4.144 3.960 -0.000 0.000 0.686 324 G C -3.133 171.660 174.900 -0.178 0.000 1.275 324 G CA -0.565 44.309 45.100 -0.375 0.000 0.871 324 G HN 0.811 nan 8.290 nan 0.000 0.603 325 P HA 0.204 nan 4.420 nan 0.000 0.263 325 P C 0.483 177.739 177.300 -0.073 0.000 1.175 325 P CA 0.411 63.469 63.100 -0.069 0.000 0.761 325 P CB 0.241 31.905 31.700 -0.060 0.000 0.794 326 M N 3.933 123.504 119.600 -0.048 0.000 2.974 326 M HA 0.218 4.698 4.480 -0.000 0.000 0.301 326 M C -0.269 175.990 176.300 -0.068 0.000 1.409 326 M CA 0.440 55.714 55.300 -0.044 0.000 1.515 326 M CB -0.639 31.954 32.600 -0.011 0.000 1.163 326 M HN 0.230 nan 8.290 nan 0.000 0.520 327 L N -0.057 121.087 121.223 -0.132 0.000 2.371 327 L HA 0.614 4.954 4.340 -0.000 0.000 0.262 327 L C 0.993 177.734 176.870 -0.215 0.000 1.006 327 L CA -0.456 54.253 54.840 -0.219 0.000 0.818 327 L CB 2.041 43.819 42.059 -0.468 0.000 1.354 327 L HN 0.571 nan 8.230 nan 0.000 0.415 328 A N 0.048 122.781 122.820 -0.145 0.000 1.897 328 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 328 A C 1.902 179.459 177.584 -0.045 0.000 1.181 328 A CA 1.802 53.804 52.037 -0.059 0.000 0.620 328 A CB -0.954 18.058 19.000 0.020 0.000 0.821 328 A HN 1.009 nan 8.150 nan 0.000 0.443 329 H N -1.296 117.755 119.070 -0.031 0.000 2.421 329 H HA 0.014 4.570 4.556 -0.000 0.000 0.298 329 H C 1.870 177.173 175.328 -0.041 0.000 1.087 329 H CA 1.228 57.251 56.048 -0.043 0.000 1.330 329 H CB -0.047 29.689 29.762 -0.043 0.000 1.388 329 H HN 0.331 nan 8.280 nan 0.000 0.526 330 K N 1.754 122.021 120.400 -0.222 0.000 2.097 330 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 330 K C 2.333 178.895 176.600 -0.063 0.000 1.050 330 K CA 1.113 57.350 56.287 -0.082 0.000 0.938 330 K CB -0.373 32.088 32.500 -0.064 0.000 0.718 330 K HN 0.404 nan 8.250 nan 0.000 0.442 331 A N 1.447 124.210 122.820 -0.095 0.000 1.877 331 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 331 A C 2.038 179.542 177.584 -0.134 0.000 1.186 331 A CA 1.733 53.706 52.037 -0.107 0.000 0.620 331 A CB -0.498 18.444 19.000 -0.097 0.000 0.822 331 A HN 0.503 nan 8.150 nan 0.000 0.443 332 E N -0.348 119.782 120.200 -0.117 0.000 2.051 332 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 332 E C 1.621 178.143 176.600 -0.129 0.000 0.991 332 E CA 1.340 57.655 56.400 -0.142 0.000 0.799 332 E CB -0.191 29.442 29.700 -0.112 0.000 0.748 332 E HN 0.565 nan 8.360 nan 0.000 0.449 333 D N 0.497 120.840 120.400 -0.095 0.000 2.097 333 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 333 D C 1.667 177.883 176.300 -0.140 0.000 0.989 333 D CA 1.052 54.996 54.000 -0.094 0.000 0.827 333 D CB -0.125 40.632 40.800 -0.073 0.000 0.966 333 D HN 0.201 nan 8.370 nan 0.000 0.456 334 E N 0.038 120.115 120.200 -0.204 0.000 2.153 334 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 334 E C 2.156 178.492 176.600 -0.439 0.000 0.988 334 E CA 0.978 57.108 56.400 -0.450 0.000 0.811 334 E CB -0.213 29.099 29.700 -0.648 0.000 0.746 334 E HN 0.304 nan 8.360 nan 0.000 0.466 335 G N 1.870 110.496 108.800 -0.290 0.000 2.480 335 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 335 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 335 G C 1.503 176.301 174.900 -0.171 0.000 1.200 335 G CA 0.710 45.673 45.100 -0.228 0.000 0.782 335 G HN 0.058 nan 8.290 nan 0.000 0.554 336 I N 2.197 122.688 120.570 -0.132 0.000 2.087 336 I HA -0.210 3.960 4.170 -0.000 0.000 0.240 336 I C 2.816 178.899 176.117 -0.055 0.000 1.054 336 I CA 1.561 62.813 61.300 -0.079 0.000 1.311 336 I CB -1.138 36.827 38.000 -0.058 0.000 1.024 336 I HN 0.435 nan 8.210 nan 0.000 0.402 337 I N -1.901 118.642 120.570 -0.046 0.000 3.578 337 I HA -0.092 4.078 4.170 -0.000 0.000 0.295 337 I C 2.688 178.848 176.117 0.073 0.000 1.280 337 I CA 0.523 61.841 61.300 0.030 0.000 1.347 337 I CB -0.398 37.647 38.000 0.075 0.000 1.051 337 I HN 0.206 nan 8.210 nan 0.000 0.460 338 C N 1.494 120.787 119.300 -0.012 0.000 2.489 338 C HA -0.103 4.357 4.460 -0.000 0.000 0.279 338 C C 2.993 177.922 174.990 -0.101 0.000 1.266 338 C CA 1.448 60.479 59.018 0.022 0.000 1.707 338 C CB -0.923 26.729 27.740 -0.148 0.000 2.059 338 C HN 0.618 nan 8.230 nan 0.000 0.481 339 V N 0.667 120.489 119.914 -0.153 0.000 2.295 339 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 339 V C 2.218 178.298 176.094 -0.023 0.000 1.049 339 V CA 2.605 64.803 62.300 -0.170 0.000 1.024 339 V CB -1.282 30.459 31.823 -0.136 0.000 0.648 339 V HN 0.666 nan 8.190 nan 0.000 0.447 340 E N 1.119 121.333 120.200 0.023 0.000 2.130 340 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 340 E C 2.269 178.915 176.600 0.076 0.000 0.998 340 E CA 1.507 57.947 56.400 0.067 0.000 0.806 340 E CB -0.655 29.075 29.700 0.050 0.000 0.738 340 E HN 0.768 nan 8.360 nan 0.000 0.459 341 G N 0.920 109.759 108.800 0.064 0.000 2.402 341 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 341 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 341 G C 1.543 176.491 174.900 0.080 0.000 1.162 341 G CA 0.509 45.662 45.100 0.088 0.000 0.777 341 G HN 0.091 nan 8.290 nan 0.000 0.539 342 M N 0.879 120.467 119.600 -0.020 0.000 2.202 342 M HA -0.003 4.477 4.480 -0.000 0.000 0.262 342 M C 2.296 178.702 176.300 0.178 0.000 1.063 342 M CA 1.172 56.445 55.300 -0.047 0.000 1.097 342 M CB -0.040 32.323 32.600 -0.395 0.000 1.382 342 M HN 0.266 nan 8.290 nan 0.000 0.413 343 A N -0.050 122.928 122.820 0.263 0.000 2.579 343 A HA 0.501 4.821 4.320 -0.000 0.000 0.273 343 A C 1.416 179.087 177.584 0.144 0.000 1.363 343 A CA 0.495 52.727 52.037 0.324 0.000 0.953 343 A CB -0.997 18.184 19.000 0.302 0.000 1.034 343 A HN 0.678 nan 8.150 nan 0.000 0.536 344 G N -1.153 107.720 108.800 0.122 0.000 2.358 344 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.224 344 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.224 344 G C 1.070 176.010 174.900 0.066 0.000 1.073 344 G CA 0.212 45.361 45.100 0.081 0.000 0.635 344 G HN 1.441 nan 8.290 nan 0.000 0.509 345 G N 0.623 109.462 108.800 0.065 0.000 2.468 345 G HA2 0.631 4.591 3.960 -0.000 0.000 0.264 345 G HA3 0.631 4.591 3.960 -0.000 0.000 0.264 345 G C 0.538 175.472 174.900 0.057 0.000 1.460 345 G CA 0.727 45.859 45.100 0.053 0.000 1.060 345 G HN 1.662 nan 8.290 nan 0.000 0.543 346 A N -1.701 121.150 122.820 0.051 0.000 2.306 346 A HA 0.583 4.903 4.320 -0.000 0.000 0.314 346 A C -0.579 177.050 177.584 0.076 0.000 1.164 346 A CA -0.415 51.655 52.037 0.055 0.000 0.822 346 A CB 1.511 20.536 19.000 0.042 0.000 1.130 346 A HN 0.931 nan 8.150 nan 0.000 0.496 347 V N 3.677 123.644 119.914 0.088 0.000 2.315 347 V HA 0.279 4.399 4.120 -0.000 0.000 0.265 347 V C -0.632 175.532 176.094 0.116 0.000 1.019 347 V CA -0.200 62.165 62.300 0.108 0.000 0.824 347 V CB -0.098 31.787 31.823 0.104 0.000 1.072 347 V HN 0.996 nan 8.190 nan 0.000 0.448 348 H N 2.980 122.051 119.070 0.001 0.000 2.600 348 H HA 0.804 5.360 4.556 -0.000 0.000 0.357 348 H C -1.493 173.802 175.328 -0.055 0.000 1.106 348 H CA -0.675 55.353 56.048 -0.033 0.000 1.193 348 H CB 1.930 31.671 29.762 -0.036 0.000 1.594 348 H HN 0.522 nan 8.280 nan 0.000 0.526 349 I N 3.965 124.122 120.570 -0.687 0.000 2.656 349 I HA 0.220 4.390 4.170 -0.000 0.000 0.292 349 I C -1.491 174.108 176.117 -0.864 0.000 1.144 349 I CA -0.755 60.140 61.300 -0.675 0.000 1.038 349 I CB 1.839 39.541 38.000 -0.497 0.000 1.244 349 I HN 0.703 nan 8.210 nan 0.000 0.420 350 D N 6.263 126.288 120.400 -0.624 0.000 2.454 350 D HA 0.208 4.848 4.640 -0.000 0.000 0.225 350 D C 0.114 176.274 176.300 -0.232 0.000 1.081 350 D CA -0.121 53.666 54.000 -0.356 0.000 0.864 350 D CB 0.559 41.272 40.800 -0.146 0.000 1.040 350 D HN 0.365 nan 8.370 nan 0.000 0.517 351 Y N 2.062 122.331 120.300 -0.052 0.000 2.680 351 Y HA -0.057 4.493 4.550 -0.000 0.000 0.303 351 Y C 1.896 177.796 175.900 0.001 0.000 1.166 351 Y CA 0.376 58.465 58.100 -0.018 0.000 1.344 351 Y CB -0.374 38.084 38.460 -0.003 0.000 1.002 351 Y HN 0.357 nan 8.280 nan 0.000 0.537 352 N N -1.070 117.698 118.700 0.113 0.000 2.461 352 N HA -0.029 4.711 4.740 -0.000 0.000 0.188 352 N C 0.143 175.686 175.510 0.055 0.000 1.134 352 N CA 0.457 53.562 53.050 0.091 0.000 0.878 352 N CB -0.135 38.399 38.487 0.079 0.000 0.972 352 N HN 0.167 nan 8.380 nan 0.000 0.456 353 C N -0.502 118.815 119.300 0.029 0.000 3.386 353 C HA 0.375 4.835 4.460 -0.000 0.000 0.279 353 C C 0.312 175.298 174.990 -0.006 0.000 1.508 353 C CA -0.841 58.177 59.018 0.001 0.000 1.801 353 C CB -0.851 26.876 27.740 -0.021 0.000 2.798 353 C HN 0.195 nan 8.230 nan 0.000 0.605 354 V N 3.350 123.281 119.914 0.027 0.000 2.432 354 V HA 0.502 4.622 4.120 -0.000 0.000 0.275 354 V C -2.568 173.536 176.094 0.016 0.000 1.043 354 V CA -1.580 60.759 62.300 0.066 0.000 0.925 354 V CB 1.356 33.248 31.823 0.114 0.000 0.985 354 V HN 0.140 nan 8.190 nan 0.000 0.466 355 P HA 0.363 nan 4.420 nan 0.000 0.274 355 P C -0.840 176.306 177.300 -0.257 0.000 1.256 355 P CA -0.145 62.835 63.100 -0.201 0.000 0.795 355 P CB 0.657 32.197 31.700 -0.267 0.000 1.038 356 S N -0.581 114.697 115.700 -0.702 0.000 2.568 356 S HA 0.679 5.149 4.470 -0.000 0.000 0.293 356 S C -1.126 172.991 174.600 -0.804 0.000 1.089 356 S CA -0.523 57.169 58.200 -0.847 0.000 0.945 356 S CB 1.158 63.390 63.200 -1.615 0.000 1.077 356 S HN 0.157 nan 8.310 nan 0.000 0.485 357 V N 3.141 122.740 119.914 -0.525 0.000 2.752 357 V HA 0.442 4.562 4.120 -0.000 0.000 0.302 357 V C -1.244 174.575 176.094 -0.457 0.000 1.133 357 V CA -0.451 61.531 62.300 -0.530 0.000 0.919 357 V CB 1.821 33.253 31.823 -0.651 0.000 1.026 357 V HN 0.805 nan 8.190 nan 0.000 0.429 358 I N 5.163 125.511 120.570 -0.371 0.000 2.307 358 I HA 0.322 4.492 4.170 -0.000 0.000 0.289 358 I C -0.350 175.625 176.117 -0.235 0.000 1.021 358 I CA -0.322 60.860 61.300 -0.196 0.000 1.224 358 I CB 1.069 39.019 38.000 -0.083 0.000 1.376 358 I HN 0.622 nan 8.210 nan 0.000 0.470 359 Y N 4.344 124.657 120.300 0.021 0.000 2.627 359 Y HA 0.038 4.588 4.550 -0.000 0.000 0.339 359 Y C 1.743 177.666 175.900 0.039 0.000 1.137 359 Y CA -0.581 57.525 58.100 0.009 0.000 1.361 359 Y CB -0.878 37.575 38.460 -0.011 0.000 1.180 359 Y HN 0.557 nan 8.280 nan 0.000 0.512 360 T N -2.747 111.915 114.554 0.180 0.000 2.773 360 T HA 0.055 4.405 4.350 -0.000 0.000 0.337 360 T C -0.259 174.554 174.700 0.188 0.000 1.086 360 T CA -0.399 61.828 62.100 0.211 0.000 0.998 360 T CB 0.898 69.971 68.868 0.342 0.000 1.281 360 T HN 0.428 nan 8.240 nan 0.000 0.525 361 H N 1.193 120.300 119.070 0.063 0.000 3.240 361 H HA 0.341 4.897 4.556 -0.000 0.000 0.326 361 H C -2.869 172.508 175.328 0.082 0.000 1.015 361 H CA -1.707 54.333 56.048 -0.013 0.000 1.504 361 H CB 1.838 31.467 29.762 -0.222 0.000 1.754 361 H HN 0.536 nan 8.280 nan 0.000 0.505 362 P HA 0.117 nan 4.420 nan 0.000 0.274 362 P C -0.094 177.173 177.300 -0.055 0.000 1.237 362 P CA -0.260 62.669 63.100 -0.285 0.000 0.793 362 P CB 1.864 33.490 31.700 -0.123 0.000 0.977 363 E N -0.162 119.974 120.200 -0.107 0.000 2.374 363 E HA 0.355 4.705 4.350 -0.000 0.000 0.260 363 E C -0.675 175.801 176.600 -0.206 0.000 1.101 363 E CA -0.663 55.662 56.400 -0.126 0.000 0.907 363 E CB 0.823 30.456 29.700 -0.112 0.000 1.014 363 E HN 0.171 nan 8.360 nan 0.000 0.427 364 V N 0.956 120.701 119.914 -0.282 0.000 2.686 364 V HA 0.747 4.867 4.120 -0.000 0.000 0.306 364 V C -0.805 175.235 176.094 -0.091 0.000 1.065 364 V CA -0.756 61.403 62.300 -0.235 0.000 0.894 364 V CB 1.604 33.126 31.823 -0.501 0.000 1.004 364 V HN 0.748 nan 8.190 nan 0.000 0.424 365 A N 3.995 126.853 122.820 0.062 0.000 2.520 365 A HA 0.998 5.318 4.320 -0.000 0.000 0.298 365 A C -1.578 176.123 177.584 0.196 0.000 1.051 365 A CA -0.620 51.399 52.037 -0.029 0.000 0.690 365 A CB 1.648 20.547 19.000 -0.168 0.000 1.281 365 A HN 1.519 nan 8.150 nan 0.000 0.402 366 W N 0.108 121.327 121.300 -0.135 0.000 3.042 366 W HA 0.815 5.475 4.660 -0.000 0.000 0.342 366 W C -1.839 174.561 176.519 -0.198 0.000 1.240 366 W CA -1.215 56.004 57.345 -0.210 0.000 1.166 366 W CB 1.255 30.612 29.460 -0.172 0.000 1.469 366 W HN 0.873 nan 8.180 nan 0.000 0.579 367 V N 1.857 121.697 119.914 -0.123 0.000 3.077 367 V HA 0.758 4.878 4.120 -0.000 0.000 0.299 367 V C 0.369 176.446 176.094 -0.027 0.000 1.276 367 V CA 0.459 62.696 62.300 -0.106 0.000 0.993 367 V CB 1.383 33.127 31.823 -0.132 0.000 1.076 367 V HN 2.033 nan 8.190 nan 0.000 0.434 368 G N 5.273 114.098 108.800 0.042 0.000 2.542 368 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.235 368 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.235 368 G C -0.570 174.413 174.900 0.137 0.000 1.286 368 G CA 0.257 45.400 45.100 0.071 0.000 0.904 368 G HN 0.932 nan 8.290 nan 0.000 0.577 369 K N 0.201 120.678 120.400 0.129 0.000 2.185 369 K HA 0.696 5.016 4.320 -0.000 0.000 0.240 369 K C 0.427 177.135 176.600 0.180 0.000 0.983 369 K CA -0.068 56.298 56.287 0.131 0.000 0.873 369 K CB 1.892 34.424 32.500 0.053 0.000 1.118 369 K HN 0.981 nan 8.250 nan 0.000 0.441 370 S N -0.465 115.265 115.700 0.050 0.000 2.713 370 S HA 0.174 4.644 4.470 -0.000 0.000 0.283 370 S C 0.893 175.350 174.600 -0.239 0.000 1.161 370 S CA -0.717 57.397 58.200 -0.144 0.000 0.999 370 S CB 1.426 64.487 63.200 -0.230 0.000 1.039 370 S HN 0.641 nan 8.310 nan 0.000 0.548 371 E N 0.962 120.964 120.200 -0.330 0.000 2.085 371 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 371 E C 1.828 178.322 176.600 -0.176 0.000 0.994 371 E CA 1.583 57.784 56.400 -0.332 0.000 0.801 371 E CB -0.078 29.509 29.700 -0.188 0.000 0.743 371 E HN 0.810 nan 8.360 nan 0.000 0.453 372 E N 0.639 120.755 120.200 -0.140 0.000 2.299 372 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 372 E C 1.804 178.371 176.600 -0.054 0.000 0.998 372 E CA 0.469 56.823 56.400 -0.077 0.000 0.851 372 E CB -0.270 29.375 29.700 -0.092 0.000 0.795 372 E HN 0.400 nan 8.360 nan 0.000 0.492 373 Q N 0.369 120.129 119.800 -0.067 0.000 2.079 373 Q HA -0.065 4.275 4.340 -0.000 0.000 0.200 373 Q C 2.116 178.106 176.000 -0.016 0.000 0.974 373 Q CA 0.771 56.558 55.803 -0.026 0.000 0.840 373 Q CB -0.110 28.625 28.738 -0.005 0.000 0.898 373 Q HN 0.138 nan 8.270 nan 0.000 0.430 374 L N 1.413 122.603 121.223 -0.055 0.000 2.012 374 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 374 L C 2.168 179.082 176.870 0.072 0.000 1.073 374 L CA 1.821 56.649 54.840 -0.019 0.000 0.748 374 L CB -0.849 41.105 42.059 -0.175 0.000 0.891 374 L HN 0.109 nan 8.230 nan 0.000 0.431 375 K N -0.197 120.258 120.400 0.092 0.000 2.097 375 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 375 K C 1.707 178.346 176.600 0.065 0.000 1.049 375 K CA 1.519 57.880 56.287 0.123 0.000 0.933 375 K CB -0.070 32.502 32.500 0.119 0.000 0.717 375 K HN 0.538 nan 8.250 nan 0.000 0.442 376 E N 0.045 120.267 120.200 0.038 0.000 2.502 376 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 376 E C 0.838 177.457 176.600 0.031 0.000 1.062 376 E CA 0.610 57.027 56.400 0.028 0.000 0.867 376 E CB 0.293 30.003 29.700 0.017 0.000 0.888 376 E HN 0.298 nan 8.360 nan 0.000 0.510 377 E N -0.063 120.161 120.200 0.040 0.000 2.489 377 E HA 0.132 4.482 4.350 -0.000 0.000 0.204 377 E C 0.673 177.301 176.600 0.046 0.000 1.006 377 E CA 0.270 56.694 56.400 0.040 0.000 0.936 377 E CB 0.730 30.455 29.700 0.041 0.000 1.002 377 E HN 0.450 nan 8.360 nan 0.000 0.488 378 G N 1.792 110.625 108.800 0.055 0.000 2.147 378 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.244 378 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.244 378 G C 0.083 175.020 174.900 0.062 0.000 1.005 378 G CA 0.040 45.170 45.100 0.050 0.000 0.713 378 G HN 0.205 nan 8.290 nan 0.000 0.515 379 I N 0.593 121.217 120.570 0.090 0.000 2.336 379 I HA 0.298 4.468 4.170 -0.000 0.000 0.292 379 I C 0.179 176.401 176.117 0.174 0.000 0.991 379 I CA -0.854 60.513 61.300 0.112 0.000 1.227 379 I CB 1.368 39.432 38.000 0.106 0.000 1.366 379 I HN -0.069 nan 8.210 nan 0.000 0.466 380 E N 6.668 126.938 120.200 0.116 0.000 2.259 380 E HA 0.224 4.574 4.350 -0.000 0.000 0.281 380 E C -1.177 175.506 176.600 0.138 0.000 1.037 380 E CA 0.043 56.480 56.400 0.062 0.000 0.854 380 E CB 1.063 30.771 29.700 0.013 0.000 1.051 380 E HN 0.419 nan 8.360 nan 0.000 0.409 381 Y N 0.526 120.835 120.300 0.015 0.000 2.665 381 Y HA 0.658 5.208 4.550 -0.000 0.000 0.336 381 Y C -0.465 175.445 175.900 0.017 0.000 1.085 381 Y CA -1.358 56.754 58.100 0.020 0.000 1.096 381 Y CB 0.998 39.473 38.460 0.026 0.000 1.301 381 Y HN 0.244 nan 8.280 nan 0.000 0.493 382 K N 0.631 121.168 120.400 0.229 0.000 2.444 382 K HA 0.803 5.123 4.320 -0.000 0.000 0.252 382 K C -1.821 174.915 176.600 0.227 0.000 0.993 382 K CA -1.089 55.271 56.287 0.122 0.000 0.847 382 K CB 2.747 35.284 32.500 0.062 0.000 1.340 382 K HN 0.855 nan 8.250 nan 0.000 0.446 383 V N -0.949 119.059 119.914 0.156 0.000 2.823 383 V HA 0.890 5.010 4.120 -0.000 0.000 0.312 383 V C -0.871 175.283 176.094 0.101 0.000 1.072 383 V CA -0.149 62.244 62.300 0.154 0.000 0.937 383 V CB 1.698 33.627 31.823 0.175 0.000 1.013 383 V HN 0.993 nan 8.190 nan 0.000 0.430 384 G N 4.043 112.896 108.800 0.087 0.000 2.687 384 G HA2 0.718 4.678 3.960 -0.000 0.000 0.301 384 G HA3 0.718 4.678 3.960 -0.000 0.000 0.301 384 G C -1.454 173.480 174.900 0.056 0.000 1.416 384 G CA -0.846 44.296 45.100 0.070 0.000 1.005 384 G HN 0.852 nan 8.290 nan 0.000 0.509 385 K N 0.627 121.058 120.400 0.051 0.000 2.469 385 K HA 0.690 5.010 4.320 -0.000 0.000 0.254 385 K C -1.923 174.672 176.600 -0.008 0.000 0.939 385 K CA -0.784 55.505 56.287 0.004 0.000 0.812 385 K CB 3.033 35.508 32.500 -0.041 0.000 1.301 385 K HN 0.380 nan 8.250 nan 0.000 0.433 386 F N 2.632 122.408 119.950 -0.290 0.000 2.607 386 F HA 0.377 4.904 4.527 -0.000 0.000 0.322 386 F C -2.724 172.760 175.800 -0.526 0.000 1.176 386 F CA -1.955 55.791 58.000 -0.424 0.000 0.977 386 F CB 1.850 40.661 39.000 -0.315 0.000 1.242 386 F HN 0.297 nan 8.300 nan 0.000 0.465 387 P HA 0.228 nan 4.420 nan 0.000 0.279 387 P C 0.250 177.372 177.300 -0.297 0.000 1.239 387 P CA -0.075 62.687 63.100 -0.562 0.000 0.789 387 P CB 0.599 31.901 31.700 -0.663 0.000 0.933 388 F N 1.603 121.549 119.950 -0.006 0.000 2.502 388 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 388 F C 2.384 178.218 175.800 0.056 0.000 1.111 388 F CA 1.242 59.297 58.000 0.093 0.000 1.445 388 F CB -1.196 37.843 39.000 0.065 0.000 1.081 388 F HN 0.332 nan 8.300 nan 0.000 0.558 389 A N 0.157 123.048 122.820 0.118 0.000 1.917 389 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 389 A C 2.274 179.894 177.584 0.060 0.000 1.182 389 A CA 1.836 53.912 52.037 0.064 0.000 0.633 389 A CB -1.120 17.882 19.000 0.003 0.000 0.819 389 A HN 0.257 nan 8.150 nan 0.000 0.448 390 A N -0.883 121.907 122.820 -0.050 0.000 2.302 390 A HA 0.152 4.472 4.320 -0.000 0.000 0.219 390 A C 0.748 178.571 177.584 0.399 0.000 1.243 390 A CA -0.147 51.917 52.037 0.044 0.000 0.856 390 A CB -0.461 18.349 19.000 -0.316 0.000 0.893 390 A HN 0.554 nan 8.150 nan 0.000 0.491 391 N N -0.173 118.782 118.700 0.425 0.000 2.438 391 N HA 0.171 4.911 4.740 -0.000 0.000 0.282 391 N C 0.580 176.218 175.510 0.214 0.000 1.037 391 N CA -0.070 53.209 53.050 0.382 0.000 0.942 391 N CB 1.249 39.994 38.487 0.431 0.000 1.136 391 N HN 0.094 nan 8.380 nan 0.000 0.481 392 S N 2.903 118.680 115.700 0.130 0.000 2.359 392 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 392 S C 1.719 176.350 174.600 0.052 0.000 1.035 392 S CA 1.069 59.317 58.200 0.080 0.000 1.018 392 S CB -0.067 63.142 63.200 0.015 0.000 0.876 392 S HN 0.619 nan 8.310 nan 0.000 0.448 393 R N 0.503 121.010 120.500 0.012 0.000 2.148 393 R HA 0.069 4.409 4.340 -0.000 0.000 0.223 393 R C 2.250 178.578 176.300 0.047 0.000 1.088 393 R CA 0.965 57.076 56.100 0.018 0.000 0.985 393 R CB -0.253 30.042 30.300 -0.009 0.000 0.880 393 R HN 0.390 nan 8.270 nan 0.000 0.451 394 A N 0.520 123.386 122.820 0.076 0.000 1.970 394 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 394 A C 1.942 179.578 177.584 0.087 0.000 1.170 394 A CA 1.033 53.111 52.037 0.067 0.000 0.645 394 A CB -0.118 18.943 19.000 0.101 0.000 0.816 394 A HN 0.074 nan 8.150 nan 0.000 0.447 395 K N -0.404 120.059 120.400 0.105 0.000 2.044 395 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 395 K C 2.144 178.791 176.600 0.079 0.000 1.049 395 K CA 1.937 58.282 56.287 0.097 0.000 0.945 395 K CB -0.993 31.571 32.500 0.107 0.000 0.724 395 K HN 0.348 nan 8.250 nan 0.000 0.440 396 T N -0.324 114.275 114.554 0.074 0.000 2.881 396 T HA -0.072 4.278 4.350 -0.000 0.000 0.270 396 T C 1.104 175.840 174.700 0.059 0.000 1.068 396 T CA 1.684 63.822 62.100 0.064 0.000 1.131 396 T CB -0.360 68.545 68.868 0.062 0.000 0.871 396 T HN 0.388 nan 8.240 nan 0.000 0.479 397 N N 0.421 119.158 118.700 0.062 0.000 2.383 397 N HA 0.402 5.142 4.740 -0.000 0.000 0.192 397 N C 0.803 176.360 175.510 0.079 0.000 1.141 397 N CA 0.282 53.371 53.050 0.065 0.000 0.851 397 N CB 0.013 38.538 38.487 0.063 0.000 0.976 397 N HN 0.452 nan 8.380 nan 0.000 0.465 398 A N 1.351 124.216 122.820 0.076 0.000 2.832 398 A HA -0.200 4.120 4.320 -0.000 0.000 0.280 398 A C -0.108 177.534 177.584 0.097 0.000 1.464 398 A CA 1.006 53.092 52.037 0.081 0.000 0.804 398 A CB -1.617 17.429 19.000 0.078 0.000 1.020 398 A HN 0.416 nan 8.150 nan 0.000 0.563 399 D N -0.054 120.401 120.400 0.091 0.000 2.400 399 D HA 0.450 5.090 4.640 -0.000 0.000 0.272 399 D C 0.905 177.236 176.300 0.052 0.000 1.220 399 D CA 0.552 54.606 54.000 0.091 0.000 0.897 399 D CB 0.210 41.075 40.800 0.108 0.000 1.134 399 D HN 0.397 nan 8.370 nan 0.000 0.507 400 T N -1.027 113.567 114.554 0.068 0.000 3.129 400 T HA 0.231 4.581 4.350 -0.000 0.000 0.267 400 T C 0.270 175.040 174.700 0.117 0.000 1.018 400 T CA -0.557 61.603 62.100 0.100 0.000 0.903 400 T CB 0.052 68.982 68.868 0.103 0.000 1.067 400 T HN 0.068 nan 8.240 nan 0.000 0.549 401 D N 1.883 122.319 120.400 0.060 0.000 2.425 401 D HA 0.492 5.132 4.640 -0.000 0.000 0.247 401 D C 1.132 177.524 176.300 0.153 0.000 1.147 401 D CA 1.467 55.506 54.000 0.065 0.000 0.879 401 D CB 0.348 41.145 40.800 -0.005 0.000 1.179 401 D HN 0.503 nan 8.370 nan 0.000 0.456 402 G N 1.122 110.024 108.800 0.171 0.000 2.548 402 G HA2 0.144 4.104 3.960 -0.000 0.000 0.208 402 G HA3 0.144 4.104 3.960 -0.000 0.000 0.208 402 G C -0.744 174.275 174.900 0.198 0.000 1.308 402 G CA -0.264 44.970 45.100 0.224 0.000 0.924 402 G HN 0.808 nan 8.290 nan 0.000 0.540 403 M N -2.904 116.753 119.600 0.095 0.000 2.643 403 M HA 0.750 5.230 4.480 -0.000 0.000 0.276 403 M C -1.050 175.119 176.300 -0.218 0.000 1.200 403 M CA -1.139 54.034 55.300 -0.212 0.000 0.863 403 M CB 1.835 34.349 32.600 -0.143 0.000 1.711 403 M HN 0.997 nan 8.290 nan 0.000 0.492 404 V N 1.652 121.395 119.914 -0.285 0.000 2.483 404 V HA 0.660 4.780 4.120 -0.000 0.000 0.295 404 V C -0.657 175.445 176.094 0.013 0.000 1.035 404 V CA -0.428 61.828 62.300 -0.073 0.000 0.896 404 V CB 1.767 33.566 31.823 -0.040 0.000 0.986 404 V HN 0.825 nan 8.190 nan 0.000 0.447 405 K N 5.113 125.570 120.400 0.095 0.000 2.535 405 K HA 0.592 4.912 4.320 -0.000 0.000 0.253 405 K C -1.203 175.500 176.600 0.173 0.000 0.953 405 K CA -0.621 55.724 56.287 0.098 0.000 0.863 405 K CB 1.527 34.063 32.500 0.061 0.000 1.111 405 K HN 0.684 nan 8.250 nan 0.000 0.431 406 I N 2.687 123.336 120.570 0.131 0.000 2.392 406 I HA 0.405 4.575 4.170 -0.000 0.000 0.295 406 I C -1.402 174.789 176.117 0.123 0.000 0.985 406 I CA -0.560 60.827 61.300 0.145 0.000 1.221 406 I CB 1.167 39.225 38.000 0.097 0.000 1.366 406 I HN 0.517 nan 8.210 nan 0.000 0.467 407 L N 6.806 128.105 121.223 0.126 0.000 2.272 407 L HA 0.791 5.131 4.340 -0.000 0.000 0.289 407 L C 0.515 177.443 176.870 0.097 0.000 1.032 407 L CA -0.420 54.472 54.840 0.087 0.000 0.810 407 L CB 1.153 43.196 42.059 -0.026 0.000 1.205 407 L HN 0.939 nan 8.230 nan 0.000 0.422 408 G N 1.771 110.650 108.800 0.132 0.000 2.495 408 G HA2 0.474 4.434 3.960 -0.000 0.000 0.318 408 G HA3 0.474 4.434 3.960 -0.000 0.000 0.318 408 G C -0.964 174.020 174.900 0.140 0.000 1.257 408 G CA -0.510 44.657 45.100 0.113 0.000 0.962 408 G HN 0.556 nan 8.290 nan 0.000 0.483 409 Q N 1.390 121.256 119.800 0.111 0.000 2.300 409 Q HA 0.151 4.491 4.340 -0.000 0.000 0.280 409 Q C 1.498 177.551 176.000 0.090 0.000 1.033 409 Q CA 0.087 55.957 55.803 0.112 0.000 0.903 409 Q CB 1.250 30.038 28.738 0.083 0.000 1.195 409 Q HN 0.505 nan 8.270 nan 0.000 0.386 410 K N 2.517 122.967 120.400 0.084 0.000 1.990 410 K HA -0.277 4.043 4.320 -0.000 0.000 0.225 410 K C 1.795 178.416 176.600 0.035 0.000 1.053 410 K CA 2.672 58.987 56.287 0.046 0.000 0.982 410 K CB -0.648 31.862 32.500 0.017 0.000 0.734 410 K HN 0.865 nan 8.250 nan 0.000 0.448 411 S N -1.530 114.187 115.700 0.028 0.000 2.414 411 S HA -0.080 4.390 4.470 -0.000 0.000 0.227 411 S C 1.725 176.338 174.600 0.023 0.000 1.022 411 S CA 1.249 59.460 58.200 0.019 0.000 0.958 411 S CB -0.583 62.625 63.200 0.014 0.000 0.797 411 S HN 0.531 nan 8.310 nan 0.000 0.493 412 T N -1.928 112.645 114.554 0.032 0.000 3.206 412 T HA 0.240 4.590 4.350 -0.000 0.000 0.253 412 T C 0.354 175.077 174.700 0.038 0.000 1.042 412 T CA 0.402 62.521 62.100 0.033 0.000 0.931 412 T CB -0.546 68.344 68.868 0.035 0.000 1.029 412 T HN 0.194 nan 8.240 nan 0.000 0.564 413 D N 1.172 121.596 120.400 0.040 0.000 3.027 413 D HA -0.213 4.427 4.640 -0.000 0.000 0.224 413 D C 0.308 176.637 176.300 0.048 0.000 1.193 413 D CA 1.196 55.222 54.000 0.043 0.000 0.858 413 D CB -0.782 40.039 40.800 0.034 0.000 1.104 413 D HN 0.784 nan 8.370 nan 0.000 0.406 414 R N -0.221 120.312 120.500 0.054 0.000 2.347 414 R HA 0.400 4.740 4.340 -0.000 0.000 0.304 414 R C -0.691 175.649 176.300 0.066 0.000 1.072 414 R CA -0.488 55.647 56.100 0.058 0.000 0.980 414 R CB 0.812 31.147 30.300 0.057 0.000 0.986 414 R HN -0.079 nan 8.270 nan 0.000 0.448 415 V N 7.044 126.999 119.914 0.068 0.000 2.585 415 V HA 0.013 4.133 4.120 -0.000 0.000 0.296 415 V C 1.067 177.207 176.094 0.076 0.000 1.035 415 V CA 0.381 62.726 62.300 0.075 0.000 1.084 415 V CB 0.660 32.535 31.823 0.087 0.000 0.953 415 V HN 0.839 nan 8.190 nan 0.000 0.483 416 L N 3.651 124.918 121.223 0.073 0.000 2.766 416 L HA 0.535 4.875 4.340 -0.000 0.000 0.241 416 L C 0.882 177.790 176.870 0.064 0.000 1.080 416 L CA 0.542 55.419 54.840 0.062 0.000 0.909 416 L CB 0.600 42.686 42.059 0.046 0.000 1.277 416 L HN 0.776 nan 8.230 nan 0.000 0.510 417 G N 0.068 108.914 108.800 0.076 0.000 2.703 417 G HA2 0.699 4.659 3.960 -0.000 0.000 0.294 417 G HA3 0.699 4.659 3.960 -0.000 0.000 0.294 417 G C -2.019 172.907 174.900 0.042 0.000 1.451 417 G CA 0.015 45.153 45.100 0.063 0.000 0.869 417 G HN -0.001 nan 8.290 nan 0.000 0.516 418 A N 1.520 124.232 122.820 -0.181 0.000 2.422 418 A HA 0.904 5.224 4.320 -0.000 0.000 0.302 418 A C -1.123 176.263 177.584 -0.330 0.000 1.041 418 A CA -0.709 51.307 52.037 -0.034 0.000 0.708 418 A CB 1.400 20.460 19.000 0.100 0.000 1.257 418 A HN 0.797 nan 8.150 nan 0.000 0.414 419 H N 1.256 120.413 119.070 0.144 0.000 2.865 419 H HA 0.545 5.101 4.556 -0.000 0.000 0.362 419 H C -1.695 173.695 175.328 0.103 0.000 1.114 419 H CA -0.348 55.782 56.048 0.137 0.000 1.208 419 H CB 1.874 31.663 29.762 0.045 0.000 1.727 419 H HN 0.511 nan 8.280 nan 0.000 0.534 420 I N 3.343 124.034 120.570 0.202 0.000 2.534 420 I HA 0.148 4.317 4.170 -0.000 0.000 0.288 420 I C -1.049 175.149 176.117 0.136 0.000 1.077 420 I CA -0.475 60.924 61.300 0.165 0.000 1.051 420 I CB 2.304 40.383 38.000 0.133 0.000 1.234 420 I HN 0.246 nan 8.210 nan 0.000 0.425 421 L N 6.380 127.705 121.223 0.170 0.000 2.349 421 L HA 1.033 5.373 4.340 -0.000 0.000 0.278 421 L C -0.110 176.923 176.870 0.271 0.000 0.996 421 L CA 0.282 55.190 54.840 0.113 0.000 0.825 421 L CB 1.161 43.261 42.059 0.069 0.000 1.243 421 L HN 0.792 nan 8.230 nan 0.000 0.412 422 G N 4.294 113.149 108.800 0.090 0.000 2.359 422 G HA2 0.203 4.163 3.960 -0.000 0.000 0.293 422 G HA3 0.203 4.163 3.960 -0.000 0.000 0.293 422 G C -3.409 171.291 174.900 -0.333 0.000 1.300 422 G CA -0.599 44.432 45.100 -0.114 0.000 0.888 422 G HN 0.509 nan 8.290 nan 0.000 0.541 423 P HA 0.356 nan 4.420 nan 0.000 0.272 423 P C 1.157 178.299 177.300 -0.263 0.000 1.223 423 P CA 1.573 64.503 63.100 -0.283 0.000 0.784 423 P CB 0.958 32.505 31.700 -0.256 0.000 0.923 424 G N 1.951 110.689 108.800 -0.102 0.000 2.216 424 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.269 424 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.269 424 G C 1.253 176.112 174.900 -0.068 0.000 0.981 424 G CA 0.901 45.958 45.100 -0.072 0.000 0.658 424 G HN 0.726 nan 8.290 nan 0.000 0.539 425 A N 0.068 122.841 122.820 -0.079 0.000 1.915 425 A HA 0.040 4.360 4.320 -0.000 0.000 0.220 425 A C 2.918 180.430 177.584 -0.120 0.000 1.198 425 A CA 2.592 54.591 52.037 -0.063 0.000 0.647 425 A CB -1.221 17.741 19.000 -0.063 0.000 0.825 425 A HN 1.695 nan 8.150 nan 0.000 0.456 426 G N -1.063 107.649 108.800 -0.147 0.000 2.422 426 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 426 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 426 G C 1.413 176.240 174.900 -0.122 0.000 1.146 426 G CA 1.043 46.033 45.100 -0.184 0.000 0.769 426 G HN 0.558 nan 8.290 nan 0.000 0.547 427 E N 0.050 120.203 120.200 -0.078 0.000 2.122 427 E HA 0.082 4.432 4.350 -0.000 0.000 0.190 427 E C 2.628 179.162 176.600 -0.110 0.000 0.977 427 E CA 0.212 56.568 56.400 -0.072 0.000 0.820 427 E CB -0.294 29.383 29.700 -0.038 0.000 0.770 427 E HN 0.414 nan 8.360 nan 0.000 0.462 428 M N 0.586 120.116 119.600 -0.116 0.000 2.159 428 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 428 M C 2.429 178.542 176.300 -0.311 0.000 1.063 428 M CA 0.928 56.120 55.300 -0.179 0.000 1.110 428 M CB -0.319 32.209 32.600 -0.119 0.000 1.374 428 M HN -0.028 nan 8.290 nan 0.000 0.411 429 V N 1.207 120.967 119.914 -0.256 0.000 2.720 429 V HA -0.246 3.874 4.120 -0.000 0.000 0.256 429 V C 1.795 177.740 176.094 -0.248 0.000 1.082 429 V CA 1.728 63.861 62.300 -0.278 0.000 1.101 429 V CB -0.640 31.039 31.823 -0.241 0.000 0.693 429 V HN 0.473 nan 8.190 nan 0.000 0.479 430 N N 0.258 118.834 118.700 -0.206 0.000 2.142 430 N HA -0.183 4.557 4.740 -0.000 0.000 0.186 430 N C 1.814 177.246 175.510 -0.130 0.000 1.023 430 N CA 1.708 54.665 53.050 -0.155 0.000 0.852 430 N CB -0.327 38.085 38.487 -0.125 0.000 0.998 430 N HN 0.697 nan 8.380 nan 0.000 0.424 431 E N 0.936 121.042 120.200 -0.158 0.000 2.097 431 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 431 E C 1.790 178.327 176.600 -0.106 0.000 1.000 431 E CA 1.270 57.602 56.400 -0.113 0.000 0.804 431 E CB -0.015 29.601 29.700 -0.140 0.000 0.740 431 E HN 0.325 nan 8.360 nan 0.000 0.454 432 A N 1.172 123.813 122.820 -0.299 0.000 1.865 432 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 432 A C 2.430 180.009 177.584 -0.010 0.000 1.191 432 A CA 2.177 54.111 52.037 -0.171 0.000 0.623 432 A CB -0.960 17.877 19.000 -0.272 0.000 0.826 432 A HN 0.437 nan 8.150 nan 0.000 0.444 433 A N -0.826 121.957 122.820 -0.061 0.000 1.933 433 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 433 A C 2.135 179.730 177.584 0.019 0.000 1.175 433 A CA 1.719 53.738 52.037 -0.031 0.000 0.628 433 A CB -0.573 18.386 19.000 -0.069 0.000 0.814 433 A HN 0.735 nan 8.150 nan 0.000 0.444 434 L N -0.291 120.957 121.223 0.041 0.000 2.056 434 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 434 L C 2.586 179.583 176.870 0.212 0.000 1.078 434 L CA 2.134 57.045 54.840 0.119 0.000 0.749 434 L CB -0.673 41.457 42.059 0.118 0.000 0.901 434 L HN 0.312 nan 8.230 nan 0.000 0.433 435 A N -0.863 122.069 122.820 0.186 0.000 2.015 435 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 435 A C 2.094 179.791 177.584 0.188 0.000 1.163 435 A CA 1.490 53.657 52.037 0.216 0.000 0.646 435 A CB -0.598 18.549 19.000 0.245 0.000 0.806 435 A HN 0.427 nan 8.150 nan 0.000 0.448 436 L N -0.464 120.837 121.223 0.130 0.000 2.095 436 L HA -0.025 4.315 4.340 -0.000 0.000 0.204 436 L C 2.326 179.236 176.870 0.066 0.000 1.080 436 L CA 1.314 56.208 54.840 0.091 0.000 0.759 436 L CB -1.374 40.718 42.059 0.056 0.000 0.914 436 L HN 0.410 nan 8.230 nan 0.000 0.439 437 E N -0.677 119.541 120.200 0.030 0.000 2.265 437 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 437 E C 1.353 177.875 176.600 -0.131 0.000 0.996 437 E CA 0.960 57.322 56.400 -0.065 0.000 0.832 437 E CB 0.003 29.627 29.700 -0.127 0.000 0.756 437 E HN 0.457 nan 8.360 nan 0.000 0.491 438 Y N 0.045 120.366 120.300 0.034 0.000 2.470 438 Y HA 0.188 4.738 4.550 -0.000 0.000 0.284 438 Y C 1.413 177.334 175.900 0.035 0.000 1.188 438 Y CA 0.339 58.458 58.100 0.032 0.000 1.269 438 Y CB 0.401 38.881 38.460 0.033 0.000 1.094 438 Y HN 0.058 nan 8.280 nan 0.000 0.518 439 G N 0.805 109.690 108.800 0.141 0.000 2.361 439 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.294 439 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.294 439 G C 0.496 175.469 174.900 0.121 0.000 1.004 439 G CA 0.200 45.366 45.100 0.111 0.000 0.870 439 G HN 0.654 nan 8.290 nan 0.000 0.510 440 A N -0.208 122.700 122.820 0.146 0.000 2.445 440 A HA 0.673 4.993 4.320 -0.000 0.000 0.242 440 A C 0.998 178.632 177.584 0.083 0.000 1.075 440 A CA 0.863 52.967 52.037 0.111 0.000 0.777 440 A CB 0.428 19.499 19.000 0.118 0.000 1.013 440 A HN 2.001 nan 8.150 nan 0.000 0.493 441 S N 0.709 116.444 115.700 0.059 0.000 2.651 441 S HA 0.279 4.749 4.470 -0.000 0.000 0.291 441 S C 1.143 175.759 174.600 0.026 0.000 1.141 441 S CA -0.141 58.086 58.200 0.045 0.000 1.027 441 S CB 0.780 64.003 63.200 0.039 0.000 1.043 441 S HN 0.752 nan 8.310 nan 0.000 0.530 442 C N 1.226 120.537 119.300 0.018 0.000 2.375 442 C HA -0.146 4.314 4.460 -0.000 0.000 0.274 442 C C 2.748 177.722 174.990 -0.026 0.000 1.190 442 C CA 1.677 60.686 59.018 -0.014 0.000 1.775 442 C CB -1.517 26.226 27.740 0.004 0.000 2.067 442 C HN 1.075 nan 8.230 nan 0.000 0.463 443 E N 0.383 120.584 120.200 0.003 0.000 2.077 443 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 443 E C 1.556 178.154 176.600 -0.002 0.000 0.989 443 E CA 1.535 57.939 56.400 0.008 0.000 0.800 443 E CB -0.200 29.516 29.700 0.027 0.000 0.746 443 E HN 0.579 nan 8.360 nan 0.000 0.452 444 D N 0.403 120.805 120.400 0.004 0.000 2.133 444 D HA -0.209 4.431 4.640 -0.000 0.000 0.192 444 D C 1.877 178.178 176.300 0.001 0.000 1.001 444 D CA 1.205 55.207 54.000 0.003 0.000 0.844 444 D CB -0.283 40.523 40.800 0.010 0.000 0.944 444 D HN 0.271 nan 8.370 nan 0.000 0.447 445 I N 0.869 121.427 120.570 -0.020 0.000 2.315 445 I HA -0.140 4.030 4.170 -0.000 0.000 0.248 445 I C 2.374 178.459 176.117 -0.054 0.000 1.117 445 I CA 0.878 62.159 61.300 -0.032 0.000 1.404 445 I CB -0.401 37.487 38.000 -0.186 0.000 1.071 445 I HN -0.082 nan 8.210 nan 0.000 0.419 446 A N 0.192 122.961 122.820 -0.084 0.000 2.067 446 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 446 A C 2.245 179.809 177.584 -0.035 0.000 1.158 446 A CA 1.248 53.230 52.037 -0.093 0.000 0.661 446 A CB -0.325 18.630 19.000 -0.075 0.000 0.801 446 A HN 0.171 nan 8.150 nan 0.000 0.452 447 R N -0.384 120.114 120.500 -0.002 0.000 2.127 447 R HA 0.110 4.450 4.340 -0.000 0.000 0.217 447 R C 0.653 176.975 176.300 0.036 0.000 1.074 447 R CA 0.052 56.160 56.100 0.013 0.000 0.991 447 R CB -1.311 28.995 30.300 0.010 0.000 0.895 447 R HN 0.325 nan 8.270 nan 0.000 0.450 448 V N 0.828 120.783 119.914 0.068 0.000 2.763 448 V HA -0.085 4.035 4.120 -0.000 0.000 0.306 448 V C 0.668 176.872 176.094 0.184 0.000 1.059 448 V CA -0.477 61.880 62.300 0.094 0.000 1.138 448 V CB 0.915 32.799 31.823 0.102 0.000 0.940 448 V HN 0.248 nan 8.190 nan 0.000 0.489 449 C N 6.663 126.016 119.300 0.089 0.000 2.246 449 C HA 0.372 4.832 4.460 -0.000 0.000 0.329 449 C C 0.354 175.398 174.990 0.089 0.000 1.221 449 C CA -0.575 58.508 59.018 0.108 0.000 1.697 449 C CB -1.606 26.158 27.740 0.040 0.000 2.312 449 C HN 0.903 nan 8.230 nan 0.000 0.509 450 H N 4.058 123.137 119.070 0.014 0.000 2.473 450 H HA 0.433 4.989 4.556 -0.000 0.000 0.327 450 H C 0.561 175.912 175.328 0.037 0.000 1.105 450 H CA -0.366 55.697 56.048 0.024 0.000 1.280 450 H CB 1.551 31.325 29.762 0.021 0.000 1.450 450 H HN 0.856 nan 8.280 nan 0.000 0.492 451 A N 2.826 125.717 122.820 0.119 0.000 2.520 451 A HA -0.010 4.310 4.320 -0.000 0.000 0.235 451 A C -0.138 177.527 177.584 0.134 0.000 1.065 451 A CA 0.310 52.408 52.037 0.102 0.000 0.764 451 A CB -0.217 18.819 19.000 0.060 0.000 1.002 451 A HN 0.881 nan 8.150 nan 0.000 0.502 452 H N 1.607 120.705 119.070 0.047 0.000 2.524 452 H HA 0.623 5.179 4.556 -0.000 0.000 0.353 452 H C -2.380 172.971 175.328 0.038 0.000 1.136 452 H CA -1.705 54.369 56.048 0.043 0.000 1.193 452 H CB 1.436 31.218 29.762 0.034 0.000 1.558 452 H HN 0.587 nan 8.280 nan 0.000 0.515 453 P HA 0.234 nan 4.420 nan 0.000 0.297 453 P C -1.323 175.862 177.300 -0.192 0.000 1.319 453 P CA -0.546 62.242 63.100 -0.520 0.000 0.810 453 P CB 1.492 32.998 31.700 -0.324 0.000 0.947 454 T N -0.514 113.941 114.554 -0.164 0.000 2.900 454 T HA 0.246 4.596 4.350 -0.000 0.000 0.303 454 T C 1.038 175.743 174.700 0.007 0.000 1.142 454 T CA -0.850 61.228 62.100 -0.036 0.000 1.007 454 T CB 0.839 69.720 68.868 0.023 0.000 1.156 454 T HN -0.071 nan 8.240 nan 0.000 0.490 455 L N 1.677 122.932 121.223 0.052 0.000 2.064 455 L HA -0.128 4.212 4.340 -0.000 0.000 0.216 455 L C 2.843 179.824 176.870 0.185 0.000 1.077 455 L CA 1.917 56.843 54.840 0.143 0.000 0.766 455 L CB -2.019 40.081 42.059 0.067 0.000 0.890 455 L HN 0.895 nan 8.230 nan 0.000 0.435 456 S N -0.767 115.022 115.700 0.149 0.000 2.420 456 S HA -0.222 4.248 4.470 -0.000 0.000 0.237 456 S C 1.771 176.436 174.600 0.108 0.000 1.023 456 S CA 1.132 59.463 58.200 0.219 0.000 0.991 456 S CB -0.266 63.131 63.200 0.327 0.000 0.792 456 S HN 0.555 nan 8.310 nan 0.000 0.488 457 E N 1.256 121.447 120.200 -0.014 0.000 2.153 457 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 457 E C 2.372 178.750 176.600 -0.370 0.000 0.988 457 E CA 0.909 57.181 56.400 -0.212 0.000 0.811 457 E CB -0.277 29.320 29.700 -0.173 0.000 0.746 457 E HN 0.559 nan 8.360 nan 0.000 0.466 458 A N 1.027 123.689 122.820 -0.262 0.000 1.908 458 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 458 A C 1.963 179.379 177.584 -0.279 0.000 1.181 458 A CA 1.285 53.071 52.037 -0.419 0.000 0.627 458 A CB -0.665 18.224 19.000 -0.184 0.000 0.818 458 A HN 0.350 nan 8.150 nan 0.000 0.445 459 F N 0.420 120.229 119.950 -0.234 0.000 2.163 459 F HA -0.053 4.474 4.527 -0.000 0.000 0.297 459 F C 2.305 177.955 175.800 -0.250 0.000 1.094 459 F CA 1.619 59.519 58.000 -0.167 0.000 1.290 459 F CB -0.353 38.615 39.000 -0.052 0.000 1.017 459 F HN 0.240 nan 8.300 nan 0.000 0.483 460 R N 0.478 120.646 120.500 -0.554 0.000 2.073 460 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 460 R C 2.151 178.161 176.300 -0.482 0.000 1.134 460 R CA 1.783 57.488 56.100 -0.659 0.000 0.952 460 R CB -0.462 29.360 30.300 -0.796 0.000 0.850 460 R HN 0.275 nan 8.270 nan 0.000 0.433 461 E N 0.216 120.113 120.200 -0.506 0.000 2.118 461 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 461 E C 1.864 178.323 176.600 -0.236 0.000 0.992 461 E CA 1.350 57.477 56.400 -0.454 0.000 0.804 461 E CB -0.124 28.993 29.700 -0.971 0.000 0.741 461 E HN 0.506 nan 8.360 nan 0.000 0.458 462 A N 1.696 124.373 122.820 -0.237 0.000 1.930 462 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 462 A C 1.920 179.434 177.584 -0.117 0.000 1.175 462 A CA 1.078 53.062 52.037 -0.087 0.000 0.627 462 A CB -0.309 18.657 19.000 -0.057 0.000 0.815 462 A HN 0.151 nan 8.150 nan 0.000 0.443 463 N N -0.228 118.321 118.700 -0.252 0.000 2.216 463 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 463 N C 1.697 177.145 175.510 -0.103 0.000 1.017 463 N CA 1.457 54.386 53.050 -0.202 0.000 0.861 463 N CB -0.342 37.946 38.487 -0.332 0.000 0.986 463 N HN 0.436 nan 8.380 nan 0.000 0.428 464 L N 1.591 122.740 121.223 -0.124 0.000 2.042 464 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 464 L C 2.127 179.006 176.870 0.014 0.000 1.076 464 L CA 1.619 56.422 54.840 -0.062 0.000 0.749 464 L CB -0.860 41.132 42.059 -0.112 0.000 0.893 464 L HN 0.068 nan 8.230 nan 0.000 0.432 465 A N -0.646 122.187 122.820 0.021 0.000 2.015 465 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 465 A C 2.385 180.025 177.584 0.092 0.000 1.163 465 A CA 1.433 53.521 52.037 0.085 0.000 0.646 465 A CB -0.967 18.102 19.000 0.115 0.000 0.806 465 A HN 0.592 nan 8.150 nan 0.000 0.448 466 A N -0.036 122.820 122.820 0.059 0.000 2.016 466 A HA 0.074 4.394 4.320 -0.000 0.000 0.217 466 A C 2.370 179.998 177.584 0.074 0.000 1.162 466 A CA 1.836 53.912 52.037 0.065 0.000 0.662 466 A CB -0.481 18.547 19.000 0.047 0.000 0.812 466 A HN 0.727 nan 8.150 nan 0.000 0.450 467 S N -1.161 114.587 115.700 0.081 0.000 2.370 467 S HA 0.246 4.716 4.470 -0.000 0.000 0.214 467 S C 0.559 175.242 174.600 0.138 0.000 1.033 467 S CA -0.064 58.191 58.200 0.090 0.000 0.941 467 S CB -0.610 62.637 63.200 0.078 0.000 0.886 467 S HN 0.335 nan 8.310 nan 0.000 0.521 468 F N 3.414 123.364 119.950 0.000 0.000 2.389 468 F HA 0.625 5.152 4.527 -0.000 0.000 0.337 468 F C 1.598 177.405 175.800 0.013 0.000 1.112 468 F CA -1.076 56.926 58.000 0.005 0.000 1.192 468 F CB 0.558 39.559 39.000 0.002 0.000 1.185 468 F HN 0.279 nan 8.300 nan 0.000 0.552 469 G N 4.491 113.513 108.800 0.370 0.000 2.550 469 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.222 469 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.222 469 G C -0.070 174.980 174.900 0.250 0.000 1.113 469 G CA 1.317 46.576 45.100 0.266 0.000 0.748 469 G HN 0.666 nan 8.290 nan 0.000 0.585 470 K N -0.595 119.977 120.400 0.287 0.000 2.536 470 K HA 0.538 4.858 4.320 -0.000 0.000 0.269 470 K C -0.484 176.123 176.600 0.011 0.000 0.965 470 K CA -0.550 55.813 56.287 0.127 0.000 0.860 470 K CB 1.649 34.208 32.500 0.097 0.000 1.423 470 K HN 0.100 nan 8.250 nan 0.000 0.438 471 S N 0.634 116.375 115.700 0.069 0.000 2.607 471 S HA 0.314 4.784 4.470 -0.000 0.000 0.272 471 S C 1.014 175.620 174.600 0.010 0.000 1.166 471 S CA -0.720 57.503 58.200 0.038 0.000 1.021 471 S CB 0.245 63.562 63.200 0.196 0.000 1.113 471 S HN 0.531 nan 8.310 nan 0.000 0.531 472 I N 1.108 121.701 120.570 0.038 0.000 2.499 472 I HA 0.112 4.282 4.170 -0.000 0.000 0.243 472 I C 1.524 177.715 176.117 0.124 0.000 1.085 472 I CA 0.801 62.116 61.300 0.026 0.000 1.422 472 I CB -1.939 36.056 38.000 -0.007 0.000 1.165 472 I HN 0.538 nan 8.210 nan 0.000 0.440 473 N N -0.195 118.658 118.700 0.256 0.000 2.521 473 N HA 0.022 4.762 4.740 -0.000 0.000 0.188 473 N C -0.160 175.582 175.510 0.388 0.000 1.146 473 N CA 0.267 53.524 53.050 0.344 0.000 0.893 473 N CB 0.124 38.910 38.487 0.497 0.000 0.975 473 N HN 0.207 nan 8.380 nan 0.000 0.451 474 F N 0.000 120.028 119.950 0.130 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 57.959 58.000 -0.068 0.000 1.383 474 F CB 0.000 38.767 39.000 -0.388 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574