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_H 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 0.000 177.585 177.584 0.001 0.000 1.274 1 A CA 0.000 52.037 52.037 0.001 0.000 0.836 1 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 2 D N -0.725 119.677 120.400 0.003 0.000 2.469 2 D HA 0.055 4.695 4.640 -0.000 0.000 0.213 2 D C 0.626 176.930 176.300 0.006 0.000 1.135 2 D CA -0.046 53.957 54.000 0.005 0.000 0.834 2 D CB -0.448 40.356 40.800 0.007 0.000 1.009 2 D HN 0.535 nan 8.370 nan 0.000 0.507 3 Q N 2.303 122.105 119.800 0.004 0.000 2.398 3 Q HA -0.001 4.339 4.340 -0.000 0.000 0.329 3 Q C -1.933 174.071 176.000 0.006 0.000 1.079 3 Q CA -0.798 55.008 55.803 0.005 0.000 1.041 3 Q CB 0.548 29.288 28.738 0.004 0.000 1.084 3 Q HN 0.053 nan 8.270 nan 0.000 0.386 4 P HA 0.011 nan 4.420 nan 0.000 0.268 4 P C -0.471 176.834 177.300 0.008 0.000 1.204 4 P CA 0.414 63.520 63.100 0.009 0.000 0.768 4 P CB 0.263 31.969 31.700 0.010 0.000 0.842 5 I N -0.173 120.402 120.570 0.008 0.000 2.525 5 I HA 0.504 4.674 4.170 -0.000 0.000 0.301 5 I C -0.713 175.409 176.117 0.009 0.000 0.992 5 I CA -0.785 60.519 61.300 0.007 0.000 1.162 5 I CB 2.118 40.121 38.000 0.005 0.000 1.332 5 I HN 0.089 nan 8.210 nan 0.000 0.458 6 D N 5.738 126.144 120.400 0.009 0.000 2.193 6 D HA 0.617 5.257 4.640 -0.000 0.000 0.244 6 D C -0.634 175.674 176.300 0.013 0.000 1.064 6 D CA -0.199 53.808 54.000 0.012 0.000 0.845 6 D CB 2.243 43.052 40.800 0.014 0.000 1.148 6 D HN 0.798 nan 8.370 nan 0.000 0.464 7 A N 1.719 124.547 122.820 0.014 0.000 2.498 7 A HA 0.329 4.649 4.320 -0.000 0.000 0.298 7 A C 0.325 177.924 177.584 0.025 0.000 1.075 7 A CA -0.672 51.374 52.037 0.015 0.000 0.714 7 A CB 1.681 20.680 19.000 -0.003 0.000 1.299 7 A HN 0.393 nan 8.150 nan 0.000 0.407 8 D N -0.272 120.162 120.400 0.056 0.000 2.183 8 D HA 0.076 4.716 4.640 -0.000 0.000 0.203 8 D C 0.121 176.383 176.300 -0.063 0.000 0.969 8 D CA 1.651 55.701 54.000 0.084 0.000 0.842 8 D CB 0.353 41.353 40.800 0.332 0.000 0.957 8 D HN 0.207 nan 8.370 nan 0.000 0.484 9 V N 0.369 120.219 119.914 -0.107 0.000 2.808 9 V HA 0.298 4.418 4.120 -0.000 0.000 0.308 9 V C -0.527 175.502 176.094 -0.108 0.000 1.099 9 V CA -0.796 61.389 62.300 -0.191 0.000 0.920 9 V CB 2.348 33.964 31.823 -0.345 0.000 1.014 9 V HN 0.052 nan 8.190 nan 0.000 0.425 10 T N 0.974 115.477 114.554 -0.084 0.000 2.840 10 T HA 0.732 5.082 4.350 -0.000 0.000 0.287 10 T C -0.762 173.907 174.700 -0.052 0.000 0.991 10 T CA -0.667 61.401 62.100 -0.054 0.000 0.964 10 T CB 1.392 70.247 68.868 -0.021 0.000 0.954 10 T HN 0.315 nan 8.240 nan 0.000 0.438 11 V N 4.785 124.668 119.914 -0.052 0.000 2.465 11 V HA 0.419 4.539 4.120 -0.000 0.000 0.279 11 V C 0.279 176.373 176.094 0.000 0.000 1.045 11 V CA -0.824 61.454 62.300 -0.035 0.000 0.938 11 V CB 0.961 32.760 31.823 -0.039 0.000 0.986 11 V HN 0.853 nan 8.190 nan 0.000 0.467 12 I N 4.516 125.087 120.570 0.003 0.000 2.330 12 I HA 0.723 4.893 4.170 -0.000 0.000 0.286 12 I C 0.613 176.737 176.117 0.012 0.000 1.025 12 I CA -0.138 61.166 61.300 0.006 0.000 1.197 12 I CB 0.992 38.988 38.000 -0.007 0.000 1.358 12 I HN 0.870 nan 8.210 nan 0.000 0.467 13 G N 3.888 112.704 108.800 0.026 0.000 2.841 13 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.684 13 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.684 13 G C -0.241 174.702 174.900 0.071 0.000 1.273 13 G CA -0.254 44.867 45.100 0.035 0.000 0.811 13 G HN 0.752 nan 8.290 nan 0.000 0.631 14 S N 0.916 116.661 115.700 0.076 0.000 2.902 14 S HA 0.631 5.101 4.470 -0.000 0.000 0.250 14 S C 1.113 175.804 174.600 0.153 0.000 1.046 14 S CA 0.771 59.054 58.200 0.139 0.000 1.069 14 S CB 0.336 63.586 63.200 0.082 0.000 0.967 14 S HN 2.027 nan 8.310 nan 0.000 0.530 15 G N 2.027 110.896 108.800 0.116 0.000 2.611 15 G HA2 0.530 4.490 3.960 -0.000 0.000 0.273 15 G HA3 0.530 4.490 3.960 -0.000 0.000 0.273 15 G C -2.864 172.138 174.900 0.169 0.000 1.305 15 G CA -1.713 43.464 45.100 0.128 0.000 1.010 15 G HN 0.332 nan 8.290 nan 0.000 0.509 16 P HA 0.163 nan 4.420 nan 0.000 0.267 16 P C 1.067 178.252 177.300 -0.192 0.000 1.201 16 P CA 1.539 64.566 63.100 -0.121 0.000 0.775 16 P CB 0.727 32.396 31.700 -0.052 0.000 0.854 17 G N 1.343 109.946 108.800 -0.328 0.000 4.365 17 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.214 17 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.214 17 G C 1.437 176.250 174.900 -0.144 0.000 1.450 17 G CA 0.495 45.476 45.100 -0.199 0.000 0.937 17 G HN 0.744 nan 8.290 nan 0.000 0.625 18 G N 0.587 109.352 108.800 -0.059 0.000 2.480 18 G HA2 0.017 3.977 3.960 -0.000 0.000 0.216 18 G HA3 0.017 3.977 3.960 -0.000 0.000 0.216 18 G C 1.672 176.623 174.900 0.085 0.000 1.200 18 G CA 2.321 47.433 45.100 0.019 0.000 0.782 18 G HN 1.451 nan 8.290 nan 0.000 0.554 19 Y N 0.042 120.392 120.300 0.083 0.000 2.420 19 Y HA 0.353 4.903 4.550 -0.000 0.000 0.292 19 Y C 2.260 178.266 175.900 0.176 0.000 1.119 19 Y CA 0.520 58.750 58.100 0.217 0.000 1.229 19 Y CB -0.458 38.072 38.460 0.117 0.000 1.026 19 Y HN 0.018 nan 8.280 nan 0.000 0.554 20 V N 1.061 120.715 119.914 -0.434 0.000 2.379 20 V HA -0.082 4.038 4.120 -0.000 0.000 0.243 20 V C 2.810 178.815 176.094 -0.148 0.000 1.035 20 V CA 1.517 63.587 62.300 -0.384 0.000 1.035 20 V CB -1.100 30.404 31.823 -0.531 0.000 0.673 20 V HN 0.558 nan 8.190 nan 0.000 0.457 21 A N 0.280 123.010 122.820 -0.150 0.000 1.917 21 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 21 A C 2.424 179.960 177.584 -0.079 0.000 1.182 21 A CA 2.401 54.365 52.037 -0.121 0.000 0.633 21 A CB -0.897 18.014 19.000 -0.148 0.000 0.819 21 A HN 0.587 nan 8.150 nan 0.000 0.448 22 A N 0.231 123.028 122.820 -0.037 0.000 1.873 22 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 22 A C 2.138 179.674 177.584 -0.080 0.000 1.193 22 A CA 1.724 53.712 52.037 -0.082 0.000 0.629 22 A CB -0.721 18.205 19.000 -0.123 0.000 0.826 22 A HN 0.533 nan 8.150 nan 0.000 0.447 23 I N -0.811 119.774 120.570 0.026 0.000 2.127 23 I HA -0.280 3.890 4.170 -0.000 0.000 0.241 23 I C 2.572 178.701 176.117 0.021 0.000 1.075 23 I CA 2.039 63.372 61.300 0.054 0.000 1.334 23 I CB -0.592 37.508 38.000 0.167 0.000 1.040 23 I HN 0.278 nan 8.210 nan 0.000 0.405 24 K N 1.736 122.141 120.400 0.008 0.000 2.044 24 K HA -0.174 4.146 4.320 -0.000 0.000 0.210 24 K C 2.086 178.707 176.600 0.036 0.000 1.049 24 K CA 2.108 58.399 56.287 0.006 0.000 0.927 24 K CB -0.702 31.785 32.500 -0.022 0.000 0.713 24 K HN 0.322 nan 8.250 nan 0.000 0.443 25 A N 0.394 123.232 122.820 0.030 0.000 1.908 25 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 25 A C 2.379 180.072 177.584 0.182 0.000 1.181 25 A CA 2.372 54.489 52.037 0.133 0.000 0.627 25 A CB -1.176 17.808 19.000 -0.027 0.000 0.818 25 A HN 0.439 nan 8.150 nan 0.000 0.445 26 A N -0.545 122.311 122.820 0.060 0.000 1.849 26 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 26 A C 2.054 179.652 177.584 0.024 0.000 1.202 26 A CA 1.830 53.886 52.037 0.032 0.000 0.629 26 A CB -0.906 18.080 19.000 -0.024 0.000 0.834 26 A HN 0.633 nan 8.150 nan 0.000 0.447 27 Q N -0.720 119.091 119.800 0.017 0.000 2.325 27 Q HA -0.153 4.187 4.340 -0.000 0.000 0.211 27 Q C 1.257 177.251 176.000 -0.010 0.000 0.988 27 Q CA 1.259 57.065 55.803 0.005 0.000 0.887 27 Q CB -0.402 28.343 28.738 0.011 0.000 0.915 27 Q HN 0.712 nan 8.270 nan 0.000 0.440 28 L N -1.306 119.915 121.223 -0.002 0.000 2.653 28 L HA 0.264 4.604 4.340 -0.000 0.000 0.231 28 L C 0.959 177.707 176.870 -0.203 0.000 1.153 28 L CA 0.196 54.993 54.840 -0.072 0.000 0.933 28 L CB 0.328 42.369 42.059 -0.030 0.000 1.175 28 L HN 0.204 nan 8.230 nan 0.000 0.473 29 G N -0.332 108.383 108.800 -0.141 0.000 2.171 29 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.238 29 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.238 29 G C -0.134 174.614 174.900 -0.254 0.000 1.039 29 G CA -0.524 44.469 45.100 -0.179 0.000 0.759 29 G HN 0.122 nan 8.290 nan 0.000 0.501 30 F N 0.142 120.066 119.950 -0.044 0.000 2.394 30 F HA 0.605 5.132 4.527 -0.000 0.000 0.340 30 F C 0.807 176.576 175.800 -0.051 0.000 1.105 30 F CA -1.341 56.631 58.000 -0.047 0.000 1.124 30 F CB 1.538 40.502 39.000 -0.060 0.000 1.145 30 F HN -0.030 nan 8.300 nan 0.000 0.505 31 K N 2.607 123.103 120.400 0.161 0.000 2.382 31 K HA 0.171 4.491 4.320 -0.000 0.000 0.286 31 K C -0.730 175.900 176.600 0.050 0.000 1.062 31 K CA 0.260 56.590 56.287 0.072 0.000 1.000 31 K CB -0.407 32.124 32.500 0.052 0.000 0.954 31 K HN 0.646 nan 8.250 nan 0.000 0.470 32 T N 2.745 117.298 114.554 -0.001 0.000 2.888 32 T HA 0.577 4.927 4.350 -0.000 0.000 0.284 32 T C -0.704 173.946 174.700 -0.084 0.000 1.017 32 T CA -0.874 61.194 62.100 -0.055 0.000 1.022 32 T CB 1.587 70.400 68.868 -0.092 0.000 1.013 32 T HN 0.211 nan 8.240 nan 0.000 0.465 33 V N 1.085 120.950 119.914 -0.082 0.000 2.680 33 V HA 0.611 4.731 4.120 -0.000 0.000 0.309 33 V C -0.379 175.669 176.094 -0.077 0.000 1.052 33 V CA -0.910 61.349 62.300 -0.068 0.000 0.908 33 V CB 1.840 33.648 31.823 -0.024 0.000 1.001 33 V HN 1.148 nan 8.190 nan 0.000 0.431 34 C N 6.338 125.601 119.300 -0.061 0.000 2.369 34 C HA 0.748 5.208 4.460 -0.000 0.000 0.322 34 C C -0.454 174.618 174.990 0.135 0.000 1.258 34 C CA -0.435 58.590 59.018 0.012 0.000 1.487 34 C CB -0.328 27.404 27.740 -0.015 0.000 2.165 34 C HN 0.820 nan 8.230 nan 0.000 0.483 35 I N 4.653 125.290 120.570 0.113 0.000 2.377 35 I HA 0.550 4.720 4.170 -0.000 0.000 0.293 35 I C -0.517 175.670 176.117 0.118 0.000 0.987 35 I CA 0.079 61.458 61.300 0.132 0.000 1.185 35 I CB 1.703 39.746 38.000 0.072 0.000 1.341 35 I HN 0.654 nan 8.210 nan 0.000 0.455 36 E N 5.566 125.861 120.200 0.159 0.000 2.287 36 E HA 0.241 4.591 4.350 -0.000 0.000 0.274 36 E C -0.087 176.578 176.600 0.108 0.000 0.896 36 E CA -0.791 55.669 56.400 0.100 0.000 0.788 36 E CB 1.391 31.127 29.700 0.061 0.000 1.244 36 E HN 0.570 nan 8.360 nan 0.000 0.408 37 K N 2.717 123.147 120.400 0.050 0.000 2.062 37 K HA 0.061 4.381 4.320 -0.000 0.000 0.205 37 K C 0.039 176.689 176.600 0.083 0.000 1.051 37 K CA 0.559 56.898 56.287 0.086 0.000 0.941 37 K CB -0.318 32.239 32.500 0.095 0.000 0.719 37 K HN 0.297 nan 8.250 nan 0.000 0.440 38 N N 2.143 120.871 118.700 0.045 0.000 2.482 38 N HA -0.042 4.698 4.740 -0.000 0.000 0.260 38 N C 0.445 175.981 175.510 0.044 0.000 1.236 38 N CA -0.003 53.067 53.050 0.034 0.000 0.938 38 N CB 0.773 39.260 38.487 0.000 0.000 1.128 38 N HN 0.310 nan 8.380 nan 0.000 0.448 39 E N -0.992 119.229 120.200 0.036 0.000 2.396 39 E HA -0.153 4.197 4.350 -0.000 0.000 0.200 39 E C 0.060 176.677 176.600 0.027 0.000 1.023 39 E CA 0.722 57.147 56.400 0.040 0.000 0.857 39 E CB -0.232 29.483 29.700 0.026 0.000 0.775 39 E HN 0.602 nan 8.360 nan 0.000 0.525 40 T N -1.507 113.043 114.554 -0.006 0.000 2.903 40 T HA 0.557 4.907 4.350 -0.000 0.000 0.299 40 T C -0.139 174.502 174.700 -0.097 0.000 1.093 40 T CA -1.153 60.917 62.100 -0.049 0.000 1.002 40 T CB 1.624 70.456 68.868 -0.060 0.000 1.127 40 T HN 0.089 nan 8.240 nan 0.000 0.488 41 L N 1.618 122.728 121.223 -0.188 0.000 2.490 41 L HA 0.721 5.061 4.340 -0.000 0.000 0.245 41 L C 1.890 178.632 176.870 -0.213 0.000 1.185 41 L CA 0.056 54.747 54.840 -0.249 0.000 0.813 41 L CB -0.147 41.628 42.059 -0.473 0.000 1.233 41 L HN 1.148 nan 8.230 nan 0.000 0.489 42 G N -1.528 107.162 108.800 -0.183 0.000 2.307 42 G HA2 0.153 4.113 3.960 -0.000 0.000 0.210 42 G HA3 0.153 4.113 3.960 -0.000 0.000 0.210 42 G C 0.595 175.493 174.900 -0.003 0.000 1.005 42 G CA -0.255 44.777 45.100 -0.113 0.000 0.634 42 G HN 1.583 nan 8.290 nan 0.000 0.496 43 G N -1.066 107.722 108.800 -0.019 0.000 2.642 43 G HA2 0.138 4.098 3.960 -0.000 0.000 0.231 43 G HA3 0.138 4.098 3.960 -0.000 0.000 0.231 43 G C 1.313 176.206 174.900 -0.012 0.000 1.338 43 G CA 1.821 46.919 45.100 -0.003 0.000 0.883 43 G HN 2.016 nan 8.290 nan 0.000 0.570 44 T N -1.744 112.803 114.554 -0.012 0.000 2.720 44 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 44 T C 2.699 177.398 174.700 -0.002 0.000 1.037 44 T CA 3.350 65.442 62.100 -0.014 0.000 1.144 44 T CB -0.973 67.885 68.868 -0.017 0.000 0.864 44 T HN 1.914 nan 8.240 nan 0.000 0.444 45 C N 0.983 120.290 119.300 0.011 0.000 2.398 45 C HA -0.020 4.440 4.460 -0.000 0.000 0.276 45 C C 2.579 177.572 174.990 0.005 0.000 1.222 45 C CA 1.132 60.160 59.018 0.017 0.000 1.746 45 C CB -1.743 26.016 27.740 0.033 0.000 2.039 45 C HN 0.732 nan 8.230 nan 0.000 0.470 46 L N 2.065 123.289 121.223 0.002 0.000 2.023 46 L HA 0.072 4.412 4.340 -0.000 0.000 0.205 46 L C 2.215 179.067 176.870 -0.030 0.000 1.073 46 L CA 2.301 57.129 54.840 -0.019 0.000 0.745 46 L CB -1.279 40.758 42.059 -0.035 0.000 0.900 46 L HN 0.365 nan 8.230 nan 0.000 0.435 47 N N -0.361 118.320 118.700 -0.032 0.000 2.396 47 N HA -0.048 4.692 4.740 -0.000 0.000 0.180 47 N C 1.192 176.690 175.510 -0.020 0.000 1.028 47 N CA 1.744 54.775 53.050 -0.032 0.000 0.893 47 N CB 0.421 38.887 38.487 -0.035 0.000 0.967 47 N HN 0.543 nan 8.380 nan 0.000 0.440 48 V N -5.610 114.296 119.914 -0.014 0.000 3.699 48 V HA 0.538 4.658 4.120 -0.000 0.000 0.323 48 V C 0.592 176.689 176.094 0.006 0.000 1.574 48 V CA 0.137 62.435 62.300 -0.003 0.000 1.240 48 V CB 0.469 32.289 31.823 -0.005 0.000 1.014 48 V HN 0.097 nan 8.190 nan 0.000 0.469 49 G N -0.552 108.249 108.800 0.002 0.000 3.054 49 G HA2 0.165 4.125 3.960 -0.000 0.000 0.201 49 G HA3 0.165 4.125 3.960 -0.000 0.000 0.201 49 G C 1.069 175.970 174.900 0.003 0.000 1.694 49 G CA 0.684 45.792 45.100 0.012 0.000 0.742 49 G HN 0.205 nan 8.290 nan 0.000 0.790 50 C N 0.609 119.910 119.300 0.002 0.000 2.367 50 C HA -0.115 4.345 4.460 -0.000 0.000 0.276 50 C C 2.875 177.824 174.990 -0.068 0.000 1.195 50 C CA 1.502 60.507 59.018 -0.022 0.000 1.756 50 C CB -1.192 26.545 27.740 -0.005 0.000 2.046 50 C HN 0.384 nan 8.230 nan 0.000 0.453 51 I N 2.078 122.616 120.570 -0.054 0.000 2.099 51 I HA -0.084 4.086 4.170 -0.000 0.000 0.239 51 I C -0.054 176.023 176.117 -0.066 0.000 1.066 51 I CA 1.800 63.060 61.300 -0.068 0.000 1.324 51 I CB -3.113 34.856 38.000 -0.051 0.000 1.037 51 I HN 0.268 nan 8.210 nan 0.000 0.401 52 P HA -0.141 nan 4.420 nan 0.000 0.214 52 P C 2.121 179.387 177.300 -0.057 0.000 1.163 52 P CA 2.472 65.547 63.100 -0.041 0.000 0.889 52 P CB -0.179 31.509 31.700 -0.018 0.000 0.790 53 S N -0.754 114.916 115.700 -0.051 0.000 2.356 53 S HA -0.171 4.299 4.470 -0.000 0.000 0.223 53 S C 1.897 176.441 174.600 -0.093 0.000 1.032 53 S CA 1.239 59.404 58.200 -0.058 0.000 1.005 53 S CB -1.087 62.104 63.200 -0.014 0.000 0.867 53 S HN -0.072 nan 8.310 nan 0.000 0.449 54 K N 2.360 122.677 120.400 -0.139 0.000 2.152 54 K HA 0.213 4.533 4.320 -0.000 0.000 0.206 54 K C 2.314 178.835 176.600 -0.131 0.000 1.048 54 K CA 1.363 57.532 56.287 -0.197 0.000 0.933 54 K CB -1.367 30.937 32.500 -0.327 0.000 0.721 54 K HN 0.543 nan 8.250 nan 0.000 0.447 55 A N 0.548 123.307 122.820 -0.101 0.000 1.855 55 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 55 A C 2.240 179.778 177.584 -0.077 0.000 1.191 55 A CA 1.248 53.243 52.037 -0.071 0.000 0.613 55 A CB -0.654 18.311 19.000 -0.060 0.000 0.829 55 A HN 0.200 nan 8.150 nan 0.000 0.442 56 L N -0.711 120.445 121.223 -0.112 0.000 2.093 56 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 56 L C 2.584 179.353 176.870 -0.169 0.000 1.085 56 L CA 0.786 55.523 54.840 -0.173 0.000 0.755 56 L CB -0.505 41.399 42.059 -0.258 0.000 0.904 56 L HN 0.371 nan 8.230 nan 0.000 0.435 57 L N -0.277 120.867 121.223 -0.131 0.000 1.989 57 L HA -0.289 4.051 4.340 -0.000 0.000 0.211 57 L C 2.475 179.294 176.870 -0.085 0.000 1.071 57 L CA 1.733 56.516 54.840 -0.094 0.000 0.749 57 L CB -0.619 41.407 42.059 -0.055 0.000 0.890 57 L HN 0.405 nan 8.230 nan 0.000 0.431 58 N N 0.077 118.727 118.700 -0.083 0.000 2.043 58 N HA -0.220 4.520 4.740 -0.000 0.000 0.193 58 N C 1.525 177.007 175.510 -0.047 0.000 1.037 58 N CA 1.964 54.963 53.050 -0.085 0.000 0.851 58 N CB -0.093 38.381 38.487 -0.022 0.000 1.027 58 N HN 0.443 nan 8.380 nan 0.000 0.422 59 N N -0.093 118.627 118.700 0.034 0.000 2.244 59 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 59 N C 1.895 177.452 175.510 0.078 0.000 1.016 59 N CA 1.340 54.460 53.050 0.117 0.000 0.866 59 N CB -0.040 38.481 38.487 0.057 0.000 0.980 59 N HN 0.299 nan 8.380 nan 0.000 0.430 60 S N 0.115 115.807 115.700 -0.012 0.000 2.428 60 S HA -0.156 4.314 4.470 -0.000 0.000 0.230 60 S C 1.761 176.429 174.600 0.113 0.000 1.014 60 S CA 0.697 58.901 58.200 0.007 0.000 0.957 60 S CB -0.419 62.708 63.200 -0.121 0.000 0.784 60 S HN 0.360 nan 8.310 nan 0.000 0.499 61 H N 1.561 120.570 119.070 -0.100 0.000 2.251 61 H HA -0.133 4.423 4.556 -0.000 0.000 0.294 61 H C 1.697 176.949 175.328 -0.127 0.000 1.078 61 H CA 2.296 58.241 56.048 -0.172 0.000 1.246 61 H CB -1.069 28.435 29.762 -0.430 0.000 1.358 61 H HN 0.448 nan 8.280 nan 0.000 0.488 62 Y N -0.746 119.518 120.300 -0.060 0.000 2.139 62 Y HA -0.302 4.248 4.550 -0.000 0.000 0.282 62 Y C 2.711 178.493 175.900 -0.197 0.000 1.179 62 Y CA 1.680 59.659 58.100 -0.202 0.000 1.161 62 Y CB -1.418 36.997 38.460 -0.074 0.000 0.970 62 Y HN 0.376 nan 8.280 nan 0.000 0.511 63 Y N -0.060 120.239 120.300 -0.003 0.000 2.207 63 Y HA -0.315 4.235 4.550 -0.000 0.000 0.287 63 Y C 2.770 178.647 175.900 -0.039 0.000 1.156 63 Y CA 2.206 60.287 58.100 -0.032 0.000 1.182 63 Y CB -0.630 37.822 38.460 -0.014 0.000 0.979 63 Y HN 0.318 nan 8.280 nan 0.000 0.521 64 H N -0.869 118.122 119.070 -0.132 0.000 2.470 64 H HA -0.022 4.534 4.556 -0.000 0.000 0.289 64 H C 1.927 177.106 175.328 -0.249 0.000 1.033 64 H CA 1.761 57.696 56.048 -0.188 0.000 1.331 64 H CB -0.135 29.609 29.762 -0.031 0.000 1.414 64 H HN 0.368 nan 8.280 nan 0.000 0.545 65 M N -0.654 118.695 119.600 -0.418 0.000 2.193 65 M HA 0.025 4.505 4.480 -0.000 0.000 0.265 65 M C 2.414 178.291 176.300 -0.705 0.000 1.071 65 M CA 1.308 56.296 55.300 -0.521 0.000 1.140 65 M CB 0.058 32.344 32.600 -0.523 0.000 1.369 65 M HN 0.466 nan 8.290 nan 0.000 0.423 66 A N -1.396 120.899 122.820 -0.874 0.000 2.067 66 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 66 A C 1.930 179.264 177.584 -0.417 0.000 1.156 66 A CA 1.128 52.678 52.037 -0.812 0.000 0.683 66 A CB -0.779 17.809 19.000 -0.685 0.000 0.808 66 A HN 0.499 nan 8.150 nan 0.000 0.455 67 H N -0.506 118.229 119.070 -0.558 0.000 2.451 67 H HA 0.135 4.691 4.556 -0.000 0.000 0.294 67 H C 1.433 176.561 175.328 -0.333 0.000 1.028 67 H CA 1.178 56.929 56.048 -0.495 0.000 1.349 67 H CB 0.086 29.363 29.762 -0.807 0.000 1.444 67 H HN 0.433 nan 8.280 nan 0.000 0.538 68 G N 0.153 108.814 108.800 -0.232 0.000 2.714 68 G HA2 0.092 4.052 3.960 -0.000 0.000 0.197 68 G HA3 0.092 4.052 3.960 -0.000 0.000 0.197 68 G C 0.804 175.605 174.900 -0.164 0.000 1.449 68 G CA -0.396 44.585 45.100 -0.199 0.000 1.065 68 G HN 0.156 nan 8.290 nan 0.000 0.575 69 K N -0.386 119.936 120.400 -0.129 0.000 2.366 69 K HA -0.005 4.315 4.320 -0.000 0.000 0.198 69 K C 1.742 178.326 176.600 -0.027 0.000 1.044 69 K CA 0.363 56.615 56.287 -0.057 0.000 0.973 69 K CB 0.081 32.568 32.500 -0.021 0.000 0.767 69 K HN 0.425 nan 8.250 nan 0.000 0.475 70 D N 0.958 121.329 120.400 -0.049 0.000 2.119 70 D HA -0.195 4.445 4.640 -0.000 0.000 0.199 70 D C 1.656 178.053 176.300 0.162 0.000 0.987 70 D CA 1.361 55.391 54.000 0.050 0.000 0.858 70 D CB -0.083 40.744 40.800 0.045 0.000 1.008 70 D HN -0.058 nan 8.370 nan 0.000 0.450 71 F N 1.498 121.396 119.950 -0.086 0.000 2.063 71 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 71 F C 2.625 178.392 175.800 -0.054 0.000 1.105 71 F CA 1.345 59.305 58.000 -0.065 0.000 1.215 71 F CB -1.312 37.644 39.000 -0.074 0.000 0.972 71 F HN 0.091 nan 8.300 nan 0.000 0.483 72 A N -0.442 122.463 122.820 0.143 0.000 1.997 72 A HA -0.259 4.061 4.320 -0.000 0.000 0.221 72 A C 2.280 179.873 177.584 0.015 0.000 1.172 72 A CA 2.343 54.408 52.037 0.046 0.000 0.645 72 A CB -1.202 17.808 19.000 0.017 0.000 0.813 72 A HN 0.459 nan 8.150 nan 0.000 0.454 73 S N -1.037 114.675 115.700 0.020 0.000 2.561 73 S HA 0.027 4.497 4.470 -0.000 0.000 0.225 73 S C 1.431 176.025 174.600 -0.010 0.000 0.977 73 S CA 0.470 58.675 58.200 0.008 0.000 0.926 73 S CB -0.232 62.979 63.200 0.018 0.000 0.769 73 S HN 0.629 nan 8.310 nan 0.000 0.533 74 R N 0.559 121.039 120.500 -0.034 0.000 2.359 74 R HA 0.303 4.643 4.340 -0.000 0.000 0.231 74 R C 1.193 177.441 176.300 -0.086 0.000 0.913 74 R CA 0.343 56.397 56.100 -0.076 0.000 1.075 74 R CB 0.045 30.253 30.300 -0.153 0.000 1.087 74 R HN 0.529 nan 8.270 nan 0.000 0.515 75 G N 1.778 110.542 108.800 -0.059 0.000 2.137 75 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.237 75 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.237 75 G C 0.128 174.988 174.900 -0.066 0.000 1.002 75 G CA -0.252 44.817 45.100 -0.053 0.000 0.702 75 G HN 0.314 nan 8.290 nan 0.000 0.515 76 I N 1.868 122.393 120.570 -0.076 0.000 2.578 76 I HA 0.210 4.380 4.170 -0.000 0.000 0.284 76 I C 0.246 176.368 176.117 0.009 0.000 1.156 76 I CA -0.740 60.520 61.300 -0.066 0.000 1.165 76 I CB 0.390 38.281 38.000 -0.181 0.000 1.567 76 I HN 0.071 nan 8.210 nan 0.000 0.546 77 E N 5.862 126.061 120.200 -0.003 0.000 2.413 77 E HA 0.245 4.595 4.350 -0.000 0.000 0.263 77 E C -0.376 176.230 176.600 0.010 0.000 1.015 77 E CA 0.455 56.857 56.400 0.002 0.000 0.916 77 E CB 1.175 30.870 29.700 -0.008 0.000 0.947 77 E HN 0.459 nan 8.360 nan 0.000 0.440 78 M N 1.192 120.794 119.600 0.002 0.000 2.446 78 M HA 0.136 4.616 4.480 -0.000 0.000 0.294 78 M C 1.091 177.378 176.300 -0.022 0.000 1.158 78 M CA -0.642 54.657 55.300 -0.002 0.000 0.899 78 M CB 2.255 34.857 32.600 0.004 0.000 1.687 78 M HN 0.429 nan 8.290 nan 0.000 0.455 79 S N 1.195 116.886 115.700 -0.016 0.000 2.404 79 S HA -0.051 4.419 4.470 -0.000 0.000 0.216 79 S C 0.278 174.858 174.600 -0.033 0.000 1.039 79 S CA 1.407 59.596 58.200 -0.019 0.000 1.062 79 S CB 0.233 63.428 63.200 -0.010 0.000 1.046 79 S HN 0.742 nan 8.310 nan 0.000 0.415 80 E N -0.856 119.325 120.200 -0.031 0.000 2.390 80 E HA 0.514 4.864 4.350 -0.000 0.000 0.277 80 E C -2.035 174.540 176.600 -0.041 0.000 0.939 80 E CA -0.654 55.716 56.400 -0.050 0.000 0.769 80 E CB 2.013 31.696 29.700 -0.027 0.000 1.251 80 E HN 0.134 nan 8.360 nan 0.000 0.450 81 V N 3.767 123.635 119.914 -0.078 0.000 2.378 81 V HA 0.536 4.656 4.120 -0.000 0.000 0.288 81 V C -0.215 175.968 176.094 0.149 0.000 1.016 81 V CA -0.795 61.496 62.300 -0.016 0.000 0.840 81 V CB 1.185 32.932 31.823 -0.127 0.000 0.994 81 V HN 0.543 nan 8.190 nan 0.000 0.431 82 R N 3.402 124.014 120.500 0.186 0.000 2.589 82 R HA 0.544 4.884 4.340 -0.000 0.000 0.293 82 R C -0.654 175.808 176.300 0.270 0.000 0.963 82 R CA -0.785 55.449 56.100 0.223 0.000 0.905 82 R CB 2.262 32.633 30.300 0.117 0.000 1.144 82 R HN 0.521 nan 8.270 nan 0.000 0.459 83 L N 1.818 123.172 121.223 0.218 0.000 2.479 83 L HA 0.352 4.692 4.340 -0.000 0.000 0.249 83 L C -0.201 176.670 176.870 0.002 0.000 1.178 83 L CA 0.150 54.990 54.840 -0.001 0.000 0.811 83 L CB 0.832 42.773 42.059 -0.197 0.000 1.187 83 L HN 0.623 nan 8.230 nan 0.000 0.480 84 N N 1.578 120.251 118.700 -0.045 0.000 3.111 84 N HA 0.059 4.799 4.740 -0.000 0.000 0.200 84 N C 0.469 175.963 175.510 -0.028 0.000 1.464 84 N CA -0.215 52.825 53.050 -0.016 0.000 0.758 84 N CB -0.012 38.478 38.487 0.004 0.000 1.548 84 N HN 0.619 nan 8.380 nan 0.000 0.595 85 L N 0.521 121.730 121.223 -0.022 0.000 2.081 85 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 85 L C 0.978 177.853 176.870 0.008 0.000 1.080 85 L CA 1.825 56.665 54.840 0.001 0.000 0.754 85 L CB -0.013 42.076 42.059 0.049 0.000 0.893 85 L HN 0.437 nan 8.230 nan 0.000 0.433 86 D N -0.542 119.862 120.400 0.007 0.000 2.084 86 D HA -0.227 4.413 4.640 -0.000 0.000 0.194 86 D C 2.109 178.410 176.300 0.002 0.000 0.990 86 D CA 1.071 55.075 54.000 0.007 0.000 0.826 86 D CB -0.051 40.752 40.800 0.005 0.000 0.971 86 D HN 0.003 nan 8.370 nan 0.000 0.453 87 K N 0.245 120.644 120.400 -0.001 0.000 2.148 87 K HA -0.002 4.318 4.320 -0.000 0.000 0.204 87 K C 1.832 178.428 176.600 -0.006 0.000 1.050 87 K CA 0.867 57.153 56.287 -0.002 0.000 0.942 87 K CB -0.212 32.289 32.500 0.001 0.000 0.724 87 K HN 0.163 nan 8.250 nan 0.000 0.446 88 M N -0.713 118.879 119.600 -0.014 0.000 2.236 88 M HA -0.059 4.421 4.480 -0.000 0.000 0.266 88 M C 1.453 177.739 176.300 -0.023 0.000 1.070 88 M CA 1.173 56.458 55.300 -0.025 0.000 1.137 88 M CB 0.081 32.647 32.600 -0.057 0.000 1.378 88 M HN 0.115 nan 8.290 nan 0.000 0.426 89 M N -0.517 119.078 119.600 -0.009 0.000 2.319 89 M HA -0.148 4.332 4.480 -0.000 0.000 0.265 89 M C 1.811 178.110 176.300 -0.003 0.000 1.068 89 M CA 1.298 56.598 55.300 0.001 0.000 1.118 89 M CB -1.171 31.445 32.600 0.026 0.000 1.395 89 M HN 0.421 nan 8.290 nan 0.000 0.435 90 E N 1.217 121.415 120.200 -0.003 0.000 2.006 90 E HA -0.291 4.059 4.350 -0.000 0.000 0.192 90 E C 1.910 178.504 176.600 -0.010 0.000 0.993 90 E CA 1.804 58.201 56.400 -0.006 0.000 0.808 90 E CB -0.129 29.569 29.700 -0.005 0.000 0.764 90 E HN 0.470 nan 8.360 nan 0.000 0.449 91 Q N 1.491 121.286 119.800 -0.009 0.000 2.268 91 Q HA -0.281 4.059 4.340 -0.000 0.000 0.213 91 Q C 1.914 177.905 176.000 -0.014 0.000 0.995 91 Q CA 2.644 58.441 55.803 -0.009 0.000 0.901 91 Q CB -0.323 28.413 28.738 -0.004 0.000 0.921 91 Q HN 0.233 nan 8.270 nan 0.000 0.421 92 K N -0.339 120.050 120.400 -0.018 0.000 1.991 92 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 92 K C 2.055 178.642 176.600 -0.022 0.000 1.045 92 K CA 1.585 57.858 56.287 -0.024 0.000 0.937 92 K CB -0.275 32.209 32.500 -0.027 0.000 0.720 92 K HN 0.427 nan 8.250 nan 0.000 0.438 93 S N -0.025 115.665 115.700 -0.017 0.000 2.481 93 S HA -0.059 4.411 4.470 -0.000 0.000 0.231 93 S C 1.852 176.439 174.600 -0.021 0.000 0.996 93 S CA 1.280 59.470 58.200 -0.017 0.000 0.942 93 S CB -0.251 62.943 63.200 -0.011 0.000 0.768 93 S HN 0.299 nan 8.310 nan 0.000 0.520 94 T N 2.694 117.236 114.554 -0.020 0.000 2.777 94 T HA 0.096 4.446 4.350 -0.000 0.000 0.266 94 T C 2.236 176.920 174.700 -0.028 0.000 1.040 94 T CA 1.257 63.343 62.100 -0.023 0.000 1.141 94 T CB -0.658 68.198 68.868 -0.019 0.000 0.868 94 T HN 0.593 nan 8.240 nan 0.000 0.444 95 A N 0.965 123.769 122.820 -0.028 0.000 1.940 95 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 95 A C 2.544 180.103 177.584 -0.041 0.000 1.176 95 A CA 1.469 53.486 52.037 -0.033 0.000 0.631 95 A CB -1.010 17.971 19.000 -0.032 0.000 0.814 95 A HN 0.366 nan 8.150 nan 0.000 0.446 96 V N -0.019 119.872 119.914 -0.039 0.000 2.261 96 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 96 V C 2.519 178.581 176.094 -0.053 0.000 1.047 96 V CA 2.400 64.672 62.300 -0.046 0.000 1.015 96 V CB -0.668 31.132 31.823 -0.038 0.000 0.642 96 V HN 0.658 nan 8.190 nan 0.000 0.446 97 K N -0.009 120.364 120.400 -0.046 0.000 2.057 97 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 97 K C 2.212 178.778 176.600 -0.056 0.000 1.049 97 K CA 1.425 57.683 56.287 -0.049 0.000 0.931 97 K CB -0.375 32.103 32.500 -0.037 0.000 0.714 97 K HN 0.432 nan 8.250 nan 0.000 0.440 98 A N 1.376 124.166 122.820 -0.051 0.000 1.849 98 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 98 A C 2.101 179.644 177.584 -0.068 0.000 1.202 98 A CA 1.882 53.886 52.037 -0.055 0.000 0.629 98 A CB -0.955 18.017 19.000 -0.046 0.000 0.834 98 A HN 0.319 nan 8.150 nan 0.000 0.447 99 L N -0.025 121.156 121.223 -0.070 0.000 2.079 99 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 99 L C 2.928 179.719 176.870 -0.131 0.000 1.081 99 L CA 1.880 56.667 54.840 -0.088 0.000 0.752 99 L CB -1.148 40.865 42.059 -0.076 0.000 0.896 99 L HN 0.689 nan 8.230 nan 0.000 0.433 100 T N -3.139 111.341 114.554 -0.124 0.000 2.857 100 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 100 T C 2.009 176.610 174.700 -0.165 0.000 1.048 100 T CA 0.868 62.871 62.100 -0.162 0.000 1.139 100 T CB -0.880 67.913 68.868 -0.124 0.000 0.874 100 T HN 0.365 nan 8.240 nan 0.000 0.455 101 G N 1.477 110.211 108.800 -0.111 0.000 2.421 101 G HA2 0.078 4.038 3.960 -0.000 0.000 0.216 101 G HA3 0.078 4.038 3.960 -0.000 0.000 0.216 101 G C 1.739 176.592 174.900 -0.079 0.000 1.171 101 G CA 0.767 45.817 45.100 -0.083 0.000 0.775 101 G HN 0.681 nan 8.290 nan 0.000 0.543 102 G N 1.404 110.151 108.800 -0.088 0.000 2.732 102 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.222 102 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.222 102 G C 1.761 176.590 174.900 -0.118 0.000 1.203 102 G CA 1.294 46.350 45.100 -0.073 0.000 0.780 102 G HN 0.450 nan 8.290 nan 0.000 0.621 103 I N 1.541 121.931 120.570 -0.299 0.000 2.315 103 I HA -0.094 4.076 4.170 -0.000 0.000 0.248 103 I C 3.264 179.061 176.117 -0.533 0.000 1.117 103 I CA 0.934 61.910 61.300 -0.539 0.000 1.404 103 I CB -0.244 37.221 38.000 -0.891 0.000 1.071 103 I HN 0.283 nan 8.210 nan 0.000 0.419 104 A N 0.297 122.901 122.820 -0.359 0.000 1.865 104 A HA -0.345 3.975 4.320 -0.000 0.000 0.217 104 A C 2.234 179.800 177.584 -0.029 0.000 1.191 104 A CA 2.363 54.275 52.037 -0.208 0.000 0.623 104 A CB -1.096 17.857 19.000 -0.078 0.000 0.826 104 A HN 0.515 nan 8.150 nan 0.000 0.444 105 H N -0.318 118.709 119.070 -0.071 0.000 2.387 105 H HA -0.019 4.537 4.556 -0.000 0.000 0.299 105 H C 1.725 177.074 175.328 0.035 0.000 1.099 105 H CA 1.911 57.953 56.048 -0.009 0.000 1.315 105 H CB -0.243 29.503 29.762 -0.027 0.000 1.380 105 H HN 0.385 nan 8.280 nan 0.000 0.513 106 L N -1.212 119.989 121.223 -0.036 0.000 2.109 106 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 106 L C 1.965 178.933 176.870 0.162 0.000 1.086 106 L CA 0.522 55.376 54.840 0.022 0.000 0.760 106 L CB -0.380 41.730 42.059 0.085 0.000 0.910 106 L HN 0.248 nan 8.230 nan 0.000 0.437 107 F N 0.773 120.679 119.950 -0.074 0.000 2.161 107 F HA -0.244 4.283 4.527 -0.000 0.000 0.300 107 F C 2.563 178.330 175.800 -0.055 0.000 1.089 107 F CA 1.296 59.271 58.000 -0.041 0.000 1.282 107 F CB -0.646 38.337 39.000 -0.030 0.000 1.010 107 F HN 0.003 nan 8.300 nan 0.000 0.485 108 K N 1.131 121.594 120.400 0.105 0.000 2.002 108 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 108 K C 2.112 178.675 176.600 -0.062 0.000 1.048 108 K CA 2.034 58.319 56.287 -0.003 0.000 0.930 108 K CB -0.815 31.643 32.500 -0.071 0.000 0.714 108 K HN 0.510 nan 8.250 nan 0.000 0.438 109 Q N -0.534 119.182 119.800 -0.140 0.000 2.137 109 Q HA -0.029 4.311 4.340 -0.000 0.000 0.198 109 Q C 1.137 177.111 176.000 -0.043 0.000 0.960 109 Q CA 1.290 57.028 55.803 -0.107 0.000 0.847 109 Q CB -0.331 28.319 28.738 -0.146 0.000 0.915 109 Q HN 0.222 nan 8.270 nan 0.000 0.448 110 N N 1.117 119.806 118.700 -0.018 0.000 2.521 110 N HA -0.010 4.730 4.740 -0.000 0.000 0.188 110 N C -0.496 174.996 175.510 -0.030 0.000 1.146 110 N CA 0.503 53.547 53.050 -0.010 0.000 0.893 110 N CB 0.176 38.672 38.487 0.016 0.000 0.975 110 N HN 0.262 nan 8.380 nan 0.000 0.451 111 K N -0.098 120.284 120.400 -0.030 0.000 3.125 111 K HA -0.120 4.200 4.320 -0.000 0.000 0.268 111 K C -1.007 175.549 176.600 -0.074 0.000 1.078 111 K CA 0.132 56.398 56.287 -0.036 0.000 0.775 111 K CB -1.536 30.949 32.500 -0.026 0.000 1.253 111 K HN -0.040 nan 8.250 nan 0.000 0.486 112 V N 1.359 121.190 119.914 -0.139 0.000 2.432 112 V HA 0.148 4.268 4.120 -0.000 0.000 0.271 112 V C 0.701 176.689 176.094 -0.177 0.000 1.046 112 V CA -0.750 61.372 62.300 -0.297 0.000 0.945 112 V CB 1.580 32.915 31.823 -0.812 0.000 0.992 112 V HN 0.066 nan 8.190 nan 0.000 0.471 113 V N 5.542 125.387 119.914 -0.114 0.000 2.405 113 V HA 0.141 4.261 4.120 -0.000 0.000 0.264 113 V C 0.140 176.259 176.094 0.042 0.000 1.048 113 V CA -0.326 61.963 62.300 -0.018 0.000 0.966 113 V CB 0.385 32.199 31.823 -0.016 0.000 1.015 113 V HN 0.913 nan 8.190 nan 0.000 0.477 114 H N 5.403 124.489 119.070 0.028 0.000 2.552 114 H HA 0.565 5.121 4.556 -0.000 0.000 0.311 114 H C -0.978 174.399 175.328 0.081 0.000 1.071 114 H CA -0.925 55.195 56.048 0.120 0.000 1.307 114 H CB 1.474 31.402 29.762 0.277 0.000 1.416 114 H HN 0.327 nan 8.280 nan 0.000 0.464 115 V N 6.366 126.427 119.914 0.245 0.000 2.407 115 V HA 0.151 4.271 4.120 -0.000 0.000 0.291 115 V C 0.130 176.267 176.094 0.073 0.000 1.018 115 V CA -1.001 61.308 62.300 0.014 0.000 0.842 115 V CB 0.970 32.825 31.823 0.053 0.000 0.996 115 V HN 0.863 nan 8.190 nan 0.000 0.426 116 N N 3.633 122.279 118.700 -0.090 0.000 2.499 116 N HA 0.705 5.445 4.740 -0.000 0.000 0.281 116 N C 0.033 175.593 175.510 0.083 0.000 1.098 116 N CA 1.221 54.318 53.050 0.078 0.000 0.979 116 N CB 1.401 39.894 38.487 0.010 0.000 1.121 116 N HN 1.070 nan 8.380 nan 0.000 0.466 117 G N 1.278 110.151 108.800 0.123 0.000 2.361 117 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.331 117 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.331 117 G C -2.147 172.856 174.900 0.171 0.000 1.324 117 G CA -1.005 44.176 45.100 0.135 0.000 0.984 117 G HN 0.483 nan 8.290 nan 0.000 0.586 118 Y N 1.785 122.126 120.300 0.067 0.000 2.477 118 Y HA 0.551 5.101 4.550 -0.000 0.000 0.349 118 Y C 0.932 176.870 175.900 0.063 0.000 0.977 118 Y CA 0.236 58.382 58.100 0.077 0.000 1.214 118 Y CB 0.841 39.347 38.460 0.077 0.000 1.124 118 Y HN 0.874 nan 8.280 nan 0.000 0.521 119 G N 5.623 114.475 108.800 0.087 0.000 2.390 119 G HA2 0.402 4.362 3.960 -0.000 0.000 0.270 119 G HA3 0.402 4.362 3.960 -0.000 0.000 0.270 119 G C -1.289 173.686 174.900 0.125 0.000 1.211 119 G CA -0.717 44.438 45.100 0.092 0.000 0.842 119 G HN 0.660 nan 8.290 nan 0.000 0.519 120 K N 2.221 122.700 120.400 0.131 0.000 2.501 120 K HA 0.421 4.741 4.320 -0.000 0.000 0.252 120 K C -0.666 175.972 176.600 0.065 0.000 0.934 120 K CA -0.915 55.441 56.287 0.115 0.000 0.797 120 K CB 1.685 34.271 32.500 0.143 0.000 1.270 120 K HN 0.365 nan 8.250 nan 0.000 0.431 121 I N 4.625 125.222 120.570 0.045 0.000 2.505 121 I HA 0.005 4.175 4.170 -0.000 0.000 0.287 121 I C 1.062 177.195 176.117 0.027 0.000 1.104 121 I CA 0.025 61.344 61.300 0.030 0.000 1.387 121 I CB 1.068 39.081 38.000 0.022 0.000 1.404 121 I HN 0.851 nan 8.210 nan 0.000 0.528 122 T N 1.212 115.781 114.554 0.025 0.000 3.069 122 T HA 0.426 4.776 4.350 -0.000 0.000 0.252 122 T C 0.525 175.235 174.700 0.016 0.000 1.053 122 T CA -0.121 61.992 62.100 0.021 0.000 0.964 122 T CB 0.451 69.333 68.868 0.023 0.000 1.005 122 T HN 0.753 nan 8.240 nan 0.000 0.532 123 G N 1.206 110.015 108.800 0.015 0.000 2.466 123 G HA2 0.402 4.362 3.960 -0.000 0.000 0.291 123 G HA3 0.402 4.362 3.960 -0.000 0.000 0.291 123 G C -0.057 174.851 174.900 0.012 0.000 1.460 123 G CA -0.562 44.545 45.100 0.012 0.000 0.791 123 G HN -0.024 nan 8.290 nan 0.000 0.505 124 K N -0.045 120.361 120.400 0.010 0.000 2.281 124 K HA -0.073 4.247 4.320 -0.000 0.000 0.203 124 K C 0.630 177.240 176.600 0.016 0.000 1.046 124 K CA 1.278 57.572 56.287 0.011 0.000 0.938 124 K CB -0.096 32.408 32.500 0.006 0.000 0.737 124 K HN 0.443 nan 8.250 nan 0.000 0.458 125 N N 0.622 119.332 118.700 0.016 0.000 2.365 125 N HA 0.019 4.759 4.740 -0.000 0.000 0.257 125 N C -0.747 174.774 175.510 0.017 0.000 1.287 125 N CA -0.051 53.010 53.050 0.018 0.000 0.882 125 N CB 1.093 39.591 38.487 0.019 0.000 1.250 125 N HN 0.365 nan 8.380 nan 0.000 0.507 126 Q N 0.905 120.715 119.800 0.017 0.000 2.284 126 Q HA 0.367 4.707 4.340 -0.000 0.000 0.269 126 Q C -2.024 173.988 176.000 0.021 0.000 1.026 126 Q CA -0.447 55.366 55.803 0.018 0.000 0.831 126 Q CB 2.255 31.003 28.738 0.017 0.000 1.322 126 Q HN -0.154 nan 8.270 nan 0.000 0.419 127 V N 2.918 122.845 119.914 0.022 0.000 2.495 127 V HA 0.522 4.642 4.120 -0.000 0.000 0.298 127 V C -0.451 175.663 176.094 0.033 0.000 1.031 127 V CA -0.397 61.920 62.300 0.028 0.000 0.871 127 V CB 2.052 33.890 31.823 0.024 0.000 0.988 127 V HN 0.874 nan 8.190 nan 0.000 0.432 128 T N 4.274 118.854 114.554 0.043 0.000 2.797 128 T HA 0.699 5.049 4.350 -0.000 0.000 0.279 128 T C -0.119 174.622 174.700 0.069 0.000 0.991 128 T CA -0.271 61.857 62.100 0.047 0.000 0.979 128 T CB 1.488 70.382 68.868 0.043 0.000 0.943 128 T HN 0.885 nan 8.240 nan 0.000 0.444 129 A N 2.891 125.752 122.820 0.067 0.000 2.287 129 A HA 0.685 5.005 4.320 -0.000 0.000 0.317 129 A C 0.467 178.103 177.584 0.086 0.000 1.220 129 A CA -0.854 51.239 52.037 0.092 0.000 0.835 129 A CB 0.442 19.490 19.000 0.079 0.000 1.180 129 A HN 0.796 nan 8.150 nan 0.000 0.500 130 T N 0.308 114.927 114.554 0.110 0.000 2.767 130 T HA 0.547 4.897 4.350 -0.000 0.000 0.288 130 T C -0.000 174.752 174.700 0.088 0.000 0.963 130 T CA -0.685 61.462 62.100 0.078 0.000 1.019 130 T CB 0.958 69.858 68.868 0.052 0.000 0.923 130 T HN 0.623 nan 8.240 nan 0.000 0.468 131 K N 2.365 122.801 120.400 0.060 0.000 2.132 131 K HA 0.609 4.929 4.320 -0.000 0.000 0.240 131 K C 1.219 177.851 176.600 0.053 0.000 1.036 131 K CA 0.157 56.477 56.287 0.056 0.000 0.888 131 K CB -0.079 32.441 32.500 0.032 0.000 1.071 131 K HN 0.675 nan 8.250 nan 0.000 0.502 132 A N 1.030 123.880 122.820 0.050 0.000 2.218 132 A HA 0.017 4.337 4.320 -0.000 0.000 0.209 132 A C 0.340 177.940 177.584 0.026 0.000 1.168 132 A CA 1.037 53.099 52.037 0.043 0.000 0.804 132 A CB -0.741 18.288 19.000 0.048 0.000 0.834 132 A HN 0.812 nan 8.150 nan 0.000 0.482 133 D N -2.261 118.152 120.400 0.022 0.000 2.519 133 D HA 0.365 5.005 4.640 -0.000 0.000 0.238 133 D C 1.142 177.450 176.300 0.012 0.000 1.192 133 D CA 0.640 54.648 54.000 0.014 0.000 0.835 133 D CB -0.301 40.506 40.800 0.011 0.000 0.975 133 D HN 0.397 nan 8.370 nan 0.000 0.490 134 G N -0.357 108.451 108.800 0.014 0.000 2.609 134 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.235 134 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.235 134 G C 0.839 175.748 174.900 0.014 0.000 1.177 134 G CA -0.062 45.044 45.100 0.010 0.000 0.707 134 G HN 0.890 nan 8.290 nan 0.000 0.513 135 G N 1.169 109.978 108.800 0.014 0.000 2.305 135 G HA2 0.535 4.495 3.960 -0.000 0.000 0.243 135 G HA3 0.535 4.495 3.960 -0.000 0.000 0.243 135 G C 0.477 175.389 174.900 0.021 0.000 1.288 135 G CA 1.556 46.665 45.100 0.015 0.000 0.901 135 G HN 1.551 nan 8.290 nan 0.000 0.516 136 T N -0.540 114.026 114.554 0.019 0.000 2.925 136 T HA 0.617 4.967 4.350 -0.000 0.000 0.285 136 T C -0.372 174.341 174.700 0.021 0.000 1.021 136 T CA -0.823 61.292 62.100 0.025 0.000 1.042 136 T CB 2.117 70.999 68.868 0.024 0.000 1.037 136 T HN 0.573 nan 8.240 nan 0.000 0.481 137 Q N 2.153 121.969 119.800 0.026 0.000 2.290 137 Q HA 0.560 4.900 4.340 -0.000 0.000 0.269 137 Q C -1.583 174.432 176.000 0.025 0.000 1.016 137 Q CA -0.665 55.151 55.803 0.021 0.000 0.754 137 Q CB 1.603 30.353 28.738 0.020 0.000 1.247 137 Q HN 0.723 nan 8.270 nan 0.000 0.451 138 V N 5.428 125.354 119.914 0.020 0.000 2.686 138 V HA 0.495 4.615 4.120 -0.000 0.000 0.295 138 V C 0.097 176.202 176.094 0.018 0.000 1.057 138 V CA -0.335 61.977 62.300 0.020 0.000 1.012 138 V CB 1.212 33.044 31.823 0.017 0.000 1.006 138 V HN 0.779 nan 8.190 nan 0.000 0.477 139 I N 2.888 123.469 120.570 0.019 0.000 2.468 139 I HA 0.360 4.530 4.170 -0.000 0.000 0.285 139 I C -0.851 175.275 176.117 0.014 0.000 1.039 139 I CA -0.418 60.891 61.300 0.015 0.000 1.074 139 I CB 1.915 39.924 38.000 0.015 0.000 1.228 139 I HN 0.507 nan 8.210 nan 0.000 0.436 140 D N 4.797 125.205 120.400 0.013 0.000 2.396 140 D HA 0.217 4.857 4.640 -0.000 0.000 0.225 140 D C -0.386 175.922 176.300 0.014 0.000 1.121 140 D CA 0.291 54.299 54.000 0.014 0.000 0.853 140 D CB 2.063 42.871 40.800 0.014 0.000 1.043 140 D HN 0.373 nan 8.370 nan 0.000 0.500 141 T N 1.672 116.234 114.554 0.013 0.000 2.824 141 T HA 0.155 4.505 4.350 -0.000 0.000 0.282 141 T C 1.006 175.714 174.700 0.013 0.000 0.993 141 T CA -0.581 61.524 62.100 0.008 0.000 0.967 141 T CB 1.922 70.789 68.868 -0.002 0.000 0.960 141 T HN 0.118 nan 8.240 nan 0.000 0.441 142 K N 3.559 123.969 120.400 0.016 0.000 2.026 142 K HA 0.071 4.391 4.320 -0.000 0.000 0.208 142 K C 0.270 176.884 176.600 0.023 0.000 1.048 142 K CA 1.523 57.826 56.287 0.027 0.000 0.929 142 K CB 0.074 32.602 32.500 0.046 0.000 0.713 142 K HN 0.647 nan 8.250 nan 0.000 0.439 143 N N -1.118 117.576 118.700 -0.011 0.000 2.381 143 N HA 0.425 5.165 4.740 -0.000 0.000 0.294 143 N C -1.370 174.135 175.510 -0.009 0.000 1.216 143 N CA -0.772 52.283 53.050 0.007 0.000 0.803 143 N CB 2.444 40.886 38.487 -0.076 0.000 1.372 143 N HN 0.152 nan 8.380 nan 0.000 0.500 144 I N -0.143 120.457 120.570 0.050 0.000 2.571 144 I HA 0.509 4.679 4.170 -0.000 0.000 0.289 144 I C -1.995 174.159 176.117 0.063 0.000 1.115 144 I CA -0.937 60.379 61.300 0.026 0.000 1.045 144 I CB 1.413 39.430 38.000 0.028 0.000 1.238 144 I HN 0.388 nan 8.210 nan 0.000 0.424 145 L N 8.348 129.571 121.223 -0.001 0.000 2.287 145 L HA 0.601 4.941 4.340 -0.000 0.000 0.287 145 L C -1.049 175.831 176.870 0.015 0.000 1.022 145 L CA -0.213 54.629 54.840 0.003 0.000 0.814 145 L CB 1.341 43.343 42.059 -0.096 0.000 1.217 145 L HN 0.555 nan 8.230 nan 0.000 0.420 146 I N 5.677 126.275 120.570 0.047 0.000 2.301 146 I HA 0.416 4.586 4.170 -0.000 0.000 0.292 146 I C 0.473 176.606 176.117 0.027 0.000 1.046 146 I CA -0.028 61.292 61.300 0.033 0.000 1.282 146 I CB 1.402 39.425 38.000 0.039 0.000 1.409 146 I HN 0.808 nan 8.210 nan 0.000 0.484 147 A N 3.823 126.654 122.820 0.018 0.000 2.956 147 A HA 0.230 4.550 4.320 -0.000 0.000 0.294 147 A C 1.191 178.799 177.584 0.040 0.000 0.993 147 A CA -0.343 51.706 52.037 0.019 0.000 1.032 147 A CB -0.499 18.504 19.000 0.004 0.000 1.129 147 A HN 0.742 nan 8.150 nan 0.000 0.505 148 T N -3.162 111.426 114.554 0.057 0.000 3.035 148 T HA 0.381 4.731 4.350 -0.000 0.000 0.268 148 T C 1.468 176.266 174.700 0.164 0.000 1.109 148 T CA 1.076 63.245 62.100 0.115 0.000 1.119 148 T CB -0.285 68.661 68.868 0.130 0.000 0.900 148 T HN 1.912 nan 8.240 nan 0.000 0.503 149 G N 1.545 110.413 108.800 0.114 0.000 2.512 149 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.254 149 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.254 149 G C 0.003 174.984 174.900 0.134 0.000 1.199 149 G CA 0.142 45.301 45.100 0.099 0.000 0.941 149 G HN 1.438 nan 8.290 nan 0.000 0.569 150 S N -0.514 115.239 115.700 0.089 0.000 2.811 150 S HA 0.889 5.359 4.470 -0.000 0.000 0.311 150 S C -0.611 174.009 174.600 0.034 0.000 1.152 150 S CA 0.407 58.662 58.200 0.090 0.000 0.864 150 S CB 2.445 65.679 63.200 0.056 0.000 1.226 150 S HN 1.992 nan 8.310 nan 0.000 0.541 151 E N -1.079 119.145 120.200 0.040 0.000 2.401 151 E HA 0.537 4.887 4.350 -0.000 0.000 0.280 151 E C -1.645 174.975 176.600 0.033 0.000 1.039 151 E CA -1.304 55.096 56.400 -0.001 0.000 0.814 151 E CB 1.003 30.707 29.700 0.008 0.000 1.275 151 E HN 0.420 nan 8.360 nan 0.000 0.448 152 V N 1.663 121.592 119.914 0.024 0.000 2.655 152 V HA 0.138 4.258 4.120 -0.000 0.000 0.300 152 V C 0.278 176.406 176.094 0.056 0.000 1.044 152 V CA 0.026 62.353 62.300 0.044 0.000 1.095 152 V CB 0.927 32.776 31.823 0.043 0.000 0.952 152 V HN 0.746 nan 8.190 nan 0.000 0.485 153 T N 7.949 122.540 114.554 0.062 0.000 2.851 153 T HA 0.266 4.616 4.350 -0.000 0.000 0.298 153 T C -1.889 172.855 174.700 0.073 0.000 0.977 153 T CA -0.374 61.761 62.100 0.058 0.000 1.126 153 T CB 0.926 69.823 68.868 0.048 0.000 0.916 153 T HN 0.661 nan 8.240 nan 0.000 0.529 154 P HA 0.366 nan 4.420 nan 0.000 0.279 154 P C -1.002 176.377 177.300 0.132 0.000 1.252 154 P CA -0.747 62.413 63.100 0.099 0.000 0.811 154 P CB 0.734 32.480 31.700 0.076 0.000 1.035 155 F N 2.716 122.673 119.950 0.012 0.000 2.410 155 F HA 0.411 4.938 4.527 -0.000 0.000 0.349 155 F C -2.156 173.647 175.800 0.006 0.000 1.117 155 F CA -3.121 54.884 58.000 0.008 0.000 1.104 155 F CB 0.444 39.451 39.000 0.012 0.000 1.122 155 F HN 0.125 nan 8.300 nan 0.000 0.483 156 P HA 0.152 nan 4.420 nan 0.000 0.253 156 P C 0.567 177.979 177.300 0.187 0.000 1.170 156 P CA 1.700 64.769 63.100 -0.051 0.000 0.806 156 P CB 0.063 31.594 31.700 -0.283 0.000 0.775 157 G N 3.034 111.941 108.800 0.178 0.000 2.317 157 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.227 157 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.227 157 G C 0.160 175.159 174.900 0.166 0.000 1.042 157 G CA -0.390 44.816 45.100 0.176 0.000 0.623 157 G HN 0.472 nan 8.290 nan 0.000 0.509 158 I N 2.229 122.941 120.570 0.238 0.000 2.519 158 I HA 0.514 4.683 4.170 -0.000 0.000 0.287 158 I C 0.271 176.438 176.117 0.082 0.000 1.047 158 I CA 0.212 61.560 61.300 0.079 0.000 1.381 158 I CB 1.785 39.731 38.000 -0.089 0.000 1.417 158 I HN 0.055 nan 8.210 nan 0.000 0.540 159 T N 6.703 121.278 114.554 0.035 0.000 2.815 159 T HA 0.525 4.875 4.350 -0.000 0.000 0.289 159 T C 0.032 174.739 174.700 0.012 0.000 1.000 159 T CA -0.447 61.672 62.100 0.032 0.000 0.958 159 T CB 0.390 69.273 68.868 0.026 0.000 0.944 159 T HN 0.225 nan 8.240 nan 0.000 0.442 160 I N 3.767 124.348 120.570 0.019 0.000 2.618 160 I HA 0.130 4.300 4.170 -0.000 0.000 0.284 160 I C 0.772 176.890 176.117 0.003 0.000 1.146 160 I CA 0.029 61.334 61.300 0.007 0.000 1.425 160 I CB 0.560 38.570 38.000 0.017 0.000 1.383 160 I HN 0.717 nan 8.210 nan 0.000 0.562 161 D N 4.028 124.423 120.400 -0.008 0.000 2.520 161 D HA -0.030 4.610 4.640 -0.000 0.000 0.223 161 D C 0.239 176.530 176.300 -0.014 0.000 1.186 161 D CA -0.197 53.797 54.000 -0.010 0.000 0.821 161 D CB 0.164 40.956 40.800 -0.014 0.000 1.072 161 D HN 0.393 nan 8.370 nan 0.000 0.518 162 E N 0.355 120.545 120.200 -0.016 0.000 2.269 162 E HA -0.241 4.109 4.350 -0.000 0.000 0.223 162 E C -0.125 176.456 176.600 -0.032 0.000 1.244 162 E CA 1.380 57.768 56.400 -0.020 0.000 0.713 162 E CB -1.318 28.375 29.700 -0.011 0.000 1.178 162 E HN 0.671 nan 8.360 nan 0.000 0.370 163 D N -1.854 118.521 120.400 -0.043 0.000 2.971 163 D HA 0.030 4.670 4.640 -0.000 0.000 0.221 163 D C 1.390 177.644 176.300 -0.075 0.000 1.406 163 D CA 1.566 55.533 54.000 -0.054 0.000 1.328 163 D CB -0.017 40.757 40.800 -0.043 0.000 1.369 163 D HN 0.092 nan 8.370 nan 0.000 0.364 164 T N -1.270 113.242 114.554 -0.070 0.000 2.964 164 T HA 0.335 4.685 4.350 -0.000 0.000 0.249 164 T C 0.847 175.498 174.700 -0.080 0.000 1.000 164 T CA -0.130 61.920 62.100 -0.084 0.000 0.992 164 T CB 0.851 69.675 68.868 -0.073 0.000 1.087 164 T HN 0.127 nan 8.240 nan 0.000 0.489 165 I N 4.820 125.353 120.570 -0.062 0.000 2.395 165 I HA 0.387 4.557 4.170 -0.000 0.000 0.282 165 I C 0.402 176.492 176.117 -0.044 0.000 1.107 165 I CA -1.026 60.240 61.300 -0.056 0.000 1.210 165 I CB 0.212 38.185 38.000 -0.046 0.000 1.456 165 I HN 0.125 nan 8.210 nan 0.000 0.504 166 V N 2.932 122.816 119.914 -0.051 0.000 2.904 166 V HA 0.718 4.838 4.120 -0.000 0.000 0.305 166 V C 0.585 176.674 176.094 -0.009 0.000 1.067 166 V CA -0.289 61.991 62.300 -0.033 0.000 1.044 166 V CB 1.621 33.414 31.823 -0.050 0.000 1.050 166 V HN 0.705 nan 8.190 nan 0.000 0.475 167 S N 1.615 117.320 115.700 0.009 0.000 2.767 167 S HA 0.416 4.886 4.470 -0.000 0.000 0.300 167 S C 1.546 176.172 174.600 0.043 0.000 1.123 167 S CA 0.152 58.369 58.200 0.029 0.000 0.992 167 S CB 1.179 64.397 63.200 0.031 0.000 1.138 167 S HN 2.021 nan 8.310 nan 0.000 0.550 168 S N 0.758 116.493 115.700 0.058 0.000 2.380 168 S HA -0.271 4.199 4.470 -0.000 0.000 0.229 168 S C 2.100 176.741 174.600 0.069 0.000 1.050 168 S CA 2.911 61.155 58.200 0.074 0.000 1.100 168 S CB -2.194 61.049 63.200 0.071 0.000 0.984 168 S HN 1.277 nan 8.310 nan 0.000 0.434 169 T N -0.064 114.517 114.554 0.046 0.000 2.788 169 T HA 0.041 4.391 4.350 -0.000 0.000 0.268 169 T C 1.964 176.690 174.700 0.043 0.000 1.044 169 T CA 1.981 64.103 62.100 0.037 0.000 1.139 169 T CB -1.353 67.525 68.868 0.016 0.000 0.867 169 T HN 0.615 nan 8.240 nan 0.000 0.454 170 G N 0.638 109.458 108.800 0.034 0.000 2.418 170 G HA2 0.061 4.021 3.960 -0.000 0.000 0.217 170 G HA3 0.061 4.021 3.960 -0.000 0.000 0.217 170 G C 1.982 176.906 174.900 0.041 0.000 1.158 170 G CA 0.832 45.944 45.100 0.021 0.000 0.771 170 G HN 0.747 nan 8.290 nan 0.000 0.545 171 A N 0.191 123.057 122.820 0.076 0.000 2.019 171 A HA 0.128 4.448 4.320 -0.000 0.000 0.219 171 A C 2.064 179.853 177.584 0.341 0.000 1.164 171 A CA 0.954 53.082 52.037 0.151 0.000 0.644 171 A CB -0.229 18.895 19.000 0.206 0.000 0.805 171 A HN 0.293 nan 8.150 nan 0.000 0.449 172 L N -0.207 121.156 121.223 0.233 0.000 2.610 172 L HA 0.124 4.464 4.340 -0.000 0.000 0.232 172 L C 0.726 177.719 176.870 0.207 0.000 1.149 172 L CA 1.149 56.121 54.840 0.220 0.000 0.872 172 L CB -0.454 41.666 42.059 0.102 0.000 0.992 172 L HN 0.267 nan 8.230 nan 0.000 0.447 173 S N -0.866 114.941 115.700 0.178 0.000 2.977 173 S HA 0.245 4.715 4.470 -0.000 0.000 0.250 173 S C 0.048 174.693 174.600 0.075 0.000 1.005 173 S CA -0.671 57.602 58.200 0.121 0.000 1.081 173 S CB 0.538 63.773 63.200 0.057 0.000 1.018 173 S HN -0.054 nan 8.310 nan 0.000 0.539 174 L N 2.427 123.690 121.223 0.067 0.000 2.573 174 L HA 0.098 4.438 4.340 -0.000 0.000 0.290 174 L C 1.496 178.323 176.870 -0.071 0.000 1.247 174 L CA 0.639 55.385 54.840 -0.158 0.000 0.876 174 L CB 0.306 41.967 42.059 -0.664 0.000 1.123 174 L HN 0.027 nan 8.230 nan 0.000 0.505 175 K N 2.381 122.720 120.400 -0.101 0.000 2.296 175 K HA 0.044 4.364 4.320 -0.000 0.000 0.200 175 K C 0.312 176.880 176.600 -0.053 0.000 1.048 175 K CA 0.762 57.017 56.287 -0.053 0.000 0.966 175 K CB -0.009 32.459 32.500 -0.053 0.000 0.754 175 K HN 0.655 nan 8.250 nan 0.000 0.466 176 K N -1.119 119.212 120.400 -0.115 0.000 2.575 176 K HA 0.163 4.483 4.320 -0.000 0.000 0.279 176 K C -0.956 175.541 176.600 -0.171 0.000 0.969 176 K CA -0.607 55.627 56.287 -0.088 0.000 0.868 176 K CB 1.298 33.757 32.500 -0.069 0.000 1.457 176 K HN -0.280 nan 8.250 nan 0.000 0.426 177 V N 3.468 123.336 119.914 -0.077 0.000 2.529 177 V HA 0.146 4.266 4.120 -0.000 0.000 0.292 177 V C -1.811 174.188 176.094 -0.159 0.000 1.028 177 V CA -0.810 61.441 62.300 -0.083 0.000 1.074 177 V CB 0.322 32.174 31.823 0.049 0.000 0.958 177 V HN 0.651 nan 8.190 nan 0.000 0.481 178 P HA 0.144 nan 4.420 nan 0.000 0.276 178 P C 0.650 177.873 177.300 -0.128 0.000 1.235 178 P CA -0.211 62.762 63.100 -0.211 0.000 0.772 178 P CB 1.072 32.593 31.700 -0.297 0.000 0.871 179 E N 3.365 123.507 120.200 -0.097 0.000 2.049 179 E HA -0.171 4.179 4.350 -0.000 0.000 0.198 179 E C -0.042 176.514 176.600 -0.074 0.000 1.007 179 E CA 1.281 57.640 56.400 -0.068 0.000 0.809 179 E CB 0.180 29.846 29.700 -0.056 0.000 0.749 179 E HN 0.406 nan 8.360 nan 0.000 0.450 180 K N 0.153 120.500 120.400 -0.088 0.000 2.427 180 K HA 0.399 4.719 4.320 -0.000 0.000 0.252 180 K C -1.120 175.411 176.600 -0.115 0.000 0.931 180 K CA -0.580 55.653 56.287 -0.091 0.000 0.793 180 K CB 2.056 34.511 32.500 -0.075 0.000 1.211 180 K HN 0.039 nan 8.250 nan 0.000 0.426 181 M N 3.175 122.701 119.600 -0.124 0.000 2.327 181 M HA 0.364 4.844 4.480 -0.000 0.000 0.298 181 M C -1.771 174.460 176.300 -0.114 0.000 1.065 181 M CA -0.808 54.412 55.300 -0.133 0.000 0.916 181 M CB 1.765 34.275 32.600 -0.150 0.000 1.630 181 M HN 0.293 nan 8.290 nan 0.000 0.442 182 V N 5.305 125.163 119.914 -0.093 0.000 2.435 182 V HA 0.541 4.661 4.120 -0.000 0.000 0.290 182 V C -0.760 175.306 176.094 -0.047 0.000 1.030 182 V CA -0.642 61.617 62.300 -0.068 0.000 0.881 182 V CB 1.866 33.652 31.823 -0.062 0.000 0.983 182 V HN 0.692 nan 8.190 nan 0.000 0.445 183 V N 6.606 126.515 119.914 -0.008 0.000 2.357 183 V HA 0.458 4.578 4.120 -0.000 0.000 0.284 183 V C -0.030 176.098 176.094 0.057 0.000 1.018 183 V CA -0.417 61.906 62.300 0.039 0.000 0.841 183 V CB 1.561 33.447 31.823 0.106 0.000 0.991 183 V HN 0.649 nan 8.190 nan 0.000 0.437 184 I N 4.780 125.370 120.570 0.033 0.000 2.301 184 I HA 0.632 4.802 4.170 -0.000 0.000 0.292 184 I C 0.835 177.015 176.117 0.105 0.000 1.046 184 I CA 0.140 61.466 61.300 0.044 0.000 1.282 184 I CB 0.964 38.935 38.000 -0.049 0.000 1.409 184 I HN 0.883 nan 8.210 nan 0.000 0.484 185 G N 4.613 113.494 108.800 0.135 0.000 3.448 185 G HA2 0.081 4.041 3.960 -0.000 0.000 0.685 185 G HA3 0.081 4.041 3.960 -0.000 0.000 0.685 185 G C -0.261 174.728 174.900 0.149 0.000 1.151 185 G CA -0.348 44.837 45.100 0.142 0.000 1.023 185 G HN 0.917 nan 8.290 nan 0.000 0.499 186 A N 1.880 124.782 122.820 0.137 0.000 2.842 186 A HA 0.769 5.089 4.320 -0.000 0.000 0.298 186 A C 1.467 179.107 177.584 0.093 0.000 1.293 186 A CA 1.131 53.256 52.037 0.148 0.000 0.959 186 A CB -0.227 18.859 19.000 0.142 0.000 1.119 186 A HN 2.028 nan 8.150 nan 0.000 0.564 187 G N -0.902 107.964 108.800 0.110 0.000 2.504 187 G HA2 0.339 4.299 3.960 -0.000 0.000 0.257 187 G HA3 0.339 4.299 3.960 -0.000 0.000 0.257 187 G C 1.055 176.052 174.900 0.161 0.000 1.451 187 G CA 0.416 45.584 45.100 0.113 0.000 1.059 187 G HN 0.164 nan 8.290 nan 0.000 0.550 188 V N 0.034 120.053 119.914 0.175 0.000 2.302 188 V HA -0.077 4.043 4.120 -0.000 0.000 0.243 188 V C 2.855 179.061 176.094 0.187 0.000 1.036 188 V CA 1.278 63.698 62.300 0.199 0.000 1.020 188 V CB -0.771 31.164 31.823 0.187 0.000 0.657 188 V HN 0.544 nan 8.190 nan 0.000 0.453 189 I N 1.203 121.868 120.570 0.158 0.000 2.248 189 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 189 I C 2.496 178.713 176.117 0.168 0.000 1.107 189 I CA 1.848 63.237 61.300 0.148 0.000 1.373 189 I CB -0.742 37.330 38.000 0.120 0.000 1.055 189 I HN 0.436 nan 8.210 nan 0.000 0.418 190 G N 0.221 109.128 108.800 0.179 0.000 2.403 190 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.216 190 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.216 190 G C 1.639 176.710 174.900 0.285 0.000 1.154 190 G CA 0.963 46.189 45.100 0.210 0.000 0.784 190 G HN 0.348 nan 8.290 nan 0.000 0.538 191 V N -0.504 119.578 119.914 0.281 0.000 2.453 191 V HA -0.022 4.098 4.120 -0.000 0.000 0.247 191 V C 2.337 178.655 176.094 0.372 0.000 1.048 191 V CA 1.753 64.258 62.300 0.341 0.000 1.049 191 V CB -0.685 31.276 31.823 0.231 0.000 0.672 191 V HN 0.339 nan 8.190 nan 0.000 0.457 192 E N 0.325 120.691 120.200 0.276 0.000 2.031 192 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 192 E C 2.210 178.910 176.600 0.167 0.000 0.994 192 E CA 1.440 57.973 56.400 0.221 0.000 0.800 192 E CB -0.201 29.613 29.700 0.190 0.000 0.752 192 E HN 0.344 nan 8.360 nan 0.000 0.447 193 L N 0.344 121.666 121.223 0.164 0.000 2.017 193 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 193 L C 2.402 179.352 176.870 0.132 0.000 1.073 193 L CA 2.062 56.980 54.840 0.130 0.000 0.745 193 L CB -1.406 40.763 42.059 0.184 0.000 0.894 193 L HN 0.189 nan 8.230 nan 0.000 0.432 194 G N -2.275 106.635 108.800 0.183 0.000 2.432 194 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 194 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 194 G C 1.832 176.623 174.900 -0.182 0.000 1.135 194 G CA 0.970 46.044 45.100 -0.044 0.000 0.767 194 G HN 0.406 nan 8.290 nan 0.000 0.550 195 S N -0.472 115.293 115.700 0.109 0.000 2.370 195 S HA -0.113 4.357 4.470 -0.000 0.000 0.226 195 S C 2.566 177.124 174.600 -0.069 0.000 1.033 195 S CA 1.205 59.456 58.200 0.085 0.000 1.011 195 S CB -0.202 63.116 63.200 0.196 0.000 0.852 195 S HN 0.199 nan 8.310 nan 0.000 0.457 196 V N 0.013 119.837 119.914 -0.150 0.000 2.237 196 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 196 V C 1.900 177.764 176.094 -0.383 0.000 1.046 196 V CA 1.785 63.872 62.300 -0.355 0.000 1.007 196 V CB -0.897 30.537 31.823 -0.648 0.000 0.638 196 V HN 0.633 nan 8.190 nan 0.000 0.445 197 W N -0.452 120.784 121.300 -0.106 0.000 2.338 197 W HA -0.195 4.465 4.660 -0.000 0.000 0.304 197 W C 2.732 179.154 176.519 -0.161 0.000 1.212 197 W CA 1.205 58.470 57.345 -0.133 0.000 1.264 197 W CB -0.378 29.001 29.460 -0.135 0.000 1.142 197 W HN 0.162 nan 8.180 nan 0.000 0.512 198 Q N 0.988 120.764 119.800 -0.041 0.000 2.181 198 Q HA -0.193 4.147 4.340 -0.000 0.000 0.205 198 Q C 2.055 178.010 176.000 -0.076 0.000 0.980 198 Q CA 1.550 57.276 55.803 -0.129 0.000 0.862 198 Q CB -0.238 28.320 28.738 -0.300 0.000 0.905 198 Q HN 0.379 nan 8.270 nan 0.000 0.429 199 R N -0.653 119.801 120.500 -0.077 0.000 2.093 199 R HA -0.024 4.316 4.340 -0.000 0.000 0.224 199 R C 1.943 178.284 176.300 0.067 0.000 1.101 199 R CA 0.372 56.441 56.100 -0.051 0.000 0.979 199 R CB 0.063 30.329 30.300 -0.058 0.000 0.877 199 R HN 0.145 nan 8.270 nan 0.000 0.441 200 L N -0.443 120.776 121.223 -0.006 0.000 2.622 200 L HA 0.090 4.430 4.340 -0.000 0.000 0.233 200 L C 1.294 178.174 176.870 0.016 0.000 1.156 200 L CA 1.471 56.273 54.840 -0.064 0.000 0.866 200 L CB -0.084 41.915 42.059 -0.100 0.000 0.980 200 L HN 0.516 nan 8.230 nan 0.000 0.448 201 G N -2.326 106.498 108.800 0.041 0.000 2.205 201 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.180 201 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.180 201 G C 0.540 175.447 174.900 0.012 0.000 1.004 201 G CA -0.051 45.066 45.100 0.027 0.000 0.670 201 G HN 0.612 nan 8.290 nan 0.000 0.496 202 A N 0.108 122.937 122.820 0.015 0.000 2.332 202 A HA 0.587 4.907 4.320 -0.000 0.000 0.258 202 A C 0.092 177.635 177.584 -0.067 0.000 1.087 202 A CA 0.674 52.697 52.037 -0.024 0.000 0.802 202 A CB 0.497 19.491 19.000 -0.010 0.000 1.042 202 A HN 0.635 nan 8.150 nan 0.000 0.489 203 D N 0.894 121.246 120.400 -0.080 0.000 2.428 203 D HA 0.426 5.066 4.640 -0.000 0.000 0.221 203 D C -0.830 175.386 176.300 -0.139 0.000 1.123 203 D CA -0.041 53.903 54.000 -0.093 0.000 0.869 203 D CB 0.555 41.317 40.800 -0.063 0.000 1.032 203 D HN 0.167 nan 8.370 nan 0.000 0.506 204 V N 3.636 123.417 119.914 -0.221 0.000 2.483 204 V HA 0.541 4.661 4.120 -0.000 0.000 0.295 204 V C 0.412 176.322 176.094 -0.307 0.000 1.035 204 V CA -0.519 61.587 62.300 -0.324 0.000 0.896 204 V CB 1.874 33.336 31.823 -0.602 0.000 0.986 204 V HN 0.605 nan 8.190 nan 0.000 0.447 205 T N 3.496 117.930 114.554 -0.200 0.000 2.876 205 T HA 0.747 5.097 4.350 -0.000 0.000 0.289 205 T C -0.432 174.247 174.700 -0.036 0.000 1.014 205 T CA -0.378 61.652 62.100 -0.116 0.000 0.986 205 T CB 1.775 70.601 68.868 -0.070 0.000 1.021 205 T HN 0.928 nan 8.240 nan 0.000 0.458 206 A N 2.342 125.156 122.820 -0.011 0.000 2.331 206 A HA 0.760 5.079 4.320 -0.000 0.000 0.320 206 A C -0.714 176.948 177.584 0.131 0.000 1.138 206 A CA -0.614 51.487 52.037 0.106 0.000 0.790 206 A CB 1.012 20.132 19.000 0.200 0.000 1.206 206 A HN 0.661 nan 8.150 nan 0.000 0.470 207 V N 2.711 122.697 119.914 0.120 0.000 2.328 207 V HA 0.434 4.554 4.120 -0.000 0.000 0.278 207 V C -0.236 175.942 176.094 0.139 0.000 1.021 207 V CA -0.289 62.079 62.300 0.114 0.000 0.838 207 V CB 1.019 32.885 31.823 0.072 0.000 0.999 207 V HN 0.975 nan 8.190 nan 0.000 0.447 208 E N 3.086 123.369 120.200 0.138 0.000 2.199 208 E HA 0.374 4.724 4.350 -0.000 0.000 0.269 208 E C 0.196 176.875 176.600 0.131 0.000 0.899 208 E CA -0.636 55.844 56.400 0.133 0.000 0.772 208 E CB 1.438 31.183 29.700 0.075 0.000 1.155 208 E HN 0.379 nan 8.360 nan 0.000 0.408 209 F N 4.266 124.248 119.950 0.053 0.000 2.102 209 F HA 0.061 4.588 4.527 -0.000 0.000 0.298 209 F C 0.431 176.251 175.800 0.033 0.000 1.105 209 F CA 1.146 59.176 58.000 0.050 0.000 1.239 209 F CB 0.126 39.161 39.000 0.058 0.000 0.991 209 F HN 0.431 nan 8.300 nan 0.000 0.474 210 L N -0.722 120.569 121.223 0.113 0.000 2.482 210 L HA 0.258 4.598 4.340 -0.000 0.000 0.242 210 L C 1.362 178.207 176.870 -0.042 0.000 1.210 210 L CA 0.125 54.983 54.840 0.030 0.000 0.819 210 L CB -0.182 41.934 42.059 0.095 0.000 1.203 210 L HN 0.094 nan 8.230 nan 0.000 0.495 211 G N -0.703 108.106 108.800 0.015 0.000 4.222 211 G HA2 0.251 4.211 3.960 -0.000 0.000 0.301 211 G HA3 0.251 4.211 3.960 -0.000 0.000 0.301 211 G C -0.257 174.683 174.900 0.067 0.000 1.171 211 G CA -0.056 45.047 45.100 0.004 0.000 0.937 211 G HN 0.718 nan 8.290 nan 0.000 0.557 212 H N -1.873 117.154 119.070 -0.072 0.000 3.012 212 H HA 0.609 5.165 4.556 -0.000 0.000 0.367 212 H C -1.197 174.059 175.328 -0.120 0.000 1.211 212 H CA -0.927 55.056 56.048 -0.108 0.000 1.139 212 H CB 1.425 31.133 29.762 -0.091 0.000 1.838 212 H HN 0.193 nan 8.280 nan 0.000 0.550 213 V N -0.221 119.559 119.914 -0.225 0.000 2.837 213 V HA 0.859 4.979 4.120 -0.000 0.000 0.310 213 V C 0.616 176.690 176.094 -0.033 0.000 1.059 213 V CA 0.570 62.713 62.300 -0.262 0.000 1.004 213 V CB 0.627 32.128 31.823 -0.537 0.000 1.045 213 V HN 1.606 nan 8.190 nan 0.000 0.465 214 G N 1.841 110.669 108.800 0.047 0.000 2.612 214 G HA2 0.347 4.307 3.960 -0.000 0.000 0.686 214 G HA3 0.347 4.307 3.960 -0.000 0.000 0.686 214 G C 0.157 175.141 174.900 0.140 0.000 1.274 214 G CA -0.100 45.115 45.100 0.191 0.000 0.849 214 G HN 1.796 nan 8.290 nan 0.000 0.595 215 G N -1.015 107.933 108.800 0.247 0.000 2.679 215 G HA2 0.634 4.594 3.960 -0.000 0.000 0.158 215 G HA3 0.634 4.594 3.960 -0.000 0.000 0.158 215 G C 0.762 175.803 174.900 0.235 0.000 1.702 215 G CA 1.818 47.057 45.100 0.233 0.000 1.041 215 G HN 2.031 nan 8.290 nan 0.000 0.507 216 V N -3.206 116.859 119.914 0.252 0.000 2.919 216 V HA 0.773 4.893 4.120 -0.000 0.000 0.316 216 V C 1.296 177.507 176.094 0.194 0.000 1.077 216 V CA 0.060 62.492 62.300 0.220 0.000 0.977 216 V CB 0.587 32.511 31.823 0.169 0.000 1.039 216 V HN 2.049 nan 8.190 nan 0.000 0.441 217 G N 1.416 110.263 108.800 0.078 0.000 2.189 217 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.267 217 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.267 217 G C 0.062 174.834 174.900 -0.213 0.000 0.975 217 G CA 0.590 45.721 45.100 0.051 0.000 0.644 217 G HN 1.176 nan 8.290 nan 0.000 0.537 218 I N 1.069 121.411 120.570 -0.381 0.000 2.575 218 I HA 0.419 4.589 4.170 -0.000 0.000 0.285 218 I C 0.440 176.194 176.117 -0.606 0.000 1.085 218 I CA -0.435 60.303 61.300 -0.936 0.000 1.403 218 I CB 0.613 38.215 38.000 -0.665 0.000 1.409 218 I HN 0.158 nan 8.210 nan 0.000 0.557 219 D N 6.203 126.208 120.400 -0.658 0.000 2.383 219 D HA 0.038 4.678 4.640 -0.000 0.000 0.252 219 D C 1.069 177.144 176.300 -0.375 0.000 1.166 219 D CA -0.124 53.566 54.000 -0.517 0.000 0.879 219 D CB 0.943 41.310 40.800 -0.723 0.000 1.164 219 D HN 0.464 nan 8.370 nan 0.000 0.462 220 M N 2.354 121.760 119.600 -0.323 0.000 2.213 220 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 220 M C 1.736 177.931 176.300 -0.175 0.000 1.062 220 M CA 1.315 56.463 55.300 -0.254 0.000 1.105 220 M CB -0.632 31.825 32.600 -0.239 0.000 1.385 220 M HN 0.684 nan 8.290 nan 0.000 0.417 221 E N 1.066 121.156 120.200 -0.184 0.000 2.047 221 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 221 E C 1.937 178.475 176.600 -0.103 0.000 0.987 221 E CA 1.388 57.711 56.400 -0.129 0.000 0.799 221 E CB -0.125 29.503 29.700 -0.121 0.000 0.752 221 E HN 0.641 nan 8.360 nan 0.000 0.449 222 I N -1.225 119.264 120.570 -0.135 0.000 2.353 222 I HA -0.105 4.065 4.170 -0.000 0.000 0.248 222 I C 2.551 178.661 176.117 -0.012 0.000 1.119 222 I CA 1.107 62.364 61.300 -0.072 0.000 1.417 222 I CB -0.486 37.459 38.000 -0.091 0.000 1.078 222 I HN -0.027 nan 8.210 nan 0.000 0.421 223 S N 1.207 116.875 115.700 -0.054 0.000 2.387 223 S HA -0.179 4.291 4.470 -0.000 0.000 0.230 223 S C 2.100 176.709 174.600 0.015 0.000 1.035 223 S CA 1.498 59.714 58.200 0.026 0.000 1.014 223 S CB -0.238 62.954 63.200 -0.015 0.000 0.836 223 S HN 0.429 nan 8.310 nan 0.000 0.466 224 K N 1.191 121.573 120.400 -0.030 0.000 2.044 224 K HA 0.088 4.408 4.320 -0.000 0.000 0.204 224 K C 1.943 178.527 176.600 -0.027 0.000 1.049 224 K CA 1.282 57.538 56.287 -0.052 0.000 0.945 224 K CB -0.888 31.581 32.500 -0.052 0.000 0.724 224 K HN 0.562 nan 8.250 nan 0.000 0.440 225 N N 0.326 119.032 118.700 0.011 0.000 2.188 225 N HA -0.146 4.594 4.740 -0.000 0.000 0.184 225 N C 1.735 177.310 175.510 0.110 0.000 1.018 225 N CA 0.469 53.542 53.050 0.038 0.000 0.858 225 N CB -0.182 38.324 38.487 0.032 0.000 0.989 225 N HN -0.005 nan 8.380 nan 0.000 0.426 226 F N 2.659 122.567 119.950 -0.069 0.000 2.046 226 F HA -0.236 4.291 4.527 -0.000 0.000 0.297 226 F C 2.643 178.376 175.800 -0.113 0.000 1.123 226 F CA 1.610 59.566 58.000 -0.072 0.000 1.199 226 F CB -0.914 38.038 39.000 -0.080 0.000 0.972 226 F HN 0.044 nan 8.300 nan 0.000 0.474 227 Q N 0.222 119.866 119.800 -0.261 0.000 2.096 227 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 227 Q C 2.528 178.354 176.000 -0.291 0.000 0.982 227 Q CA 1.914 57.389 55.803 -0.547 0.000 0.850 227 Q CB -0.434 27.955 28.738 -0.581 0.000 0.901 227 Q HN 0.486 nan 8.270 nan 0.000 0.422 228 R N 0.057 120.478 120.500 -0.132 0.000 2.120 228 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 228 R C 2.147 178.446 176.300 -0.003 0.000 1.123 228 R CA 1.340 57.414 56.100 -0.044 0.000 0.975 228 R CB -0.148 30.142 30.300 -0.017 0.000 0.866 228 R HN 0.394 nan 8.270 nan 0.000 0.446 229 I N 0.586 121.157 120.570 0.001 0.000 2.286 229 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 229 I C 1.993 178.138 176.117 0.046 0.000 1.104 229 I CA 0.896 62.224 61.300 0.048 0.000 1.397 229 I CB -0.132 37.928 38.000 0.100 0.000 1.072 229 I HN 0.202 nan 8.210 nan 0.000 0.417 230 L N 0.133 121.336 121.223 -0.034 0.000 2.131 230 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 230 L C 2.548 179.517 176.870 0.165 0.000 1.092 230 L CA 1.359 56.222 54.840 0.040 0.000 0.759 230 L CB -0.596 41.401 42.059 -0.104 0.000 0.903 230 L HN 0.359 nan 8.230 nan 0.000 0.435 231 Q N 0.084 119.970 119.800 0.143 0.000 2.083 231 Q HA -0.168 4.172 4.340 -0.000 0.000 0.198 231 Q C 2.090 178.159 176.000 0.114 0.000 0.969 231 Q CA 1.083 56.984 55.803 0.164 0.000 0.838 231 Q CB -0.004 28.823 28.738 0.148 0.000 0.900 231 Q HN 0.399 nan 8.270 nan 0.000 0.436 232 K N 0.595 121.050 120.400 0.091 0.000 2.360 232 K HA -0.184 4.136 4.320 -0.000 0.000 0.201 232 K C 1.808 178.468 176.600 0.100 0.000 1.046 232 K CA 0.900 57.239 56.287 0.086 0.000 0.940 232 K CB 0.066 32.614 32.500 0.080 0.000 0.748 232 K HN 0.183 nan 8.250 nan 0.000 0.465 233 Q N -1.405 118.461 119.800 0.110 0.000 2.398 233 Q HA 0.015 4.355 4.340 -0.000 0.000 0.204 233 Q C 0.938 176.989 176.000 0.084 0.000 0.932 233 Q CA 0.711 56.577 55.803 0.104 0.000 0.916 233 Q CB 0.771 29.570 28.738 0.103 0.000 1.024 233 Q HN 0.480 nan 8.270 nan 0.000 0.504 234 G N -0.058 108.799 108.800 0.095 0.000 2.284 234 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.201 234 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.201 234 G C -0.276 174.667 174.900 0.072 0.000 0.998 234 G CA -0.357 44.781 45.100 0.063 0.000 0.651 234 G HN 0.273 nan 8.290 nan 0.000 0.489 235 F N 3.258 123.165 119.950 -0.071 0.000 2.506 235 F HA 0.643 5.170 4.527 -0.000 0.000 0.371 235 F C 0.603 176.214 175.800 -0.314 0.000 1.078 235 F CA -0.707 57.166 58.000 -0.210 0.000 1.195 235 F CB 0.645 39.543 39.000 -0.170 0.000 1.099 235 F HN 0.021 nan 8.300 nan 0.000 0.548 236 K N 5.949 126.352 120.400 0.005 0.000 2.182 236 K HA 0.544 4.864 4.320 -0.000 0.000 0.262 236 K C -1.379 174.992 176.600 -0.383 0.000 0.957 236 K CA -0.338 55.891 56.287 -0.097 0.000 0.842 236 K CB 1.371 33.849 32.500 -0.037 0.000 1.099 236 K HN 0.362 nan 8.250 nan 0.000 0.438 237 F N 1.177 121.167 119.950 0.067 0.000 2.546 237 F HA 0.466 4.993 4.527 -0.000 0.000 0.320 237 F C 0.134 175.940 175.800 0.010 0.000 1.076 237 F CA -0.986 57.025 58.000 0.018 0.000 0.928 237 F CB 1.711 40.667 39.000 -0.073 0.000 1.189 237 F HN 0.010 nan 8.300 nan 0.000 0.465 238 K N 4.153 124.677 120.400 0.206 0.000 2.646 238 K HA 0.430 4.750 4.320 -0.000 0.000 0.210 238 K C -1.048 175.613 176.600 0.101 0.000 1.020 238 K CA -0.116 56.238 56.287 0.112 0.000 1.040 238 K CB 1.368 33.911 32.500 0.071 0.000 1.253 238 K HN 0.576 nan 8.250 nan 0.000 0.532 239 L N 0.775 122.041 121.223 0.071 0.000 2.431 239 L HA 0.298 4.638 4.340 -0.000 0.000 0.260 239 L C 0.653 177.507 176.870 -0.027 0.000 1.098 239 L CA -0.566 54.286 54.840 0.020 0.000 0.800 239 L CB 0.248 42.297 42.059 -0.017 0.000 1.210 239 L HN 0.665 nan 8.230 nan 0.000 0.465 240 N N -0.701 117.948 118.700 -0.086 0.000 2.716 240 N HA -0.197 4.543 4.740 -0.000 0.000 0.250 240 N C -0.542 174.873 175.510 -0.158 0.000 1.033 240 N CA 0.935 53.876 53.050 -0.181 0.000 0.727 240 N CB -0.806 37.601 38.487 -0.133 0.000 0.950 240 N HN 0.811 nan 8.380 nan 0.000 0.541 241 T N -2.287 112.215 114.554 -0.087 0.000 2.906 241 T HA 0.707 5.057 4.350 -0.000 0.000 0.295 241 T C -0.881 173.863 174.700 0.073 0.000 1.075 241 T CA -1.028 61.061 62.100 -0.018 0.000 1.005 241 T CB 2.377 71.258 68.868 0.022 0.000 1.136 241 T HN 0.237 nan 8.240 nan 0.000 0.498 242 K N 0.613 121.097 120.400 0.140 0.000 2.378 242 K HA 0.718 5.038 4.320 -0.000 0.000 0.252 242 K C -0.712 176.010 176.600 0.204 0.000 0.931 242 K CA -1.087 55.367 56.287 0.279 0.000 0.794 242 K CB 1.969 34.718 32.500 0.414 0.000 1.181 242 K HN 0.570 nan 8.250 nan 0.000 0.425 243 V N 2.497 122.545 119.914 0.223 0.000 2.530 243 V HA 0.265 4.385 4.120 -0.000 0.000 0.282 243 V C 0.135 176.348 176.094 0.199 0.000 1.048 243 V CA 0.312 62.690 62.300 0.130 0.000 0.997 243 V CB 0.884 32.696 31.823 -0.018 0.000 0.987 243 V HN 1.017 nan 8.190 nan 0.000 0.477 244 T N 2.567 117.197 114.554 0.127 0.000 3.214 244 T HA 0.645 4.995 4.350 -0.000 0.000 0.264 244 T C 0.584 175.352 174.700 0.113 0.000 1.012 244 T CA 0.188 62.370 62.100 0.137 0.000 0.901 244 T CB -0.537 68.386 68.868 0.092 0.000 1.070 244 T HN 1.971 nan 8.240 nan 0.000 0.561 245 G N -0.022 108.830 108.800 0.086 0.000 2.428 245 G HA2 0.492 4.452 3.960 -0.000 0.000 0.681 245 G HA3 0.492 4.452 3.960 -0.000 0.000 0.681 245 G C -0.977 173.907 174.900 -0.026 0.000 1.340 245 G CA -0.583 44.540 45.100 0.038 0.000 0.915 245 G HN 1.008 nan 8.290 nan 0.000 0.645 246 A N -0.027 122.769 122.820 -0.040 0.000 2.539 246 A HA 1.106 5.426 4.320 -0.000 0.000 0.296 246 A C 0.094 177.658 177.584 -0.032 0.000 1.073 246 A CA 0.454 52.460 52.037 -0.053 0.000 0.700 246 A CB 1.986 20.929 19.000 -0.094 0.000 1.296 246 A HN 2.385 nan 8.150 nan 0.000 0.405 247 T N -0.886 113.651 114.554 -0.029 0.000 2.883 247 T HA 0.595 4.945 4.350 -0.000 0.000 0.296 247 T C -0.783 173.901 174.700 -0.027 0.000 1.117 247 T CA -0.928 61.160 62.100 -0.021 0.000 1.006 247 T CB 1.547 70.408 68.868 -0.012 0.000 1.191 247 T HN 0.475 nan 8.240 nan 0.000 0.508 248 K N 2.231 122.617 120.400 -0.023 0.000 2.231 248 K HA 0.210 4.530 4.320 -0.000 0.000 0.275 248 K C 0.169 176.755 176.600 -0.023 0.000 1.105 248 K CA -0.689 55.582 56.287 -0.026 0.000 0.931 248 K CB 0.520 33.006 32.500 -0.024 0.000 1.296 248 K HN 0.385 nan 8.250 nan 0.000 0.446 249 K N 0.921 121.306 120.400 -0.024 0.000 2.455 249 K HA -0.047 4.273 4.320 -0.000 0.000 0.269 249 K C 1.126 177.714 176.600 -0.020 0.000 0.972 249 K CA 0.146 56.421 56.287 -0.021 0.000 0.938 249 K CB 0.627 33.114 32.500 -0.022 0.000 0.931 249 K HN 0.390 nan 8.250 nan 0.000 0.507 250 S N 1.350 117.040 115.700 -0.017 0.000 2.370 250 S HA -0.151 4.319 4.470 -0.000 0.000 0.226 250 S C 1.163 175.752 174.600 -0.018 0.000 1.033 250 S CA 1.744 59.935 58.200 -0.016 0.000 1.011 250 S CB -0.210 62.983 63.200 -0.013 0.000 0.852 250 S HN 0.729 nan 8.310 nan 0.000 0.457 251 D N -0.236 120.153 120.400 -0.019 0.000 2.390 251 D HA 0.051 4.691 4.640 -0.000 0.000 0.235 251 D C 1.217 177.501 176.300 -0.027 0.000 1.040 251 D CA 0.949 54.936 54.000 -0.022 0.000 0.923 251 D CB -0.246 40.542 40.800 -0.021 0.000 0.886 251 D HN 0.529 nan 8.370 nan 0.000 0.532 252 G N 0.387 109.170 108.800 -0.029 0.000 2.238 252 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 252 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 252 G C 0.331 175.206 174.900 -0.042 0.000 0.996 252 G CA 0.033 45.112 45.100 -0.034 0.000 0.632 252 G HN 0.440 nan 8.290 nan 0.000 0.503 253 K N 0.425 120.800 120.400 -0.040 0.000 2.117 253 K HA 0.691 5.011 4.320 -0.000 0.000 0.240 253 K C 0.396 176.969 176.600 -0.046 0.000 1.031 253 K CA -0.323 55.936 56.287 -0.047 0.000 0.909 253 K CB 0.810 33.284 32.500 -0.044 0.000 1.097 253 K HN 0.196 nan 8.250 nan 0.000 0.492 254 I N 1.087 121.625 120.570 -0.052 0.000 2.433 254 I HA 0.220 4.390 4.170 -0.000 0.000 0.292 254 I C -0.913 175.175 176.117 -0.048 0.000 1.001 254 I CA -0.729 60.540 61.300 -0.051 0.000 1.119 254 I CB 1.598 39.560 38.000 -0.063 0.000 1.289 254 I HN 0.466 nan 8.210 nan 0.000 0.438 255 D N 4.773 125.148 120.400 -0.041 0.000 2.373 255 D HA 0.336 4.976 4.640 -0.000 0.000 0.227 255 D C -0.424 175.853 176.300 -0.039 0.000 1.091 255 D CA -0.007 53.973 54.000 -0.035 0.000 0.840 255 D CB 1.794 42.579 40.800 -0.025 0.000 1.060 255 D HN 0.385 nan 8.370 nan 0.000 0.502 256 V N 1.653 121.541 119.914 -0.042 0.000 2.394 256 V HA 0.600 4.720 4.120 -0.000 0.000 0.282 256 V C -0.366 175.713 176.094 -0.026 0.000 1.031 256 V CA -0.510 61.762 62.300 -0.047 0.000 0.881 256 V CB 1.500 33.281 31.823 -0.070 0.000 0.982 256 V HN 0.409 nan 8.190 nan 0.000 0.451 257 S N 8.151 123.842 115.700 -0.015 0.000 2.452 257 S HA 0.659 5.129 4.470 -0.000 0.000 0.284 257 S C 0.111 174.721 174.600 0.017 0.000 1.171 257 S CA -0.487 57.715 58.200 0.005 0.000 1.064 257 S CB 0.624 63.833 63.200 0.014 0.000 0.967 257 S HN 0.949 nan 8.310 nan 0.000 0.484 258 I N -0.474 120.110 120.570 0.022 0.000 3.654 258 I HA 0.858 5.028 4.170 -0.000 0.000 0.278 258 I C -0.333 175.810 176.117 0.043 0.000 1.193 258 I CA -1.041 60.283 61.300 0.041 0.000 1.087 258 I CB 1.488 39.508 38.000 0.034 0.000 1.372 258 I HN 0.616 nan 8.210 nan 0.000 0.507 259 E N 0.398 120.627 120.200 0.048 0.000 3.086 259 E HA 0.337 4.687 4.350 -0.000 0.000 0.312 259 E C -1.553 175.069 176.600 0.037 0.000 1.147 259 E CA -0.588 55.836 56.400 0.041 0.000 0.914 259 E CB 1.140 30.870 29.700 0.049 0.000 1.154 259 E HN 1.034 nan 8.360 nan 0.000 0.475 260 A N 2.895 125.724 122.820 0.015 0.000 2.561 260 A HA 0.372 4.692 4.320 -0.000 0.000 0.251 260 A C 1.449 179.017 177.584 -0.026 0.000 1.062 260 A CA 1.038 53.067 52.037 -0.014 0.000 0.761 260 A CB 0.165 19.154 19.000 -0.017 0.000 0.986 260 A HN 0.890 nan 8.150 nan 0.000 0.510 261 A N 3.387 126.148 122.820 -0.099 0.000 1.915 261 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 261 A C 2.330 179.879 177.584 -0.059 0.000 1.198 261 A CA 2.769 54.708 52.037 -0.164 0.000 0.647 261 A CB -1.175 17.422 19.000 -0.672 0.000 0.825 261 A HN 1.266 nan 8.150 nan 0.000 0.456 262 S N -0.394 115.259 115.700 -0.077 0.000 2.272 262 S HA 0.358 4.828 4.470 -0.000 0.000 0.161 262 S C 1.772 176.373 174.600 0.003 0.000 1.293 262 S CA 0.169 58.352 58.200 -0.029 0.000 2.027 262 S CB -1.571 61.605 63.200 -0.042 0.000 0.565 262 S HN 0.963 nan 8.310 nan 0.000 0.364 263 G N 0.982 109.780 108.800 -0.002 0.000 1.956 263 G HA2 0.326 4.286 3.960 -0.000 0.000 0.522 263 G HA3 0.326 4.286 3.960 -0.000 0.000 0.522 263 G C 0.330 175.238 174.900 0.014 0.000 1.379 263 G CA 0.298 45.401 45.100 0.006 0.000 1.070 263 G HN 1.397 nan 8.290 nan 0.000 0.470 264 G N -1.332 107.476 108.800 0.013 0.000 2.965 264 G HA2 0.431 4.391 3.960 -0.000 0.000 0.301 264 G HA3 0.431 4.391 3.960 -0.000 0.000 0.301 264 G C -0.652 174.258 174.900 0.016 0.000 1.878 264 G CA -0.358 44.754 45.100 0.020 0.000 0.828 264 G HN 0.529 nan 8.290 nan 0.000 0.435 265 K N 2.154 122.562 120.400 0.013 0.000 2.403 265 K HA 0.641 4.961 4.320 -0.000 0.000 0.235 265 K C 0.995 177.604 176.600 0.016 0.000 1.142 265 K CA -0.248 56.046 56.287 0.012 0.000 1.114 265 K CB 0.150 32.655 32.500 0.007 0.000 1.777 265 K HN 0.635 nan 8.250 nan 0.000 0.424 266 A N 2.411 125.242 122.820 0.018 0.000 2.616 266 A HA 0.029 4.349 4.320 -0.000 0.000 0.234 266 A C 0.105 177.698 177.584 0.015 0.000 1.024 266 A CA 0.767 52.816 52.037 0.019 0.000 0.758 266 A CB 0.005 19.016 19.000 0.018 0.000 0.939 266 A HN 0.826 nan 8.150 nan 0.000 0.510 267 E N 0.633 120.842 120.200 0.015 0.000 2.432 267 E HA 0.549 4.899 4.350 -0.000 0.000 0.279 267 E C -2.171 174.433 176.600 0.007 0.000 1.099 267 E CA -0.651 55.755 56.400 0.010 0.000 0.859 267 E CB 1.574 31.280 29.700 0.010 0.000 1.402 267 E HN 0.581 nan 8.360 nan 0.000 0.451 268 V N 2.567 122.482 119.914 0.002 0.000 2.569 268 V HA 0.426 4.546 4.120 -0.000 0.000 0.301 268 V C -0.412 175.676 176.094 -0.010 0.000 1.044 268 V CA -0.570 61.727 62.300 -0.004 0.000 0.874 268 V CB 1.409 33.229 31.823 -0.005 0.000 1.002 268 V HN 0.470 nan 8.190 nan 0.000 0.424 269 I N 2.961 123.522 120.570 -0.015 0.000 2.460 269 I HA 0.781 4.951 4.170 -0.000 0.000 0.298 269 I C 0.292 176.390 176.117 -0.031 0.000 0.989 269 I CA -0.516 60.771 61.300 -0.022 0.000 1.173 269 I CB 2.048 40.034 38.000 -0.023 0.000 1.338 269 I HN 0.649 nan 8.210 nan 0.000 0.456 270 T N 2.557 117.091 114.554 -0.034 0.000 2.856 270 T HA 0.774 5.124 4.350 -0.000 0.000 0.283 270 T C -0.361 174.309 174.700 -0.050 0.000 1.008 270 T CA -0.561 61.516 62.100 -0.040 0.000 0.997 270 T CB 1.495 70.343 68.868 -0.034 0.000 0.992 270 T HN 1.007 nan 8.240 nan 0.000 0.454 271 C N 1.443 120.708 119.300 -0.058 0.000 3.323 271 C HA 0.728 5.188 4.460 -0.000 0.000 0.324 271 C C 0.513 175.457 174.990 -0.077 0.000 1.428 271 C CA -0.696 58.279 59.018 -0.071 0.000 1.368 271 C CB 0.751 28.442 27.740 -0.082 0.000 1.731 271 C HN 0.819 nan 8.230 nan 0.000 0.455 272 D N -0.239 120.106 120.400 -0.093 0.000 2.277 272 D HA 0.245 4.885 4.640 -0.000 0.000 0.209 272 D C 0.131 176.362 176.300 -0.116 0.000 0.970 272 D CA 0.975 54.916 54.000 -0.098 0.000 0.874 272 D CB 0.430 41.166 40.800 -0.107 0.000 0.982 272 D HN 0.488 nan 8.370 nan 0.000 0.504 273 V N 1.444 121.278 119.914 -0.134 0.000 2.623 273 V HA 0.363 4.482 4.120 -0.000 0.000 0.304 273 V C -1.177 174.840 176.094 -0.128 0.000 1.054 273 V CA -1.023 61.187 62.300 -0.151 0.000 0.882 273 V CB 2.372 34.063 31.823 -0.221 0.000 1.002 273 V HN -0.066 nan 8.190 nan 0.000 0.424 274 L N 6.353 127.511 121.223 -0.107 0.000 2.305 274 L HA 0.782 5.122 4.340 -0.000 0.000 0.284 274 L C -0.927 175.895 176.870 -0.080 0.000 1.013 274 L CA -0.291 54.493 54.840 -0.093 0.000 0.819 274 L CB 1.401 43.403 42.059 -0.096 0.000 1.227 274 L HN 0.668 nan 8.230 nan 0.000 0.417 275 L N 6.529 127.716 121.223 -0.059 0.000 2.307 275 L HA 0.678 5.018 4.340 -0.000 0.000 0.284 275 L C -1.156 175.709 176.870 -0.008 0.000 1.023 275 L CA -0.295 54.530 54.840 -0.025 0.000 0.810 275 L CB 1.878 43.939 42.059 0.003 0.000 1.231 275 L HN 0.389 nan 8.230 nan 0.000 0.423 276 V N 4.983 124.900 119.914 0.004 0.000 2.350 276 V HA 0.292 4.412 4.120 -0.000 0.000 0.276 276 V C 0.039 176.175 176.094 0.070 0.000 1.028 276 V CA -0.280 62.032 62.300 0.020 0.000 0.860 276 V CB 0.895 32.733 31.823 0.024 0.000 0.990 276 V HN 0.952 nan 8.190 nan 0.000 0.453 277 C N 5.604 124.960 119.300 0.093 0.000 2.814 277 C HA 0.394 4.854 4.460 -0.000 0.000 0.242 277 C C 1.795 176.861 174.990 0.126 0.000 1.704 277 C CA -0.343 58.740 59.018 0.109 0.000 1.608 277 C CB -1.169 26.640 27.740 0.115 0.000 2.939 277 C HN 0.902 nan 8.230 nan 0.000 0.512 278 I N 1.454 122.113 120.570 0.147 0.000 2.361 278 I HA 0.092 4.262 4.170 -0.000 0.000 0.251 278 I C 1.592 177.767 176.117 0.096 0.000 1.133 278 I CA 1.858 63.241 61.300 0.138 0.000 1.413 278 I CB -0.120 37.967 38.000 0.145 0.000 1.073 278 I HN 0.654 nan 8.210 nan 0.000 0.424 279 G N 0.119 108.972 108.800 0.089 0.000 2.369 279 G HA2 0.162 4.122 3.960 -0.000 0.000 0.295 279 G HA3 0.162 4.122 3.960 -0.000 0.000 0.295 279 G C -1.085 173.854 174.900 0.064 0.000 1.298 279 G CA -0.990 44.154 45.100 0.074 0.000 0.940 279 G HN 0.016 nan 8.290 nan 0.000 0.536 280 R N -0.609 119.926 120.500 0.057 0.000 2.923 280 R HA 0.901 5.241 4.340 -0.000 0.000 0.252 280 R C 0.165 176.496 176.300 0.051 0.000 1.130 280 R CA -0.921 55.211 56.100 0.053 0.000 1.043 280 R CB 2.060 32.390 30.300 0.049 0.000 1.205 280 R HN 0.961 nan 8.270 nan 0.000 0.495 281 R N -1.006 119.529 120.500 0.059 0.000 2.716 281 R HA 0.458 4.798 4.340 -0.000 0.000 0.271 281 R C -3.188 173.164 176.300 0.086 0.000 1.028 281 R CA -2.053 54.083 56.100 0.060 0.000 0.883 281 R CB 0.975 31.308 30.300 0.054 0.000 1.250 281 R HN 0.266 nan 8.270 nan 0.000 0.465 282 P HA 0.091 nan 4.420 nan 0.000 0.271 282 P C -1.397 175.997 177.300 0.158 0.000 1.216 282 P CA -0.119 63.041 63.100 0.099 0.000 0.771 282 P CB 0.258 31.990 31.700 0.054 0.000 0.864 283 F N 3.332 123.293 119.950 0.018 0.000 2.427 283 F HA 0.493 5.020 4.527 -0.000 0.000 0.346 283 F C 0.359 176.174 175.800 0.025 0.000 1.120 283 F CA -0.085 57.930 58.000 0.025 0.000 1.033 283 F CB 1.139 40.153 39.000 0.022 0.000 1.126 283 F HN 0.330 nan 8.300 nan 0.000 0.462 284 T N 1.877 116.040 114.554 -0.652 0.000 3.855 284 T HA 0.244 4.594 4.350 -0.000 0.000 0.313 284 T C -0.444 173.954 174.700 -0.505 0.000 0.938 284 T CA -0.739 61.053 62.100 -0.513 0.000 1.011 284 T CB -0.338 68.408 68.868 -0.204 0.000 1.188 284 T HN 0.350 nan 8.240 nan 0.000 0.477 285 K N 2.361 122.274 120.400 -0.811 0.000 2.401 285 K HA 0.196 4.516 4.320 -0.000 0.000 0.278 285 K C 0.344 176.908 176.600 -0.061 0.000 1.018 285 K CA 0.068 56.169 56.287 -0.310 0.000 0.981 285 K CB -0.025 32.380 32.500 -0.159 0.000 0.933 285 K HN 0.584 nan 8.250 nan 0.000 0.477 286 N N 0.995 119.690 118.700 -0.009 0.000 2.686 286 N HA -0.234 4.506 4.740 -0.000 0.000 0.261 286 N C 0.179 175.783 175.510 0.157 0.000 1.001 286 N CA 0.030 53.112 53.050 0.054 0.000 0.764 286 N CB -0.511 37.976 38.487 -0.001 0.000 0.898 286 N HN 0.391 nan 8.380 nan 0.000 0.544 287 L N -0.746 120.507 121.223 0.050 0.000 2.515 287 L HA 0.337 4.677 4.340 -0.000 0.000 0.223 287 L C 1.611 178.498 176.870 0.029 0.000 1.079 287 L CA 1.789 56.651 54.840 0.037 0.000 0.857 287 L CB 0.096 42.130 42.059 -0.042 0.000 1.050 287 L HN 0.500 nan 8.230 nan 0.000 0.476 288 G N -0.938 107.871 108.800 0.015 0.000 2.159 288 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.227 288 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.227 288 G C 1.016 175.915 174.900 -0.001 0.000 0.986 288 G CA 0.425 45.532 45.100 0.011 0.000 0.651 288 G HN 0.322 nan 8.290 nan 0.000 0.523 289 L N -0.197 121.019 121.223 -0.010 0.000 2.079 289 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 289 L C 2.789 179.651 176.870 -0.013 0.000 1.081 289 L CA 2.129 56.961 54.840 -0.014 0.000 0.752 289 L CB -0.419 41.627 42.059 -0.022 0.000 0.896 289 L HN 0.294 nan 8.230 nan 0.000 0.433 290 E N 0.423 120.615 120.200 -0.014 0.000 2.047 290 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 290 E C 2.019 178.613 176.600 -0.009 0.000 0.987 290 E CA 0.938 57.330 56.400 -0.013 0.000 0.799 290 E CB -0.262 29.430 29.700 -0.014 0.000 0.752 290 E HN 0.375 nan 8.360 nan 0.000 0.449 291 E N -0.188 120.009 120.200 -0.006 0.000 2.209 291 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 291 E C 0.889 177.487 176.600 -0.004 0.000 0.993 291 E CA 0.727 57.125 56.400 -0.003 0.000 0.819 291 E CB 0.047 29.747 29.700 0.000 0.000 0.745 291 E HN 0.081 nan 8.360 nan 0.000 0.477 292 L N -1.522 119.698 121.223 -0.005 0.000 2.640 292 L HA 0.315 4.655 4.340 -0.000 0.000 0.230 292 L C 1.398 178.262 176.870 -0.009 0.000 1.123 292 L CA 0.864 55.701 54.840 -0.006 0.000 0.900 292 L CB 0.045 42.101 42.059 -0.005 0.000 1.146 292 L HN 0.192 nan 8.230 nan 0.000 0.484 293 G N 0.133 108.927 108.800 -0.010 0.000 2.141 293 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.242 293 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.242 293 G C 0.423 175.314 174.900 -0.015 0.000 0.982 293 G CA -0.094 44.998 45.100 -0.012 0.000 0.662 293 G HN 0.288 nan 8.290 nan 0.000 0.527 294 I N 2.419 122.979 120.570 -0.016 0.000 2.329 294 I HA 0.170 4.340 4.170 -0.000 0.000 0.295 294 I C 0.519 176.625 176.117 -0.018 0.000 1.109 294 I CA -0.455 60.834 61.300 -0.018 0.000 1.297 294 I CB 0.358 38.347 38.000 -0.018 0.000 1.433 294 I HN 0.127 nan 8.210 nan 0.000 0.509 295 E N 7.101 127.290 120.200 -0.019 0.000 2.383 295 E HA 0.252 4.602 4.350 -0.000 0.000 0.264 295 E C -0.295 176.294 176.600 -0.019 0.000 1.050 295 E CA -0.280 56.109 56.400 -0.018 0.000 0.896 295 E CB 1.399 31.088 29.700 -0.017 0.000 0.982 295 E HN 0.485 nan 8.360 nan 0.000 0.424 296 L N 2.014 123.226 121.223 -0.018 0.000 2.399 296 L HA 0.119 4.459 4.340 -0.000 0.000 0.266 296 L C 0.697 177.557 176.870 -0.017 0.000 1.114 296 L CA -0.924 53.906 54.840 -0.017 0.000 0.804 296 L CB 0.495 42.543 42.059 -0.017 0.000 1.146 296 L HN 0.552 nan 8.230 nan 0.000 0.451 297 D N 1.826 122.216 120.400 -0.017 0.000 2.371 297 D HA 0.074 4.714 4.640 -0.000 0.000 0.242 297 D C -1.811 174.480 176.300 -0.015 0.000 1.218 297 D CA -1.525 52.465 54.000 -0.017 0.000 0.945 297 D CB 0.063 40.851 40.800 -0.020 0.000 1.137 297 D HN 0.260 nan 8.370 nan 0.000 0.464 298 P HA -0.127 nan 4.420 nan 0.000 0.226 298 P C 0.804 178.096 177.300 -0.014 0.000 1.146 298 P CA 0.945 64.036 63.100 -0.015 0.000 0.773 298 P CB 0.185 31.876 31.700 -0.015 0.000 0.772 299 R N -1.365 119.128 120.500 -0.012 0.000 2.317 299 R HA 0.253 4.593 4.340 -0.000 0.000 0.208 299 R C 1.448 177.746 176.300 -0.003 0.000 0.914 299 R CA 0.716 56.810 56.100 -0.009 0.000 1.060 299 R CB -0.101 30.193 30.300 -0.010 0.000 1.015 299 R HN 0.212 nan 8.270 nan 0.000 0.498 300 G N 0.793 109.590 108.800 -0.005 0.000 2.195 300 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.224 300 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.224 300 G C -0.035 174.864 174.900 -0.001 0.000 0.990 300 G CA -0.303 44.796 45.100 -0.002 0.000 0.639 300 G HN 0.213 nan 8.290 nan 0.000 0.514 301 R N -0.161 120.338 120.500 -0.002 0.000 2.637 301 R HA 0.677 5.017 4.340 -0.000 0.000 0.269 301 R C 0.618 176.917 176.300 -0.003 0.000 1.089 301 R CA -0.267 55.834 56.100 0.001 0.000 1.177 301 R CB 0.678 30.976 30.300 -0.004 0.000 1.091 301 R HN 0.267 nan 8.270 nan 0.000 0.540 302 I N 3.845 124.418 120.570 0.006 0.000 2.325 302 I HA 0.215 4.385 4.170 -0.000 0.000 0.291 302 I C -1.847 174.270 176.117 -0.001 0.000 1.019 302 I CA -2.172 59.130 61.300 0.003 0.000 1.302 302 I CB 1.440 39.451 38.000 0.017 0.000 1.401 302 I HN 0.324 nan 8.210 nan 0.000 0.485 303 P HA 0.162 nan 4.420 nan 0.000 0.276 303 P C -0.899 176.378 177.300 -0.038 0.000 1.235 303 P CA -0.048 63.033 63.100 -0.032 0.000 0.772 303 P CB 1.194 32.873 31.700 -0.035 0.000 0.871 304 V N 1.009 120.886 119.914 -0.061 0.000 3.007 304 V HA 0.526 4.646 4.120 -0.000 0.000 0.311 304 V C 0.195 176.194 176.094 -0.158 0.000 1.120 304 V CA -1.186 61.063 62.300 -0.086 0.000 0.980 304 V CB 1.675 33.479 31.823 -0.033 0.000 1.033 304 V HN 0.695 nan 8.190 nan 0.000 0.429 305 N N 0.796 119.404 118.700 -0.153 0.000 2.385 305 N HA 0.132 4.872 4.740 -0.000 0.000 0.291 305 N C 1.147 176.522 175.510 -0.225 0.000 1.298 305 N CA 0.091 53.051 53.050 -0.149 0.000 0.955 305 N CB 0.607 39.035 38.487 -0.097 0.000 1.096 305 N HN 0.901 nan 8.380 nan 0.000 0.543 306 T N -2.247 112.224 114.554 -0.140 0.000 2.929 306 T HA -0.086 4.264 4.350 -0.000 0.000 0.271 306 T C 1.382 176.029 174.700 -0.089 0.000 1.085 306 T CA 0.733 62.755 62.100 -0.131 0.000 1.125 306 T CB -0.398 68.456 68.868 -0.024 0.000 0.874 306 T HN 0.556 nan 8.240 nan 0.000 0.494 307 R N -0.276 120.229 120.500 0.009 0.000 2.393 307 R HA 0.438 4.778 4.340 -0.000 0.000 0.244 307 R C -0.033 176.545 176.300 0.462 0.000 0.920 307 R CA -0.211 56.028 56.100 0.232 0.000 1.076 307 R CB -0.388 30.053 30.300 0.235 0.000 1.119 307 R HN 0.375 nan 8.270 nan 0.000 0.524 308 F N 0.283 120.294 119.950 0.102 0.000 2.482 308 F HA -0.229 4.298 4.527 -0.000 0.000 0.321 308 F C -0.080 175.722 175.800 0.003 0.000 0.626 308 F CA 0.322 58.395 58.000 0.122 0.000 1.642 308 F CB -1.537 37.589 39.000 0.209 0.000 2.098 308 F HN 0.121 nan 8.300 nan 0.000 0.295 309 Q N 0.862 120.591 119.800 -0.119 0.000 2.340 309 Q HA 0.467 4.807 4.340 -0.000 0.000 0.249 309 Q C 0.926 176.805 176.000 -0.201 0.000 0.957 309 Q CA 0.406 55.948 55.803 -0.434 0.000 0.882 309 Q CB 1.290 29.754 28.738 -0.456 0.000 1.235 309 Q HN 0.359 nan 8.270 nan 0.000 0.439 310 T N -1.776 112.669 114.554 -0.181 0.000 2.814 310 T HA 0.174 4.524 4.350 -0.000 0.000 0.284 310 T C 1.057 175.698 174.700 -0.098 0.000 0.998 310 T CA -0.740 61.301 62.100 -0.098 0.000 0.935 310 T CB 0.637 69.469 68.868 -0.060 0.000 1.167 310 T HN 0.496 nan 8.240 nan 0.000 0.545 311 K N -0.414 119.947 120.400 -0.066 0.000 2.189 311 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 311 K C 0.371 176.936 176.600 -0.059 0.000 1.046 311 K CA 1.302 57.555 56.287 -0.056 0.000 0.928 311 K CB -0.595 31.881 32.500 -0.040 0.000 0.720 311 K HN 0.531 nan 8.250 nan 0.000 0.458 312 I N 1.404 121.935 120.570 -0.065 0.000 2.297 312 I HA 0.058 4.228 4.170 -0.000 0.000 0.291 312 I C -1.786 174.272 176.117 -0.098 0.000 1.033 312 I CA -2.220 59.044 61.300 -0.060 0.000 1.253 312 I CB 1.610 39.587 38.000 -0.038 0.000 1.396 312 I HN -0.142 nan 8.210 nan 0.000 0.476 313 P HA -0.179 nan 4.420 nan 0.000 0.216 313 P C 0.750 177.943 177.300 -0.179 0.000 1.153 313 P CA 1.353 64.374 63.100 -0.132 0.000 0.858 313 P CB -0.048 31.614 31.700 -0.063 0.000 0.789 314 N N -0.611 118.052 118.700 -0.062 0.000 2.383 314 N HA -0.000 4.740 4.740 -0.000 0.000 0.192 314 N C 0.044 175.607 175.510 0.088 0.000 1.141 314 N CA 0.218 53.300 53.050 0.054 0.000 0.851 314 N CB -0.349 38.187 38.487 0.083 0.000 0.976 314 N HN 0.210 nan 8.380 nan 0.000 0.465 315 I N 1.350 121.884 120.570 -0.061 0.000 2.330 315 I HA 0.281 4.451 4.170 -0.000 0.000 0.289 315 I C -0.633 175.432 176.117 -0.088 0.000 1.001 315 I CA -0.834 60.477 61.300 0.017 0.000 1.193 315 I CB 0.474 38.478 38.000 0.006 0.000 1.345 315 I HN -0.164 nan 8.210 nan 0.000 0.461 316 Y N 4.424 124.732 120.300 0.013 0.000 2.631 316 Y HA 0.841 5.391 4.550 -0.000 0.000 0.328 316 Y C 0.339 176.269 175.900 0.050 0.000 1.118 316 Y CA -0.899 57.230 58.100 0.048 0.000 1.206 316 Y CB 1.712 40.191 38.460 0.032 0.000 1.337 316 Y HN 0.577 nan 8.280 nan 0.000 0.515 317 A N 1.317 124.307 122.820 0.282 0.000 2.589 317 A HA 0.826 5.146 4.320 -0.000 0.000 0.296 317 A C -1.419 176.302 177.584 0.227 0.000 1.062 317 A CA -0.517 51.631 52.037 0.185 0.000 0.686 317 A CB 1.350 20.431 19.000 0.135 0.000 1.282 317 A HN 0.812 nan 8.150 nan 0.000 0.404 318 I N -1.704 118.928 120.570 0.103 0.000 3.229 318 I HA 0.877 5.047 4.170 -0.000 0.000 0.313 318 I C 0.353 176.487 176.117 0.028 0.000 1.317 318 I CA -0.192 61.133 61.300 0.041 0.000 0.940 318 I CB 1.610 39.489 38.000 -0.202 0.000 1.315 318 I HN 2.383 nan 8.210 nan 0.000 0.484 319 G N 2.258 111.067 108.800 0.015 0.000 2.542 319 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.235 319 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.235 319 G C -0.077 174.842 174.900 0.031 0.000 1.286 319 G CA 0.592 45.695 45.100 0.005 0.000 0.904 319 G HN 0.861 nan 8.290 nan 0.000 0.577 320 D N -0.579 119.836 120.400 0.025 0.000 2.309 320 D HA 0.021 4.661 4.640 -0.000 0.000 0.212 320 D C 2.343 178.668 176.300 0.042 0.000 0.968 320 D CA 1.191 55.208 54.000 0.029 0.000 0.882 320 D CB 0.054 40.874 40.800 0.034 0.000 0.918 320 D HN 0.446 nan 8.370 nan 0.000 0.503 321 V N 0.331 120.276 119.914 0.052 0.000 3.461 321 V HA -0.004 4.116 4.120 -0.000 0.000 0.267 321 V C 0.641 176.765 176.094 0.050 0.000 1.186 321 V CA 0.393 62.725 62.300 0.054 0.000 1.154 321 V CB 0.024 31.881 31.823 0.056 0.000 0.802 321 V HN 0.008 nan 8.190 nan 0.000 0.474 322 V N -2.427 117.524 119.914 0.062 0.000 3.113 322 V HA 0.924 5.044 4.120 -0.000 0.000 0.316 322 V C 0.353 176.458 176.094 0.019 0.000 1.125 322 V CA -0.961 61.375 62.300 0.061 0.000 1.026 322 V CB 0.993 32.901 31.823 0.142 0.000 1.080 322 V HN 0.201 nan 8.190 nan 0.000 0.444 323 A N 0.401 123.204 122.820 -0.027 0.000 2.567 323 A HA 0.577 4.897 4.320 -0.000 0.000 0.236 323 A C 1.031 178.501 177.584 -0.191 0.000 1.088 323 A CA 1.018 52.993 52.037 -0.103 0.000 0.776 323 A CB -0.900 18.019 19.000 -0.135 0.000 1.033 323 A HN 3.043 nan 8.150 nan 0.000 0.513 324 G N -0.141 108.497 108.800 -0.269 0.000 2.525 324 G HA2 0.196 4.156 3.960 -0.000 0.000 0.685 324 G HA3 0.196 4.156 3.960 -0.000 0.000 0.685 324 G C -3.243 171.557 174.900 -0.167 0.000 1.290 324 G CA -0.448 44.410 45.100 -0.404 0.000 0.915 324 G HN 0.906 nan 8.290 nan 0.000 0.548 325 P HA 0.418 nan 4.420 nan 0.000 0.276 325 P C 0.406 177.679 177.300 -0.044 0.000 1.243 325 P CA -0.192 62.885 63.100 -0.038 0.000 0.768 325 P CB 0.481 32.176 31.700 -0.008 0.000 0.856 326 M N 4.322 123.908 119.600 -0.024 0.000 2.922 326 M HA 0.152 4.632 4.480 -0.000 0.000 0.294 326 M C -0.324 175.946 176.300 -0.050 0.000 1.556 326 M CA 0.936 56.222 55.300 -0.023 0.000 1.568 326 M CB -0.956 31.647 32.600 0.005 0.000 1.462 326 M HN 0.233 nan 8.290 nan 0.000 0.489 327 L N 0.389 121.544 121.223 -0.114 0.000 2.434 327 L HA 0.552 4.892 4.340 -0.000 0.000 0.260 327 L C 0.921 177.652 176.870 -0.233 0.000 0.983 327 L CA -0.636 54.079 54.840 -0.208 0.000 0.820 327 L CB 1.913 43.723 42.059 -0.414 0.000 1.361 327 L HN 0.607 nan 8.230 nan 0.000 0.410 328 A N 0.995 123.729 122.820 -0.144 0.000 1.851 328 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 328 A C 1.953 179.489 177.584 -0.081 0.000 1.195 328 A CA 2.050 54.058 52.037 -0.048 0.000 0.622 328 A CB -0.907 18.132 19.000 0.066 0.000 0.831 328 A HN 0.955 nan 8.150 nan 0.000 0.444 329 H N -1.282 117.778 119.070 -0.017 0.000 2.491 329 H HA -0.001 4.555 4.556 -0.000 0.000 0.290 329 H C 1.660 176.971 175.328 -0.029 0.000 1.050 329 H CA 1.346 57.375 56.048 -0.032 0.000 1.309 329 H CB -0.321 29.422 29.762 -0.032 0.000 1.392 329 H HN 0.413 nan 8.280 nan 0.000 0.554 330 K N 1.733 121.923 120.400 -0.350 0.000 2.148 330 K HA 0.009 4.329 4.320 -0.000 0.000 0.204 330 K C 2.168 178.734 176.600 -0.057 0.000 1.050 330 K CA 1.072 57.283 56.287 -0.126 0.000 0.942 330 K CB -0.198 32.237 32.500 -0.107 0.000 0.724 330 K HN 0.351 nan 8.250 nan 0.000 0.446 331 A N 0.834 123.599 122.820 -0.092 0.000 1.898 331 A HA -0.100 4.220 4.320 -0.000 0.000 0.214 331 A C 2.035 179.545 177.584 -0.122 0.000 1.183 331 A CA 1.330 53.315 52.037 -0.086 0.000 0.622 331 A CB -0.394 18.560 19.000 -0.077 0.000 0.824 331 A HN 0.440 nan 8.150 nan 0.000 0.444 332 E N -0.211 119.921 120.200 -0.113 0.000 2.118 332 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 332 E C 1.312 177.835 176.600 -0.128 0.000 0.992 332 E CA 1.517 57.835 56.400 -0.136 0.000 0.804 332 E CB -0.050 29.594 29.700 -0.093 0.000 0.741 332 E HN 0.576 nan 8.360 nan 0.000 0.458 333 D N -0.161 120.181 120.400 -0.097 0.000 2.137 333 D HA -0.092 4.548 4.640 -0.000 0.000 0.202 333 D C 1.573 177.774 176.300 -0.165 0.000 0.970 333 D CA 0.799 54.737 54.000 -0.103 0.000 0.837 333 D CB -0.011 40.744 40.800 -0.074 0.000 0.981 333 D HN 0.175 nan 8.370 nan 0.000 0.475 334 E N 0.154 120.235 120.200 -0.198 0.000 2.110 334 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 334 E C 2.109 178.414 176.600 -0.493 0.000 0.988 334 E CA 0.970 57.115 56.400 -0.426 0.000 0.804 334 E CB -0.156 29.295 29.700 -0.414 0.000 0.745 334 E HN 0.281 nan 8.360 nan 0.000 0.458 335 G N 1.453 110.064 108.800 -0.315 0.000 2.453 335 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.215 335 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.215 335 G C 1.594 176.355 174.900 -0.231 0.000 1.201 335 G CA 0.641 45.580 45.100 -0.268 0.000 0.784 335 G HN 0.121 nan 8.290 nan 0.000 0.545 336 I N 1.663 122.124 120.570 -0.183 0.000 2.194 336 I HA -0.191 3.979 4.170 -0.000 0.000 0.246 336 I C 2.703 178.750 176.117 -0.117 0.000 1.093 336 I CA 1.427 62.649 61.300 -0.130 0.000 1.355 336 I CB -0.158 37.782 38.000 -0.099 0.000 1.046 336 I HN 0.379 nan 8.210 nan 0.000 0.413 337 I N -2.257 118.233 120.570 -0.132 0.000 2.928 337 I HA -0.175 3.995 4.170 -0.000 0.000 0.266 337 I C 2.590 178.659 176.117 -0.080 0.000 1.234 337 I CA 0.745 61.998 61.300 -0.079 0.000 1.483 337 I CB -0.660 37.316 38.000 -0.039 0.000 1.097 337 I HN 0.277 nan 8.210 nan 0.000 0.455 338 C N 1.629 120.813 119.300 -0.195 0.000 2.446 338 C HA -0.076 4.384 4.460 -0.000 0.000 0.277 338 C C 2.917 177.780 174.990 -0.212 0.000 1.275 338 C CA 1.354 60.259 59.018 -0.189 0.000 1.727 338 C CB -0.900 26.637 27.740 -0.337 0.000 2.010 338 C HN 0.621 nan 8.230 nan 0.000 0.486 339 V N -0.942 118.845 119.914 -0.211 0.000 2.488 339 V HA -0.055 4.065 4.120 -0.000 0.000 0.246 339 V C 2.166 178.234 176.094 -0.043 0.000 1.046 339 V CA 2.138 64.319 62.300 -0.198 0.000 1.053 339 V CB -1.171 30.564 31.823 -0.147 0.000 0.679 339 V HN 0.552 nan 8.190 nan 0.000 0.458 340 E N 1.348 121.539 120.200 -0.016 0.000 2.204 340 E HA -0.065 4.285 4.350 -0.000 0.000 0.195 340 E C 2.231 178.866 176.600 0.058 0.000 0.990 340 E CA 1.298 57.721 56.400 0.037 0.000 0.821 340 E CB -0.447 29.265 29.700 0.020 0.000 0.750 340 E HN 0.747 nan 8.360 nan 0.000 0.477 341 G N 0.547 109.372 108.800 0.041 0.000 2.396 341 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.214 341 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.214 341 G C 1.488 176.442 174.900 0.089 0.000 1.166 341 G CA 0.174 45.324 45.100 0.083 0.000 0.793 341 G HN 0.092 nan 8.290 nan 0.000 0.533 342 M N 0.892 120.491 119.600 -0.002 0.000 2.346 342 M HA -0.028 4.452 4.480 -0.000 0.000 0.263 342 M C 2.308 178.728 176.300 0.199 0.000 1.064 342 M CA 1.206 56.492 55.300 -0.023 0.000 1.083 342 M CB 0.014 32.398 32.600 -0.360 0.000 1.399 342 M HN 0.304 nan 8.290 nan 0.000 0.435 343 A N -0.754 122.218 122.820 0.253 0.000 2.507 343 A HA 0.515 4.835 4.320 -0.000 0.000 0.270 343 A C 1.428 179.085 177.584 0.123 0.000 1.318 343 A CA 0.467 52.670 52.037 0.276 0.000 0.924 343 A CB -0.489 18.666 19.000 0.259 0.000 1.061 343 A HN 0.619 nan 8.150 nan 0.000 0.516 344 G N -1.242 107.624 108.800 0.111 0.000 2.241 344 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.244 344 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.244 344 G C 1.023 175.960 174.900 0.062 0.000 0.998 344 G CA 0.210 45.355 45.100 0.076 0.000 0.621 344 G HN 1.495 nan 8.290 nan 0.000 0.519 345 G N 0.427 109.265 108.800 0.062 0.000 2.680 345 G HA2 0.532 4.492 3.960 -0.000 0.000 0.274 345 G HA3 0.532 4.492 3.960 -0.000 0.000 0.274 345 G C 0.607 175.543 174.900 0.061 0.000 1.292 345 G CA 0.766 45.898 45.100 0.053 0.000 1.007 345 G HN 1.671 nan 8.290 nan 0.000 0.578 346 A N -1.492 121.361 122.820 0.056 0.000 2.303 346 A HA 0.590 4.910 4.320 -0.000 0.000 0.317 346 A C 0.031 177.670 177.584 0.091 0.000 1.149 346 A CA -0.268 51.809 52.037 0.068 0.000 0.822 346 A CB 1.472 20.502 19.000 0.050 0.000 1.131 346 A HN 1.618 nan 8.150 nan 0.000 0.493 347 V N 1.112 121.100 119.914 0.124 0.000 2.260 347 V HA 0.377 4.497 4.120 -0.000 0.000 0.263 347 V C -0.143 176.064 176.094 0.189 0.000 1.036 347 V CA -0.374 62.020 62.300 0.156 0.000 0.874 347 V CB -0.298 31.645 31.823 0.201 0.000 1.116 347 V HN 0.925 nan 8.190 nan 0.000 0.454 348 H N 3.737 122.832 119.070 0.041 0.000 2.466 348 H HA 0.772 5.328 4.556 -0.000 0.000 0.338 348 H C -1.608 173.708 175.328 -0.020 0.000 1.091 348 H CA -0.783 55.273 56.048 0.013 0.000 1.207 348 H CB 2.600 32.358 29.762 -0.006 0.000 1.466 348 H HN 0.661 nan 8.280 nan 0.000 0.493 349 I N 4.484 124.682 120.570 -0.619 0.000 2.607 349 I HA 0.097 4.267 4.170 -0.000 0.000 0.290 349 I C -1.405 174.255 176.117 -0.762 0.000 1.129 349 I CA -0.663 60.257 61.300 -0.634 0.000 1.042 349 I CB 1.935 39.655 38.000 -0.467 0.000 1.242 349 I HN 0.546 nan 8.210 nan 0.000 0.421 350 D N 6.051 126.118 120.400 -0.556 0.000 2.467 350 D HA 0.203 4.843 4.640 -0.000 0.000 0.220 350 D C 0.265 176.421 176.300 -0.240 0.000 1.103 350 D CA 0.022 53.838 54.000 -0.306 0.000 0.886 350 D CB 0.491 41.218 40.800 -0.120 0.000 1.025 350 D HN 0.397 nan 8.370 nan 0.000 0.514 351 Y N 1.840 122.115 120.300 -0.041 0.000 2.569 351 Y HA -0.074 4.476 4.550 -0.000 0.000 0.293 351 Y C 2.200 178.105 175.900 0.008 0.000 1.144 351 Y CA 0.589 58.683 58.100 -0.009 0.000 1.321 351 Y CB -0.309 38.152 38.460 0.002 0.000 0.982 351 Y HN 0.493 nan 8.280 nan 0.000 0.558 352 N N -1.012 117.758 118.700 0.116 0.000 2.494 352 N HA -0.093 4.647 4.740 -0.000 0.000 0.182 352 N C 0.266 175.815 175.510 0.064 0.000 1.076 352 N CA 0.483 53.592 53.050 0.099 0.000 0.908 352 N CB -0.027 38.510 38.487 0.083 0.000 0.967 352 N HN 0.239 nan 8.380 nan 0.000 0.449 353 C N 1.137 120.456 119.300 0.031 0.000 2.668 353 C HA 0.290 4.750 4.460 -0.000 0.000 0.301 353 C C 0.595 175.587 174.990 0.003 0.000 1.351 353 C CA -0.657 58.366 59.018 0.009 0.000 1.757 353 C CB -1.166 26.564 27.740 -0.018 0.000 2.179 353 C HN 0.151 nan 8.230 nan 0.000 0.586 354 V N 1.911 121.846 119.914 0.034 0.000 2.370 354 V HA 0.608 4.728 4.120 -0.000 0.000 0.283 354 V C -2.744 173.356 176.094 0.010 0.000 1.023 354 V CA -1.856 60.479 62.300 0.058 0.000 0.857 354 V CB 1.434 33.333 31.823 0.127 0.000 0.985 354 V HN 0.091 nan 8.190 nan 0.000 0.443 355 P HA 0.504 nan 4.420 nan 0.000 0.276 355 P C -0.826 176.310 177.300 -0.274 0.000 1.252 355 P CA -0.226 62.738 63.100 -0.227 0.000 0.802 355 P CB 0.949 32.488 31.700 -0.268 0.000 1.035 356 S N -0.512 114.798 115.700 -0.651 0.000 2.549 356 S HA 0.660 5.130 4.470 -0.000 0.000 0.280 356 S C -1.011 173.072 174.600 -0.860 0.000 1.109 356 S CA -0.563 57.175 58.200 -0.770 0.000 0.905 356 S CB 1.492 63.904 63.200 -1.312 0.000 1.081 356 S HN 0.188 nan 8.310 nan 0.000 0.477 357 V N 2.784 122.326 119.914 -0.620 0.000 2.808 357 V HA 0.521 4.641 4.120 -0.000 0.000 0.308 357 V C -1.108 174.640 176.094 -0.576 0.000 1.099 357 V CA -0.588 61.310 62.300 -0.670 0.000 0.920 357 V CB 1.821 33.096 31.823 -0.913 0.000 1.014 357 V HN 0.832 nan 8.190 nan 0.000 0.425 358 I N 4.063 124.372 120.570 -0.434 0.000 2.362 358 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 358 I C -0.881 175.069 176.117 -0.278 0.000 0.994 358 I CA -0.525 60.652 61.300 -0.206 0.000 1.158 358 I CB 1.479 39.461 38.000 -0.029 0.000 1.315 358 I HN 0.622 nan 8.210 nan 0.000 0.451 359 Y N 4.186 124.488 120.300 0.003 0.000 2.928 359 Y HA 0.150 4.700 4.550 -0.000 0.000 0.390 359 Y C 1.356 177.267 175.900 0.017 0.000 1.101 359 Y CA -0.775 57.316 58.100 -0.014 0.000 1.777 359 Y CB -0.622 37.821 38.460 -0.028 0.000 1.720 359 Y HN 0.520 nan 8.280 nan 0.000 0.484 360 T N -2.881 111.775 114.554 0.170 0.000 2.729 360 T HA 0.172 4.522 4.350 -0.000 0.000 0.298 360 T C -0.605 174.176 174.700 0.136 0.000 1.013 360 T CA -0.529 61.690 62.100 0.198 0.000 0.957 360 T CB 0.939 70.025 68.868 0.363 0.000 1.130 360 T HN 0.473 nan 8.240 nan 0.000 0.526 361 H N 1.440 120.534 119.070 0.041 0.000 2.970 361 H HA 0.447 5.003 4.556 -0.000 0.000 0.315 361 H C -2.724 172.665 175.328 0.102 0.000 0.992 361 H CA -1.716 54.317 56.048 -0.025 0.000 1.363 361 H CB 1.260 30.866 29.762 -0.260 0.000 1.532 361 H HN 0.425 nan 8.280 nan 0.000 0.514 362 P HA 0.161 nan 4.420 nan 0.000 0.279 362 P C -0.775 176.433 177.300 -0.153 0.000 1.252 362 P CA -0.628 62.226 63.100 -0.410 0.000 0.811 362 P CB 2.008 33.563 31.700 -0.241 0.000 1.035 363 E N 0.336 120.410 120.200 -0.209 0.000 2.254 363 E HA 0.557 4.907 4.350 -0.000 0.000 0.261 363 E C -0.698 175.746 176.600 -0.260 0.000 1.051 363 E CA -1.156 55.129 56.400 -0.192 0.000 0.902 363 E CB 0.993 30.596 29.700 -0.162 0.000 1.168 363 E HN 0.112 nan 8.360 nan 0.000 0.423 364 V N -0.385 119.341 119.914 -0.313 0.000 2.823 364 V HA 0.778 4.898 4.120 -0.000 0.000 0.312 364 V C -0.672 175.365 176.094 -0.095 0.000 1.072 364 V CA -0.658 61.512 62.300 -0.216 0.000 0.937 364 V CB 1.558 33.170 31.823 -0.351 0.000 1.013 364 V HN 0.945 nan 8.190 nan 0.000 0.430 365 A N 3.160 126.029 122.820 0.081 0.000 2.577 365 A HA 0.917 5.237 4.320 -0.000 0.000 0.297 365 A C -1.742 175.959 177.584 0.195 0.000 1.060 365 A CA -0.581 51.421 52.037 -0.057 0.000 0.697 365 A CB 1.429 20.322 19.000 -0.179 0.000 1.281 365 A HN 1.580 nan 8.150 nan 0.000 0.402 366 W N 0.100 121.326 121.300 -0.124 0.000 3.005 366 W HA 0.780 5.440 4.660 -0.000 0.000 0.343 366 W C -1.751 174.666 176.519 -0.170 0.000 1.243 366 W CA -1.070 56.157 57.345 -0.197 0.000 1.186 366 W CB 1.204 30.535 29.460 -0.214 0.000 1.453 366 W HN 1.229 nan 8.180 nan 0.000 0.575 367 V N 2.171 122.075 119.914 -0.017 0.000 3.098 367 V HA 0.763 4.883 4.120 -0.000 0.000 0.294 367 V C 0.186 176.285 176.094 0.008 0.000 1.351 367 V CA 0.561 62.843 62.300 -0.029 0.000 0.999 367 V CB 1.252 33.035 31.823 -0.067 0.000 1.104 367 V HN 2.353 nan 8.190 nan 0.000 0.438 368 G N 5.293 114.133 108.800 0.067 0.000 2.488 368 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.237 368 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.237 368 G C -0.528 174.445 174.900 0.122 0.000 1.209 368 G CA 0.307 45.450 45.100 0.071 0.000 0.929 368 G HN 1.032 nan 8.290 nan 0.000 0.578 369 K N 0.352 120.820 120.400 0.113 0.000 2.267 369 K HA 0.675 4.995 4.320 -0.000 0.000 0.246 369 K C 0.447 177.170 176.600 0.205 0.000 0.954 369 K CA 0.001 56.366 56.287 0.129 0.000 0.824 369 K CB 1.837 34.374 32.500 0.062 0.000 1.167 369 K HN 0.898 nan 8.250 nan 0.000 0.431 370 S N 0.236 115.991 115.700 0.091 0.000 2.693 370 S HA 0.202 4.672 4.470 -0.000 0.000 0.276 370 S C 0.822 175.296 174.600 -0.209 0.000 1.192 370 S CA -0.664 57.461 58.200 -0.126 0.000 0.994 370 S CB 1.220 64.284 63.200 -0.226 0.000 1.012 370 S HN 0.648 nan 8.310 nan 0.000 0.550 371 E N 1.067 121.078 120.200 -0.314 0.000 2.051 371 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 371 E C 1.964 178.503 176.600 -0.102 0.000 0.991 371 E CA 1.472 57.708 56.400 -0.274 0.000 0.799 371 E CB -0.198 29.397 29.700 -0.176 0.000 0.748 371 E HN 0.772 nan 8.360 nan 0.000 0.449 372 E N 1.495 121.628 120.200 -0.112 0.000 2.118 372 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 372 E C 1.942 178.521 176.600 -0.035 0.000 0.992 372 E CA 1.205 57.565 56.400 -0.067 0.000 0.804 372 E CB -0.538 29.100 29.700 -0.103 0.000 0.741 372 E HN 0.469 nan 8.360 nan 0.000 0.458 373 Q N 0.122 119.896 119.800 -0.044 0.000 2.016 373 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 373 Q C 2.320 178.330 176.000 0.016 0.000 0.978 373 Q CA 0.833 56.631 55.803 -0.007 0.000 0.833 373 Q CB -0.221 28.519 28.738 0.003 0.000 0.895 373 Q HN 0.138 nan 8.270 nan 0.000 0.427 374 L N 1.638 122.865 121.223 0.006 0.000 2.013 374 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 374 L C 2.156 179.104 176.870 0.130 0.000 1.073 374 L CA 1.844 56.722 54.840 0.064 0.000 0.753 374 L CB -0.873 41.187 42.059 0.002 0.000 0.890 374 L HN 0.175 nan 8.230 nan 0.000 0.432 375 K N -0.767 119.720 120.400 0.146 0.000 2.044 375 K HA -0.245 4.075 4.320 -0.000 0.000 0.210 375 K C 2.042 178.678 176.600 0.060 0.000 1.049 375 K CA 1.759 58.115 56.287 0.115 0.000 0.927 375 K CB -0.115 32.439 32.500 0.090 0.000 0.713 375 K HN 0.263 nan 8.250 nan 0.000 0.443 376 E N 0.734 120.958 120.200 0.041 0.000 2.051 376 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 376 E C 1.648 178.267 176.600 0.031 0.000 0.991 376 E CA 1.591 58.007 56.400 0.026 0.000 0.799 376 E CB 0.102 29.812 29.700 0.017 0.000 0.748 376 E HN 0.391 nan 8.360 nan 0.000 0.449 377 E N -0.943 119.281 120.200 0.039 0.000 2.489 377 E HA 0.055 4.405 4.350 -0.000 0.000 0.193 377 E C 0.652 177.279 176.600 0.044 0.000 1.057 377 E CA 0.579 57.002 56.400 0.039 0.000 0.866 377 E CB 0.416 30.141 29.700 0.041 0.000 0.916 377 E HN 0.237 nan 8.360 nan 0.000 0.500 378 G N 1.638 110.470 108.800 0.053 0.000 2.149 378 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.235 378 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.235 378 G C -0.015 174.918 174.900 0.056 0.000 1.018 378 G CA 0.187 45.314 45.100 0.045 0.000 0.728 378 G HN 0.296 nan 8.290 nan 0.000 0.508 379 I N 0.443 121.068 120.570 0.091 0.000 2.428 379 I HA 0.268 4.438 4.170 -0.000 0.000 0.289 379 I C 0.930 177.123 176.117 0.126 0.000 1.019 379 I CA -0.512 60.851 61.300 0.104 0.000 1.351 379 I CB 1.322 39.394 38.000 0.121 0.000 1.412 379 I HN 0.188 nan 8.210 nan 0.000 0.513 380 E N 6.377 126.617 120.200 0.066 0.000 2.220 380 E HA 0.093 4.443 4.350 -0.000 0.000 0.272 380 E C -1.433 175.214 176.600 0.078 0.000 1.099 380 E CA -0.035 56.367 56.400 0.003 0.000 0.907 380 E CB 0.357 30.056 29.700 -0.002 0.000 1.022 380 E HN 0.449 nan 8.360 nan 0.000 0.428 381 Y N 2.027 122.329 120.300 0.005 0.000 2.662 381 Y HA 0.591 5.141 4.550 -0.000 0.000 0.335 381 Y C -0.838 175.062 175.900 0.001 0.000 1.066 381 Y CA -1.420 56.685 58.100 0.008 0.000 1.116 381 Y CB 0.840 39.308 38.460 0.014 0.000 1.308 381 Y HN 0.212 nan 8.280 nan 0.000 0.502 382 K N 0.799 121.346 120.400 0.245 0.000 2.435 382 K HA 0.778 5.098 4.320 -0.000 0.000 0.251 382 K C -1.720 175.039 176.600 0.266 0.000 0.954 382 K CA -1.017 55.360 56.287 0.149 0.000 0.820 382 K CB 2.735 35.270 32.500 0.057 0.000 1.292 382 K HN 0.938 nan 8.250 nan 0.000 0.436 383 V N -1.483 118.551 119.914 0.200 0.000 2.823 383 V HA 0.878 4.998 4.120 -0.000 0.000 0.312 383 V C -0.657 175.491 176.094 0.090 0.000 1.072 383 V CA -0.208 62.186 62.300 0.156 0.000 0.937 383 V CB 1.677 33.601 31.823 0.168 0.000 1.013 383 V HN 0.969 nan 8.190 nan 0.000 0.430 384 G N 3.422 112.262 108.800 0.066 0.000 2.626 384 G HA2 0.666 4.626 3.960 -0.000 0.000 0.304 384 G HA3 0.666 4.626 3.960 -0.000 0.000 0.304 384 G C -1.094 173.845 174.900 0.064 0.000 1.385 384 G CA -0.795 44.343 45.100 0.063 0.000 0.957 384 G HN 0.856 nan 8.290 nan 0.000 0.504 385 K N 0.753 121.208 120.400 0.092 0.000 2.267 385 K HA 0.736 5.056 4.320 -0.000 0.000 0.246 385 K C -1.747 174.923 176.600 0.117 0.000 0.954 385 K CA -0.796 55.532 56.287 0.068 0.000 0.824 385 K CB 2.536 35.057 32.500 0.036 0.000 1.167 385 K HN 0.383 nan 8.250 nan 0.000 0.431 386 F N 3.763 123.617 119.950 -0.160 0.000 2.722 386 F HA 0.304 4.831 4.527 -0.000 0.000 0.336 386 F C -2.658 172.888 175.800 -0.424 0.000 1.216 386 F CA -1.725 56.119 58.000 -0.259 0.000 1.065 386 F CB 1.700 40.579 39.000 -0.202 0.000 1.325 386 F HN 0.326 nan 8.300 nan 0.000 0.524 387 P HA 0.188 nan 4.420 nan 0.000 0.284 387 P C 0.278 177.278 177.300 -0.500 0.000 1.253 387 P CA -0.098 62.583 63.100 -0.699 0.000 0.800 387 P CB 1.001 32.241 31.700 -0.768 0.000 0.961 388 F N 1.553 121.444 119.950 -0.099 0.000 2.604 388 F HA -0.017 4.510 4.527 -0.000 0.000 0.298 388 F C 2.501 178.290 175.800 -0.018 0.000 1.131 388 F CA 1.174 59.191 58.000 0.029 0.000 1.457 388 F CB -1.080 37.946 39.000 0.044 0.000 1.095 388 F HN 0.353 nan 8.300 nan 0.000 0.574 389 A N 0.096 122.927 122.820 0.018 0.000 1.902 389 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 389 A C 2.288 179.851 177.584 -0.034 0.000 1.181 389 A CA 1.635 53.661 52.037 -0.018 0.000 0.623 389 A CB -1.048 17.896 19.000 -0.093 0.000 0.818 389 A HN 0.238 nan 8.150 nan 0.000 0.443 390 A N -0.635 122.071 122.820 -0.190 0.000 2.278 390 A HA 0.116 4.436 4.320 -0.000 0.000 0.212 390 A C 0.816 178.549 177.584 0.247 0.000 1.213 390 A CA -0.097 51.896 52.037 -0.073 0.000 0.840 390 A CB -0.485 18.324 19.000 -0.319 0.000 0.866 390 A HN 0.526 nan 8.150 nan 0.000 0.489 391 N N 0.255 119.156 118.700 0.335 0.000 2.419 391 N HA 0.134 4.874 4.740 -0.000 0.000 0.264 391 N C 0.556 176.197 175.510 0.218 0.000 1.031 391 N CA 0.109 53.388 53.050 0.382 0.000 0.951 391 N CB 1.101 39.870 38.487 0.470 0.000 1.101 391 N HN 0.123 nan 8.380 nan 0.000 0.488 392 S N 3.720 119.508 115.700 0.148 0.000 2.365 392 S HA -0.190 4.280 4.470 -0.000 0.000 0.225 392 S C 1.751 176.380 174.600 0.049 0.000 1.039 392 S CA 1.157 59.406 58.200 0.083 0.000 1.033 392 S CB -0.121 63.097 63.200 0.029 0.000 0.887 392 S HN 0.676 nan 8.310 nan 0.000 0.447 393 R N 1.265 121.774 120.500 0.016 0.000 2.070 393 R HA -0.055 4.285 4.340 -0.000 0.000 0.233 393 R C 2.471 178.803 176.300 0.053 0.000 1.137 393 R CA 1.304 57.413 56.100 0.016 0.000 0.945 393 R CB -0.634 29.668 30.300 0.002 0.000 0.845 393 R HN 0.361 nan 8.270 nan 0.000 0.430 394 A N 1.014 123.887 122.820 0.090 0.000 1.958 394 A HA -0.296 4.024 4.320 -0.000 0.000 0.221 394 A C 2.071 179.710 177.584 0.091 0.000 1.178 394 A CA 2.168 54.259 52.037 0.090 0.000 0.642 394 A CB -0.524 18.578 19.000 0.170 0.000 0.816 394 A HN 0.361 nan 8.150 nan 0.000 0.453 395 K N -0.571 119.888 120.400 0.098 0.000 2.155 395 K HA -0.086 4.234 4.320 -0.000 0.000 0.203 395 K C 2.062 178.702 176.600 0.066 0.000 1.052 395 K CA 1.961 58.299 56.287 0.084 0.000 0.948 395 K CB -0.386 32.167 32.500 0.089 0.000 0.728 395 K HN 0.585 nan 8.250 nan 0.000 0.448 396 T N -2.403 112.185 114.554 0.057 0.000 3.043 396 T HA 0.018 4.368 4.350 -0.000 0.000 0.263 396 T C 1.072 175.796 174.700 0.041 0.000 1.094 396 T CA 0.904 63.032 62.100 0.045 0.000 1.127 396 T CB -0.429 68.463 68.868 0.039 0.000 0.905 396 T HN 0.297 nan 8.240 nan 0.000 0.490 397 N N 1.884 120.612 118.700 0.047 0.000 2.461 397 N HA 0.380 5.120 4.740 -0.000 0.000 0.188 397 N C 0.555 176.104 175.510 0.064 0.000 1.134 397 N CA 0.120 53.200 53.050 0.051 0.000 0.878 397 N CB -0.158 38.364 38.487 0.058 0.000 0.972 397 N HN 0.577 nan 8.380 nan 0.000 0.456 398 A N 1.928 124.786 122.820 0.065 0.000 2.136 398 A HA -0.197 4.123 4.320 -0.000 0.000 0.274 398 A C -0.152 177.490 177.584 0.097 0.000 1.388 398 A CA 0.865 52.946 52.037 0.073 0.000 0.741 398 A CB -1.416 17.622 19.000 0.063 0.000 1.173 398 A HN 0.469 nan 8.150 nan 0.000 0.329 399 D N 0.097 120.556 120.400 0.098 0.000 3.453 399 D HA 0.236 4.876 4.640 -0.000 0.000 0.312 399 D C 0.927 177.270 176.300 0.072 0.000 1.349 399 D CA 0.587 54.658 54.000 0.118 0.000 0.739 399 D CB -0.209 40.669 40.800 0.129 0.000 1.312 399 D HN 0.572 nan 8.370 nan 0.000 0.628 400 T N -2.236 112.371 114.554 0.088 0.000 3.235 400 T HA 0.197 4.547 4.350 -0.000 0.000 0.251 400 T C 0.437 175.204 174.700 0.111 0.000 1.060 400 T CA -0.527 61.636 62.100 0.106 0.000 0.949 400 T CB 0.133 69.057 68.868 0.094 0.000 1.020 400 T HN -0.077 nan 8.240 nan 0.000 0.564 401 D N 2.150 122.594 120.400 0.074 0.000 2.425 401 D HA 0.506 5.146 4.640 -0.000 0.000 0.247 401 D C 1.090 177.480 176.300 0.150 0.000 1.147 401 D CA 1.311 55.358 54.000 0.079 0.000 0.879 401 D CB 0.728 41.552 40.800 0.040 0.000 1.179 401 D HN 0.547 nan 8.370 nan 0.000 0.456 402 G N 0.846 109.741 108.800 0.158 0.000 2.500 402 G HA2 0.209 4.169 3.960 -0.000 0.000 0.209 402 G HA3 0.209 4.169 3.960 -0.000 0.000 0.209 402 G C -0.716 174.284 174.900 0.167 0.000 1.283 402 G CA -0.116 45.109 45.100 0.209 0.000 0.960 402 G HN 0.722 nan 8.290 nan 0.000 0.528 403 M N -3.040 116.624 119.600 0.107 0.000 3.012 403 M HA 0.747 5.227 4.480 -0.000 0.000 0.272 403 M C -1.149 175.056 176.300 -0.158 0.000 1.187 403 M CA -1.078 54.097 55.300 -0.208 0.000 0.813 403 M CB 1.629 34.135 32.600 -0.157 0.000 1.626 403 M HN 1.079 nan 8.290 nan 0.000 0.507 404 V N 1.222 121.019 119.914 -0.196 0.000 2.448 404 V HA 0.652 4.772 4.120 -0.000 0.000 0.295 404 V C -0.878 175.238 176.094 0.037 0.000 1.025 404 V CA -0.422 61.870 62.300 -0.014 0.000 0.859 404 V CB 1.690 33.514 31.823 0.001 0.000 0.988 404 V HN 0.775 nan 8.190 nan 0.000 0.431 405 K N 5.409 125.867 120.400 0.097 0.000 2.483 405 K HA 0.679 4.999 4.320 -0.000 0.000 0.256 405 K C -1.145 175.534 176.600 0.131 0.000 0.961 405 K CA -0.605 55.729 56.287 0.077 0.000 0.873 405 K CB 1.377 33.899 32.500 0.038 0.000 1.107 405 K HN 0.732 nan 8.250 nan 0.000 0.432 406 I N 2.766 123.376 120.570 0.067 0.000 2.474 406 I HA 0.478 4.648 4.170 -0.000 0.000 0.294 406 I C -1.601 174.541 176.117 0.041 0.000 1.005 406 I CA -0.683 60.654 61.300 0.062 0.000 1.113 406 I CB 1.380 39.352 38.000 -0.047 0.000 1.289 406 I HN 0.442 nan 8.210 nan 0.000 0.436 407 L N 6.268 127.515 121.223 0.040 0.000 2.341 407 L HA 0.964 5.304 4.340 -0.000 0.000 0.278 407 L C 0.267 177.153 176.870 0.027 0.000 1.005 407 L CA -0.642 54.192 54.840 -0.010 0.000 0.818 407 L CB 1.682 43.617 42.059 -0.207 0.000 1.259 407 L HN 0.933 nan 8.230 nan 0.000 0.418 408 G N 1.094 109.945 108.800 0.084 0.000 2.701 408 G HA2 0.426 4.386 3.960 -0.000 0.000 0.300 408 G HA3 0.426 4.386 3.960 -0.000 0.000 0.300 408 G C -1.257 173.721 174.900 0.130 0.000 1.410 408 G CA -0.593 44.558 45.100 0.086 0.000 1.014 408 G HN 0.551 nan 8.290 nan 0.000 0.509 409 Q N 1.369 121.238 119.800 0.114 0.000 2.478 409 Q HA -0.049 4.291 4.340 -0.000 0.000 0.323 409 Q C 1.581 177.630 176.000 0.083 0.000 1.087 409 Q CA 0.704 56.574 55.803 0.111 0.000 1.056 409 Q CB 0.622 29.408 28.738 0.081 0.000 1.018 409 Q HN 0.643 nan 8.270 nan 0.000 0.387 410 K N 2.389 122.833 120.400 0.073 0.000 2.103 410 K HA -0.220 4.100 4.320 -0.000 0.000 0.207 410 K C 1.499 178.114 176.600 0.025 0.000 1.048 410 K CA 1.806 58.114 56.287 0.035 0.000 0.930 410 K CB -0.005 32.493 32.500 -0.004 0.000 0.716 410 K HN 0.837 nan 8.250 nan 0.000 0.444 411 S N -0.472 115.244 115.700 0.026 0.000 2.345 411 S HA -0.117 4.353 4.470 -0.000 0.000 0.219 411 S C 2.056 176.672 174.600 0.027 0.000 1.031 411 S CA 1.460 59.672 58.200 0.021 0.000 0.984 411 S CB -0.644 62.567 63.200 0.019 0.000 0.874 411 S HN 0.499 nan 8.310 nan 0.000 0.451 412 T N -2.524 112.051 114.554 0.035 0.000 3.086 412 T HA 0.217 4.567 4.350 -0.000 0.000 0.250 412 T C 0.493 175.217 174.700 0.039 0.000 1.074 412 T CA 0.714 62.835 62.100 0.036 0.000 0.988 412 T CB -0.317 68.573 68.868 0.037 0.000 0.988 412 T HN 0.241 nan 8.240 nan 0.000 0.530 413 D N 0.706 121.132 120.400 0.043 0.000 2.978 413 D HA -0.178 4.462 4.640 -0.000 0.000 0.205 413 D C 0.177 176.503 176.300 0.044 0.000 1.093 413 D CA 0.959 54.985 54.000 0.043 0.000 1.006 413 D CB -1.156 39.667 40.800 0.039 0.000 1.116 413 D HN 0.654 nan 8.370 nan 0.000 0.419 414 R N 0.721 121.251 120.500 0.049 0.000 2.404 414 R HA 0.313 4.653 4.340 -0.000 0.000 0.315 414 R C -0.083 176.248 176.300 0.053 0.000 1.032 414 R CA -0.052 56.079 56.100 0.051 0.000 0.992 414 R CB 0.515 30.848 30.300 0.054 0.000 0.959 414 R HN 0.071 nan 8.270 nan 0.000 0.428 415 V N 7.032 126.974 119.914 0.047 0.000 2.509 415 V HA 0.055 4.175 4.120 -0.000 0.000 0.297 415 V C 0.464 176.591 176.094 0.054 0.000 1.014 415 V CA 0.445 62.772 62.300 0.044 0.000 1.127 415 V CB -0.031 31.811 31.823 0.032 0.000 0.925 415 V HN 0.938 nan 8.190 nan 0.000 0.480 416 L N 6.391 127.643 121.223 0.050 0.000 2.554 416 L HA 0.605 4.945 4.340 -0.000 0.000 0.225 416 L C 1.112 178.009 176.870 0.045 0.000 1.104 416 L CA 0.789 55.658 54.840 0.048 0.000 0.866 416 L CB -0.153 41.931 42.059 0.042 0.000 1.047 416 L HN 0.910 nan 8.230 nan 0.000 0.468 417 G N -0.294 108.533 108.800 0.046 0.000 2.691 417 G HA2 0.659 4.619 3.960 -0.000 0.000 0.298 417 G HA3 0.659 4.619 3.960 -0.000 0.000 0.298 417 G C -2.004 172.911 174.900 0.025 0.000 1.471 417 G CA 0.033 45.156 45.100 0.037 0.000 0.912 417 G HN -0.000 nan 8.290 nan 0.000 0.553 418 A N 2.137 124.872 122.820 -0.142 0.000 2.422 418 A HA 0.914 5.234 4.320 -0.000 0.000 0.302 418 A C -1.062 176.397 177.584 -0.208 0.000 1.041 418 A CA -0.736 51.303 52.037 0.003 0.000 0.708 418 A CB 1.378 20.502 19.000 0.206 0.000 1.257 418 A HN 0.811 nan 8.150 nan 0.000 0.414 419 H N 1.786 120.959 119.070 0.173 0.000 2.877 419 H HA 0.485 5.041 4.556 -0.000 0.000 0.347 419 H C -1.579 173.835 175.328 0.144 0.000 1.042 419 H CA -0.272 55.873 56.048 0.163 0.000 1.276 419 H CB 1.730 31.520 29.762 0.047 0.000 1.681 419 H HN 0.542 nan 8.280 nan 0.000 0.521 420 I N 3.882 124.601 120.570 0.248 0.000 2.447 420 I HA 0.137 4.307 4.170 -0.000 0.000 0.287 420 I C -0.933 175.282 176.117 0.164 0.000 1.023 420 I CA -0.651 60.782 61.300 0.221 0.000 1.083 420 I CB 2.239 40.369 38.000 0.216 0.000 1.245 420 I HN 0.194 nan 8.210 nan 0.000 0.434 421 L N 6.678 128.014 121.223 0.188 0.000 2.325 421 L HA 1.010 5.350 4.340 -0.000 0.000 0.281 421 L C 0.024 177.031 176.870 0.229 0.000 1.004 421 L CA 0.304 55.203 54.840 0.098 0.000 0.823 421 L CB 0.959 43.059 42.059 0.069 0.000 1.236 421 L HN 0.819 nan 8.230 nan 0.000 0.415 422 G N 4.489 113.300 108.800 0.020 0.000 2.346 422 G HA2 0.096 4.056 3.960 -0.000 0.000 0.294 422 G HA3 0.096 4.056 3.960 -0.000 0.000 0.294 422 G C -3.308 171.333 174.900 -0.430 0.000 1.294 422 G CA -0.667 44.328 45.100 -0.174 0.000 0.962 422 G HN 0.538 nan 8.290 nan 0.000 0.508 423 P HA 0.319 nan 4.420 nan 0.000 0.266 423 P C 1.042 178.137 177.300 -0.342 0.000 1.195 423 P CA 1.801 64.676 63.100 -0.376 0.000 0.768 423 P CB 0.717 32.233 31.700 -0.306 0.000 0.838 424 G N 2.813 111.521 108.800 -0.154 0.000 2.258 424 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.274 424 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.274 424 G C 1.113 175.953 174.900 -0.100 0.000 1.021 424 G CA 0.401 45.444 45.100 -0.096 0.000 0.798 424 G HN 0.723 nan 8.290 nan 0.000 0.507 425 A N -0.182 122.567 122.820 -0.118 0.000 1.940 425 A HA 0.217 4.537 4.320 -0.000 0.000 0.219 425 A C 2.791 180.302 177.584 -0.122 0.000 1.176 425 A CA 2.146 54.133 52.037 -0.083 0.000 0.631 425 A CB -0.821 18.129 19.000 -0.084 0.000 0.814 425 A HN 1.609 nan 8.150 nan 0.000 0.446 426 G N -0.907 107.808 108.800 -0.141 0.000 2.470 426 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.220 426 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.220 426 G C 1.414 176.249 174.900 -0.107 0.000 1.121 426 G CA 1.084 46.081 45.100 -0.171 0.000 0.766 426 G HN 0.483 nan 8.290 nan 0.000 0.553 427 E N -0.300 119.854 120.200 -0.078 0.000 2.075 427 E HA 0.117 4.467 4.350 -0.000 0.000 0.190 427 E C 2.409 178.938 176.600 -0.119 0.000 0.969 427 E CA 0.063 56.418 56.400 -0.074 0.000 0.815 427 E CB -0.517 29.157 29.700 -0.044 0.000 0.776 427 E HN 0.379 nan 8.360 nan 0.000 0.457 428 M N 0.753 120.275 119.600 -0.129 0.000 2.143 428 M HA -0.177 4.303 4.480 -0.000 0.000 0.258 428 M C 2.201 178.319 176.300 -0.303 0.000 1.071 428 M CA 1.059 56.233 55.300 -0.209 0.000 1.088 428 M CB -0.044 32.469 32.600 -0.144 0.000 1.360 428 M HN -0.032 nan 8.290 nan 0.000 0.404 429 V N 0.992 120.776 119.914 -0.217 0.000 2.594 429 V HA -0.253 3.867 4.120 -0.000 0.000 0.253 429 V C 1.678 177.656 176.094 -0.193 0.000 1.069 429 V CA 1.782 63.959 62.300 -0.205 0.000 1.082 429 V CB -0.706 31.000 31.823 -0.195 0.000 0.680 429 V HN 0.549 nan 8.190 nan 0.000 0.469 430 N N 0.016 118.608 118.700 -0.179 0.000 2.331 430 N HA -0.172 4.568 4.740 -0.000 0.000 0.180 430 N C 1.756 177.195 175.510 -0.118 0.000 1.019 430 N CA 1.405 54.370 53.050 -0.141 0.000 0.881 430 N CB -0.125 38.290 38.487 -0.120 0.000 0.972 430 N HN 0.708 nan 8.380 nan 0.000 0.435 431 E N 1.250 121.346 120.200 -0.172 0.000 2.051 431 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 431 E C 1.856 178.416 176.600 -0.068 0.000 0.991 431 E CA 1.066 57.382 56.400 -0.140 0.000 0.799 431 E CB 0.012 29.564 29.700 -0.247 0.000 0.748 431 E HN 0.278 nan 8.360 nan 0.000 0.449 432 A N 1.221 123.954 122.820 -0.145 0.000 1.933 432 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 432 A C 2.406 180.030 177.584 0.065 0.000 1.175 432 A CA 1.808 53.903 52.037 0.097 0.000 0.628 432 A CB -0.794 18.273 19.000 0.112 0.000 0.814 432 A HN 0.430 nan 8.150 nan 0.000 0.444 433 A N -0.499 122.313 122.820 -0.013 0.000 1.940 433 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 433 A C 2.119 179.708 177.584 0.008 0.000 1.176 433 A CA 1.797 53.824 52.037 -0.018 0.000 0.631 433 A CB -0.550 18.412 19.000 -0.063 0.000 0.814 433 A HN 0.733 nan 8.150 nan 0.000 0.446 434 L N -0.280 120.958 121.223 0.025 0.000 2.027 434 L HA 0.044 4.384 4.340 -0.000 0.000 0.206 434 L C 2.608 179.568 176.870 0.150 0.000 1.074 434 L CA 2.177 57.058 54.840 0.069 0.000 0.745 434 L CB -1.066 41.045 42.059 0.087 0.000 0.898 434 L HN 0.315 nan 8.230 nan 0.000 0.433 435 A N -0.311 122.610 122.820 0.168 0.000 1.940 435 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 435 A C 2.234 179.916 177.584 0.164 0.000 1.176 435 A CA 2.045 54.205 52.037 0.204 0.000 0.631 435 A CB -0.853 18.284 19.000 0.228 0.000 0.814 435 A HN 0.535 nan 8.150 nan 0.000 0.446 436 L N -0.858 120.431 121.223 0.110 0.000 2.156 436 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 436 L C 2.438 179.335 176.870 0.045 0.000 1.095 436 L CA 0.917 55.804 54.840 0.077 0.000 0.770 436 L CB -0.792 41.299 42.059 0.054 0.000 0.914 436 L HN 0.376 nan 8.230 nan 0.000 0.439 437 E N 0.121 120.323 120.200 0.002 0.000 2.118 437 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 437 E C 1.575 178.085 176.600 -0.151 0.000 0.992 437 E CA 1.441 57.782 56.400 -0.098 0.000 0.804 437 E CB -0.166 29.425 29.700 -0.181 0.000 0.741 437 E HN 0.501 nan 8.360 nan 0.000 0.458 438 Y N 0.151 120.472 120.300 0.036 0.000 2.462 438 Y HA 0.204 4.754 4.550 -0.000 0.000 0.293 438 Y C 1.465 177.386 175.900 0.036 0.000 1.195 438 Y CA 0.387 58.508 58.100 0.034 0.000 1.276 438 Y CB 0.197 38.677 38.460 0.033 0.000 1.082 438 Y HN 0.102 nan 8.280 nan 0.000 0.514 439 G N 0.507 109.391 108.800 0.139 0.000 2.258 439 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.274 439 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.274 439 G C 0.608 175.575 174.900 0.111 0.000 1.021 439 G CA 0.087 45.252 45.100 0.108 0.000 0.798 439 G HN 0.679 nan 8.290 nan 0.000 0.507 440 A N -0.261 122.639 122.820 0.132 0.000 2.547 440 A HA 0.557 4.877 4.320 -0.000 0.000 0.233 440 A C 1.146 178.774 177.584 0.073 0.000 1.067 440 A CA 1.115 53.215 52.037 0.105 0.000 0.763 440 A CB 0.209 19.281 19.000 0.121 0.000 1.007 440 A HN 2.089 nan 8.150 nan 0.000 0.506 441 S N 0.105 115.837 115.700 0.054 0.000 2.690 441 S HA 0.333 4.802 4.470 -0.000 0.000 0.291 441 S C 0.979 175.592 174.600 0.022 0.000 1.138 441 S CA -0.190 58.034 58.200 0.039 0.000 1.013 441 S CB 0.916 64.136 63.200 0.035 0.000 1.053 441 S HN 0.727 nan 8.310 nan 0.000 0.539 442 C N 0.614 119.920 119.300 0.010 0.000 2.425 442 C HA -0.014 4.446 4.460 -0.000 0.000 0.277 442 C C 2.671 177.649 174.990 -0.019 0.000 1.280 442 C CA 0.987 59.991 59.018 -0.022 0.000 1.744 442 C CB -1.537 26.194 27.740 -0.015 0.000 1.989 442 C HN 1.083 nan 8.230 nan 0.000 0.491 443 E N 0.914 121.118 120.200 0.007 0.000 2.118 443 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 443 E C 1.450 178.052 176.600 0.003 0.000 0.992 443 E CA 1.284 57.688 56.400 0.008 0.000 0.804 443 E CB -0.065 29.648 29.700 0.021 0.000 0.741 443 E HN 0.601 nan 8.360 nan 0.000 0.458 444 D N 0.562 120.970 120.400 0.013 0.000 2.097 444 D HA -0.175 4.465 4.640 -0.000 0.000 0.195 444 D C 1.972 178.292 176.300 0.033 0.000 0.989 444 D CA 0.847 54.859 54.000 0.019 0.000 0.827 444 D CB -0.150 40.667 40.800 0.028 0.000 0.966 444 D HN 0.249 nan 8.370 nan 0.000 0.456 445 I N 1.608 122.197 120.570 0.031 0.000 2.226 445 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 445 I C 2.607 178.731 176.117 0.011 0.000 1.100 445 I CA 0.531 61.866 61.300 0.058 0.000 1.374 445 I CB -1.539 36.445 38.000 -0.027 0.000 1.057 445 I HN -0.129 nan 8.210 nan 0.000 0.413 446 A N 0.935 123.724 122.820 -0.052 0.000 1.884 446 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 446 A C 2.484 180.049 177.584 -0.031 0.000 1.197 446 A CA 2.265 54.259 52.037 -0.072 0.000 0.637 446 A CB -0.680 18.283 19.000 -0.061 0.000 0.827 446 A HN 0.260 nan 8.150 nan 0.000 0.450 447 R N -0.726 119.770 120.500 -0.006 0.000 2.115 447 R HA 0.039 4.379 4.340 -0.000 0.000 0.230 447 R C 0.494 176.819 176.300 0.042 0.000 1.111 447 R CA 0.545 56.647 56.100 0.003 0.000 0.976 447 R CB -0.686 29.613 30.300 -0.002 0.000 0.870 447 R HN 0.347 nan 8.270 nan 0.000 0.445 448 V N 0.684 120.653 119.914 0.093 0.000 2.599 448 V HA -0.091 4.029 4.120 -0.000 0.000 0.300 448 V C 0.541 176.780 176.094 0.242 0.000 1.034 448 V CA -0.565 61.819 62.300 0.140 0.000 1.115 448 V CB 0.665 32.595 31.823 0.178 0.000 0.934 448 V HN 0.316 nan 8.190 nan 0.000 0.485 449 C N 7.250 126.630 119.300 0.132 0.000 2.499 449 C HA 0.369 4.829 4.460 -0.000 0.000 0.386 449 C C 0.286 175.367 174.990 0.153 0.000 1.293 449 C CA -0.409 58.693 59.018 0.141 0.000 1.884 449 C CB -1.283 26.491 27.740 0.056 0.000 2.509 449 C HN 0.923 nan 8.230 nan 0.000 0.566 450 H N 3.597 122.689 119.070 0.036 0.000 2.529 450 H HA 0.507 5.063 4.556 -0.000 0.000 0.348 450 H C 0.370 175.736 175.328 0.063 0.000 1.152 450 H CA -0.415 55.663 56.048 0.049 0.000 1.202 450 H CB 1.853 31.650 29.762 0.058 0.000 1.562 450 H HN 0.903 nan 8.280 nan 0.000 0.515 451 A N 2.059 124.961 122.820 0.135 0.000 2.483 451 A HA 0.036 4.356 4.320 -0.000 0.000 0.238 451 A C -0.327 177.355 177.584 0.163 0.000 1.070 451 A CA 0.362 52.466 52.037 0.112 0.000 0.770 451 A CB -0.233 18.802 19.000 0.058 0.000 1.008 451 A HN 0.834 nan 8.150 nan 0.000 0.497 452 H N 1.645 120.750 119.070 0.058 0.000 2.600 452 H HA 0.630 5.186 4.556 -0.000 0.000 0.357 452 H C -2.440 172.916 175.328 0.048 0.000 1.106 452 H CA -1.480 54.602 56.048 0.057 0.000 1.193 452 H CB 1.472 31.263 29.762 0.048 0.000 1.594 452 H HN 0.614 nan 8.280 nan 0.000 0.526 453 P HA 0.313 nan 4.420 nan 0.000 0.292 453 P C -1.350 175.844 177.300 -0.176 0.000 1.283 453 P CA -0.606 62.135 63.100 -0.598 0.000 0.835 453 P CB 1.772 33.135 31.700 -0.561 0.000 1.017 454 T N -0.636 113.857 114.554 -0.102 0.000 2.900 454 T HA 0.228 4.578 4.350 -0.000 0.000 0.303 454 T C 0.982 175.717 174.700 0.057 0.000 1.142 454 T CA -0.822 61.280 62.100 0.004 0.000 1.007 454 T CB 0.825 69.723 68.868 0.050 0.000 1.156 454 T HN -0.017 nan 8.240 nan 0.000 0.490 455 L N 1.233 122.506 121.223 0.084 0.000 2.189 455 L HA -0.061 4.279 4.340 -0.000 0.000 0.214 455 L C 2.604 179.628 176.870 0.257 0.000 1.097 455 L CA 1.523 56.472 54.840 0.182 0.000 0.764 455 L CB -1.710 40.394 42.059 0.075 0.000 0.900 455 L HN 0.917 nan 8.230 nan 0.000 0.436 456 S N -0.972 114.830 115.700 0.170 0.000 2.453 456 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 456 S C 1.786 176.495 174.600 0.181 0.000 1.005 456 S CA 0.583 58.905 58.200 0.202 0.000 0.949 456 S CB 0.062 63.393 63.200 0.219 0.000 0.774 456 S HN 0.491 nan 8.310 nan 0.000 0.510 457 E N 0.891 121.146 120.200 0.092 0.000 2.153 457 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 457 E C 2.273 178.734 176.600 -0.230 0.000 0.988 457 E CA 0.914 57.274 56.400 -0.067 0.000 0.811 457 E CB -0.239 29.447 29.700 -0.024 0.000 0.746 457 E HN 0.580 nan 8.360 nan 0.000 0.466 458 A N 0.716 123.472 122.820 -0.106 0.000 2.032 458 A HA -0.212 4.108 4.320 -0.000 0.000 0.221 458 A C 1.887 179.321 177.584 -0.251 0.000 1.165 458 A CA 1.272 53.145 52.037 -0.273 0.000 0.645 458 A CB -0.543 18.436 19.000 -0.035 0.000 0.807 458 A HN 0.401 nan 8.150 nan 0.000 0.453 459 F N -0.718 119.097 119.950 -0.226 0.000 2.446 459 F HA 0.166 4.693 4.527 -0.000 0.000 0.292 459 F C 2.166 177.825 175.800 -0.234 0.000 1.096 459 F CA 0.801 58.710 58.000 -0.152 0.000 1.438 459 F CB -0.119 38.865 39.000 -0.027 0.000 1.107 459 F HN 0.109 nan 8.300 nan 0.000 0.546 460 R N 0.917 121.251 120.500 -0.278 0.000 2.070 460 R HA -0.150 4.190 4.340 -0.000 0.000 0.233 460 R C 1.981 178.035 176.300 -0.411 0.000 1.137 460 R CA 1.989 57.805 56.100 -0.473 0.000 0.945 460 R CB -0.545 29.377 30.300 -0.630 0.000 0.845 460 R HN 0.330 nan 8.270 nan 0.000 0.430 461 E N -0.222 119.686 120.200 -0.487 0.000 2.265 461 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 461 E C 1.689 178.122 176.600 -0.279 0.000 0.996 461 E CA 0.965 57.079 56.400 -0.477 0.000 0.832 461 E CB 0.053 29.171 29.700 -0.970 0.000 0.756 461 E HN 0.422 nan 8.360 nan 0.000 0.491 462 A N 1.517 124.167 122.820 -0.283 0.000 1.970 462 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 462 A C 1.805 179.302 177.584 -0.144 0.000 1.170 462 A CA 0.720 52.697 52.037 -0.101 0.000 0.645 462 A CB -0.208 18.740 19.000 -0.086 0.000 0.816 462 A HN 0.159 nan 8.150 nan 0.000 0.447 463 N N -0.249 118.287 118.700 -0.273 0.000 2.409 463 N HA -0.077 4.663 4.740 -0.000 0.000 0.179 463 N C 1.474 176.931 175.510 -0.088 0.000 1.032 463 N CA 0.769 53.694 53.050 -0.209 0.000 0.898 463 N CB -0.072 38.241 38.487 -0.290 0.000 0.971 463 N HN 0.347 nan 8.380 nan 0.000 0.441 464 L N 1.781 122.956 121.223 -0.080 0.000 2.027 464 L HA 0.006 4.346 4.340 -0.000 0.000 0.206 464 L C 2.326 179.259 176.870 0.105 0.000 1.074 464 L CA 1.339 56.183 54.840 0.007 0.000 0.745 464 L CB -1.122 40.923 42.059 -0.023 0.000 0.898 464 L HN 0.025 nan 8.230 nan 0.000 0.433 465 A N -0.506 122.368 122.820 0.090 0.000 1.883 465 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 465 A C 2.454 180.088 177.584 0.083 0.000 1.186 465 A CA 2.146 54.256 52.037 0.122 0.000 0.624 465 A CB -1.216 17.874 19.000 0.149 0.000 0.822 465 A HN 0.541 nan 8.150 nan 0.000 0.444 466 A N -0.722 122.128 122.820 0.050 0.000 1.883 466 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 466 A C 2.555 180.168 177.584 0.049 0.000 1.186 466 A CA 2.538 54.600 52.037 0.042 0.000 0.624 466 A CB -0.923 18.089 19.000 0.020 0.000 0.822 466 A HN 0.734 nan 8.150 nan 0.000 0.444 467 S N -2.018 113.718 115.700 0.061 0.000 2.356 467 S HA 0.098 4.568 4.470 -0.000 0.000 0.219 467 S C 0.904 175.583 174.600 0.132 0.000 1.036 467 S CA 0.651 58.898 58.200 0.078 0.000 0.965 467 S CB -0.400 62.840 63.200 0.067 0.000 0.864 467 S HN 0.438 nan 8.310 nan 0.000 0.471 468 F N 1.010 120.955 119.950 -0.008 0.000 2.213 468 F HA 0.613 5.140 4.527 -0.000 0.000 0.297 468 F C 1.790 177.591 175.800 0.001 0.000 1.094 468 F CA -0.011 57.987 58.000 -0.004 0.000 1.121 468 F CB 0.041 39.037 39.000 -0.007 0.000 1.622 468 F HN 0.161 nan 8.300 nan 0.000 0.521 469 G N 0.450 108.731 108.800 -0.864 0.000 2.459 469 G HA2 0.002 3.962 3.960 -0.000 0.000 0.217 469 G HA3 0.002 3.962 3.960 -0.000 0.000 0.217 469 G C -0.229 174.627 174.900 -0.073 0.000 1.183 469 G CA 1.274 46.089 45.100 -0.476 0.000 0.776 469 G HN 0.653 nan 8.290 nan 0.000 0.552 470 K N -0.689 119.806 120.400 0.157 0.000 2.615 470 K HA 0.357 4.677 4.320 -0.000 0.000 0.291 470 K C -0.855 175.905 176.600 0.267 0.000 1.017 470 K CA -0.455 55.942 56.287 0.183 0.000 0.882 470 K CB 0.628 33.187 32.500 0.098 0.000 1.522 470 K HN 0.176 nan 8.250 nan 0.000 0.412 471 S N -0.091 115.751 115.700 0.237 0.000 2.624 471 S HA 0.287 4.757 4.470 -0.000 0.000 0.263 471 S C 1.205 175.926 174.600 0.203 0.000 1.287 471 S CA -0.655 57.678 58.200 0.222 0.000 0.990 471 S CB 0.462 63.877 63.200 0.358 0.000 0.950 471 S HN 0.510 nan 8.310 nan 0.000 0.561 472 I N 1.359 122.022 120.570 0.154 0.000 2.333 472 I HA 0.011 4.181 4.170 -0.000 0.000 0.246 472 I C 1.732 177.963 176.117 0.190 0.000 1.106 472 I CA 1.167 62.545 61.300 0.130 0.000 1.411 472 I CB -0.772 37.268 38.000 0.068 0.000 1.082 472 I HN 0.676 nan 8.210 nan 0.000 0.420 473 N N -1.242 117.641 118.700 0.304 0.000 2.398 473 N HA 0.062 4.802 4.740 -0.000 0.000 0.188 473 N C -0.046 175.718 175.510 0.422 0.000 1.122 473 N CA 0.172 53.440 53.050 0.362 0.000 0.866 473 N CB 0.341 39.078 38.487 0.416 0.000 0.970 473 N HN 0.135 nan 8.380 nan 0.000 0.462 474 F N 0.000 120.072 119.950 0.203 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 58.016 58.000 0.026 0.000 1.383 474 F CB 0.000 38.876 39.000 -0.207 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574