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 1b65_1_C DATA FIRST_RESID 9 DATA SEQUENCE KPRARDLGLP FTGVTGPYNA ITDVDGVGVG FQTIIENEPR PGRKRPARSG DATA SEQUENCE VTAILPHMQS ETPVPVYAGV HRFNGNGEMT GTHWIEDGGY FLGPVVITNT DATA SEQUENCE HGIGMAHHAT VRWMVDRYAS TYQTDDFLWI MPVVAETYDG ALNDINGFPV DATA SEQUENCE TEADVRKALD NVASGPVQEG NCGGGTGMIT YGFKGGTGTA SRVVEFGGRS DATA SEQUENCE FTIGALVQAN HGQRDWLTIA GVPVGQHMRD GTPQSQLXXX XSIIVVLATD DATA SEQUENCE LPLMPHQLKR LARRASIGIG RNGTPGGNNS GDIFIAFSTA NQRPMQHRSA DATA SEQUENCE PFLDVEMVND EPLDTVYLAA VDSVEEAVVN AMIAAEDMGG TPFDRLLVQA DATA SEQUENCE IDHERLRAVL RQYGRLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.626 176.600 0.043 0.000 0.988 9 K CA 0.000 56.313 56.287 0.044 0.000 0.838 9 K CB 0.000 32.522 32.500 0.037 0.000 1.064 10 P HA 0.200 nan 4.420 nan 0.000 0.269 10 P C -0.591 176.710 177.300 0.001 0.000 1.209 10 P CA -0.194 62.921 63.100 0.026 0.000 0.776 10 P CB 0.942 32.659 31.700 0.029 0.000 0.876 11 R N 0.393 120.885 120.500 -0.013 0.000 2.867 11 R HA 0.568 4.910 4.340 0.004 0.000 0.227 11 R C 1.595 177.866 176.300 -0.048 0.000 1.372 11 R CA -0.479 55.603 56.100 -0.030 0.000 1.083 11 R CB 0.070 30.358 30.300 -0.021 0.000 1.596 11 R HN 0.454 nan 8.270 nan 0.000 0.522 12 A N 0.894 123.691 122.820 -0.039 0.000 1.908 12 A HA -0.195 4.127 4.320 0.004 0.000 0.218 12 A C 2.041 179.681 177.584 0.094 0.000 1.181 12 A CA 1.552 53.606 52.037 0.028 0.000 0.627 12 A CB -0.491 18.591 19.000 0.137 0.000 0.818 12 A HN 0.606 nan 8.150 nan 0.000 0.445 13 R N -0.193 120.364 120.500 0.095 0.000 2.096 13 R HA -0.119 4.223 4.340 0.004 0.000 0.235 13 R C 1.452 177.781 176.300 0.050 0.000 1.127 13 R CA 1.391 57.559 56.100 0.114 0.000 0.968 13 R CB -0.410 29.939 30.300 0.081 0.000 0.861 13 R HN 0.531 nan 8.270 nan 0.000 0.440 14 D N 0.738 121.150 120.400 0.020 0.000 2.218 14 D HA -0.130 4.512 4.640 0.004 0.000 0.204 14 D C 1.598 177.895 176.300 -0.004 0.000 0.976 14 D CA 1.028 55.032 54.000 0.007 0.000 0.853 14 D CB 0.051 40.853 40.800 0.003 0.000 0.939 14 D HN 0.285 nan 8.370 nan 0.000 0.481 15 L N -0.564 120.645 121.223 -0.024 0.000 2.591 15 L HA 0.174 4.517 4.340 0.004 0.000 0.228 15 L C 1.543 178.400 176.870 -0.022 0.000 1.133 15 L CA 0.395 55.211 54.840 -0.040 0.000 0.880 15 L CB -0.036 41.959 42.059 -0.108 0.000 1.033 15 L HN 0.091 nan 8.230 nan 0.000 0.450 16 G N -0.052 108.745 108.800 -0.005 0.000 2.176 16 G HA2 -0.233 3.729 3.960 0.004 0.000 0.232 16 G HA3 -0.233 3.729 3.960 0.004 0.000 0.232 16 G C -0.018 174.865 174.900 -0.028 0.000 0.986 16 G CA -0.519 44.574 45.100 -0.010 0.000 0.643 16 G HN 0.104 nan 8.290 nan 0.000 0.522 17 L N 2.045 123.255 121.223 -0.021 0.000 2.456 17 L HA 0.371 4.713 4.340 0.004 0.000 0.272 17 L C -1.110 175.668 176.870 -0.154 0.000 1.189 17 L CA -1.155 53.619 54.840 -0.109 0.000 0.846 17 L CB 0.190 42.194 42.059 -0.091 0.000 1.111 17 L HN 0.012 nan 8.230 nan 0.000 0.475 18 P HA 0.102 nan 4.420 nan 0.000 0.220 18 P C -0.661 176.451 177.300 -0.313 0.000 1.806 18 P CA -0.214 62.752 63.100 -0.224 0.000 0.976 18 P CB -0.354 31.235 31.700 -0.185 0.000 1.952 19 F N 1.284 121.220 119.950 -0.022 0.000 2.429 19 F HA 0.106 4.635 4.527 0.004 0.000 0.348 19 F C 1.590 177.382 175.800 -0.013 0.000 1.109 19 F CA 0.044 58.033 58.000 -0.018 0.000 1.232 19 F CB 0.158 39.147 39.000 -0.019 0.000 1.157 19 F HN 0.018 nan 8.300 nan 0.000 0.564 20 T N 1.777 116.467 114.554 0.227 0.000 2.510 20 T HA 0.232 4.585 4.350 0.004 0.000 0.218 20 T C 0.741 175.509 174.700 0.112 0.000 1.031 20 T CA 0.017 62.212 62.100 0.158 0.000 1.169 20 T CB -0.985 68.026 68.868 0.239 0.000 1.007 20 T HN 1.308 nan 8.240 nan 0.000 0.462 21 G N 2.376 111.217 108.800 0.068 0.000 2.750 21 G HA2 -0.138 3.824 3.960 0.004 0.000 0.333 21 G HA3 -0.138 3.824 3.960 0.004 0.000 0.333 21 G C -0.077 174.844 174.900 0.035 0.000 1.363 21 G CA -0.444 44.684 45.100 0.046 0.000 0.919 21 G HN 1.611 nan 8.290 nan 0.000 0.559 22 V N 1.542 121.470 119.914 0.023 0.000 2.488 22 V HA 0.507 4.629 4.120 0.004 0.000 0.277 22 V C 1.330 177.426 176.094 0.004 0.000 1.046 22 V CA 0.345 62.651 62.300 0.011 0.000 0.986 22 V CB 0.548 32.376 31.823 0.007 0.000 0.989 22 V HN 1.290 nan 8.190 nan 0.000 0.475 23 T N 2.670 117.221 114.554 -0.006 0.000 2.881 23 T HA 0.660 5.013 4.350 0.004 0.000 0.278 23 T C 0.582 175.267 174.700 -0.024 0.000 0.982 23 T CA -0.030 62.060 62.100 -0.016 0.000 0.989 23 T CB 1.594 70.448 68.868 -0.023 0.000 1.058 23 T HN 0.841 nan 8.240 nan 0.000 0.529 24 G N 0.302 109.088 108.800 -0.024 0.000 2.588 24 G HA2 0.466 4.428 3.960 0.004 0.000 0.281 24 G HA3 0.466 4.428 3.960 0.004 0.000 0.281 24 G C -1.656 173.194 174.900 -0.083 0.000 1.236 24 G CA -1.516 43.560 45.100 -0.040 0.000 0.969 24 G HN 0.548 nan 8.290 nan 0.000 0.504 25 P HA -0.104 nan 4.420 nan 0.000 0.215 25 P C 0.695 177.754 177.300 -0.401 0.000 1.153 25 P CA 1.344 64.239 63.100 -0.342 0.000 0.853 25 P CB 0.040 31.432 31.700 -0.513 0.000 0.788 26 Y N -2.504 117.795 120.300 -0.002 0.000 2.462 26 Y HA 0.211 4.764 4.550 0.004 0.000 0.261 26 Y C 0.741 176.636 175.900 -0.008 0.000 1.146 26 Y CA -0.443 57.657 58.100 -0.001 0.000 1.283 26 Y CB -1.025 37.439 38.460 0.006 0.000 1.090 26 Y HN -0.074 nan 8.280 nan 0.000 0.526 27 N N 0.598 119.346 118.700 0.080 0.000 2.714 27 N HA -0.169 4.574 4.740 0.004 0.000 0.253 27 N C -0.885 174.650 175.510 0.043 0.000 1.024 27 N CA 0.749 53.817 53.050 0.030 0.000 0.726 27 N CB -0.968 37.517 38.487 -0.003 0.000 0.908 27 N HN 0.447 nan 8.380 nan 0.000 0.542 28 A N 0.070 122.932 122.820 0.070 0.000 2.588 28 A HA 0.625 4.947 4.320 0.004 0.000 0.290 28 A C 0.976 178.588 177.584 0.048 0.000 1.136 28 A CA -0.258 51.814 52.037 0.059 0.000 0.681 28 A CB 0.234 19.285 19.000 0.084 0.000 1.282 28 A HN 0.233 nan 8.150 nan 0.000 0.421 29 I N 0.399 120.988 120.570 0.032 0.000 2.614 29 I HA -0.137 4.035 4.170 0.004 0.000 0.258 29 I C 2.140 178.276 176.117 0.032 0.000 1.189 29 I CA 2.159 63.468 61.300 0.016 0.000 1.462 29 I CB 0.127 38.135 38.000 0.014 0.000 1.092 29 I HN 0.813 nan 8.210 nan 0.000 0.442 30 T N -3.104 111.478 114.554 0.046 0.000 3.163 30 T HA -0.067 4.285 4.350 0.004 0.000 0.260 30 T C 1.290 176.054 174.700 0.107 0.000 1.156 30 T CA 0.554 62.687 62.100 0.055 0.000 1.072 30 T CB -0.459 68.418 68.868 0.015 0.000 0.937 30 T HN 0.287 nan 8.240 nan 0.000 0.528 31 D N 1.279 121.746 120.400 0.111 0.000 2.310 31 D HA 0.031 4.673 4.640 0.004 0.000 0.212 31 D C 0.408 176.741 176.300 0.056 0.000 0.965 31 D CA 0.320 54.379 54.000 0.098 0.000 0.879 31 D CB -0.031 40.806 40.800 0.063 0.000 0.921 31 D HN 0.321 nan 8.370 nan 0.000 0.510 32 V N 3.999 123.937 119.914 0.039 0.000 2.427 32 V HA -0.012 4.110 4.120 0.004 0.000 0.268 32 V C 0.390 176.507 176.094 0.038 0.000 1.046 32 V CA -0.928 61.388 62.300 0.026 0.000 0.970 32 V CB 0.891 32.709 31.823 -0.007 0.000 1.001 32 V HN 0.155 nan 8.190 nan 0.000 0.476 33 D N 4.360 124.785 120.400 0.042 0.000 2.533 33 D HA 0.083 4.726 4.640 0.004 0.000 0.236 33 D C 1.098 177.420 176.300 0.037 0.000 1.137 33 D CA 0.721 54.750 54.000 0.048 0.000 0.867 33 D CB 1.052 41.883 40.800 0.052 0.000 1.170 33 D HN 0.947 nan 8.370 nan 0.000 0.474 34 G N 1.370 110.199 108.800 0.047 0.000 2.179 34 G HA2 -0.243 3.719 3.960 0.004 0.000 0.260 34 G HA3 -0.243 3.719 3.960 0.004 0.000 0.260 34 G C 0.194 175.110 174.900 0.027 0.000 0.977 34 G CA 0.271 45.400 45.100 0.049 0.000 0.641 34 G HN 0.655 nan 8.290 nan 0.000 0.533 35 V N 1.211 121.144 119.914 0.031 0.000 2.406 35 V HA 0.675 4.797 4.120 0.004 0.000 0.272 35 V C 1.035 177.152 176.094 0.038 0.000 1.043 35 V CA 0.278 62.612 62.300 0.056 0.000 0.915 35 V CB 1.283 33.168 31.823 0.103 0.000 0.988 35 V HN 0.724 nan 8.190 nan 0.000 0.466 36 G N 3.586 112.403 108.800 0.028 0.000 2.432 36 G HA2 0.668 4.630 3.960 0.004 0.000 0.331 36 G HA3 0.668 4.630 3.960 0.004 0.000 0.331 36 G C -1.269 173.593 174.900 -0.063 0.000 1.170 36 G CA -0.513 44.578 45.100 -0.015 0.000 0.943 36 G HN 0.543 nan 8.290 nan 0.000 0.483 37 V N 0.003 119.833 119.914 -0.140 0.000 2.656 37 V HA 0.889 5.011 4.120 0.004 0.000 0.307 37 V C 0.444 176.297 176.094 -0.401 0.000 1.051 37 V CA -0.302 61.826 62.300 -0.288 0.000 0.893 37 V CB 1.900 33.519 31.823 -0.339 0.000 0.999 37 V HN 1.143 nan 8.190 nan 0.000 0.426 38 G N 2.580 111.075 108.800 -0.507 0.000 2.620 38 G HA2 0.782 4.745 3.960 0.004 0.000 0.301 38 G HA3 0.782 4.745 3.960 0.004 0.000 0.301 38 G C -1.849 172.765 174.900 -0.477 0.000 1.347 38 G CA -0.374 44.480 45.100 -0.410 0.000 0.971 38 G HN 0.313 nan 8.290 nan 0.000 0.488 39 F N -0.379 119.550 119.950 -0.036 0.000 2.576 39 F HA 0.668 5.197 4.527 0.004 0.000 0.313 39 F C -0.036 175.746 175.800 -0.030 0.000 1.078 39 F CA -0.985 56.996 58.000 -0.031 0.000 0.921 39 F CB 3.084 42.072 39.000 -0.020 0.000 1.232 39 F HN 0.401 nan 8.300 nan 0.000 0.459 40 Q N 1.546 121.460 119.800 0.190 0.000 2.309 40 Q HA 0.546 4.888 4.340 0.004 0.000 0.270 40 Q C -1.517 174.526 176.000 0.072 0.000 1.023 40 Q CA -0.255 55.605 55.803 0.094 0.000 0.758 40 Q CB 1.867 30.633 28.738 0.048 0.000 1.247 40 Q HN 0.657 nan 8.270 nan 0.000 0.455 41 T N 5.291 119.870 114.554 0.041 0.000 2.792 41 T HA 0.609 4.961 4.350 0.004 0.000 0.280 41 T C -0.369 174.329 174.700 -0.002 0.000 0.990 41 T CA -0.361 61.740 62.100 0.001 0.000 0.960 41 T CB 0.432 69.279 68.868 -0.036 0.000 0.939 41 T HN 0.582 nan 8.240 nan 0.000 0.439 42 I N 4.377 124.942 120.570 -0.008 0.000 2.390 42 I HA 0.460 4.632 4.170 0.004 0.000 0.283 42 I C -0.588 175.518 176.117 -0.019 0.000 1.016 42 I CA -0.437 60.858 61.300 -0.009 0.000 1.151 42 I CB 0.965 38.961 38.000 -0.006 0.000 1.293 42 I HN 0.474 nan 8.210 nan 0.000 0.458 43 I N 6.418 126.978 120.570 -0.017 0.000 2.448 43 I HA 0.353 4.525 4.170 0.004 0.000 0.281 43 I C -0.446 175.662 176.117 -0.014 0.000 1.027 43 I CA -0.334 60.955 61.300 -0.018 0.000 1.111 43 I CB 1.307 39.295 38.000 -0.019 0.000 1.236 43 I HN 0.550 nan 8.210 nan 0.000 0.452 44 E N 4.954 125.143 120.200 -0.018 0.000 2.227 44 E HA 0.414 4.766 4.350 0.004 0.000 0.268 44 E C -0.256 176.337 176.600 -0.011 0.000 0.907 44 E CA -0.693 55.696 56.400 -0.019 0.000 0.786 44 E CB 1.929 31.609 29.700 -0.033 0.000 1.191 44 E HN 0.416 nan 8.360 nan 0.000 0.411 45 N N 1.745 120.446 118.700 0.002 0.000 2.200 45 N HA 0.026 4.768 4.740 0.004 0.000 0.224 45 N C -0.999 174.549 175.510 0.063 0.000 1.179 45 N CA 0.209 53.286 53.050 0.045 0.000 0.877 45 N CB 0.841 39.365 38.487 0.061 0.000 1.072 45 N HN 0.586 nan 8.380 nan 0.000 0.519 46 E N 0.428 120.590 120.200 -0.063 0.000 2.314 46 E HA 0.483 4.835 4.350 0.004 0.000 0.272 46 E C -3.074 173.319 176.600 -0.344 0.000 0.884 46 E CA -1.979 54.260 56.400 -0.270 0.000 0.753 46 E CB 2.271 31.887 29.700 -0.139 0.000 1.213 46 E HN -0.228 nan 8.360 nan 0.000 0.432 47 P HA 0.084 nan 4.420 nan 0.000 0.269 47 P C -0.682 176.490 177.300 -0.213 0.000 1.209 47 P CA -0.111 62.772 63.100 -0.362 0.000 0.776 47 P CB 0.480 31.923 31.700 -0.429 0.000 0.876 48 R N 3.052 123.474 120.500 -0.131 0.000 2.615 48 R HA 0.279 4.621 4.340 0.004 0.000 0.270 48 R C -2.042 174.215 176.300 -0.070 0.000 1.081 48 R CA -1.608 54.444 56.100 -0.079 0.000 1.154 48 R CB -0.845 29.428 30.300 -0.046 0.000 1.063 48 R HN 0.366 nan 8.270 nan 0.000 0.519 49 P HA -0.065 nan 4.420 nan 0.000 0.261 49 P C 0.457 177.743 177.300 -0.024 0.000 1.183 49 P CA 1.215 64.295 63.100 -0.034 0.000 0.761 49 P CB 0.422 32.110 31.700 -0.020 0.000 0.785 50 G N 1.948 110.735 108.800 -0.022 0.000 2.176 50 G HA2 -0.210 3.752 3.960 0.004 0.000 0.253 50 G HA3 -0.210 3.752 3.960 0.004 0.000 0.253 50 G C 0.277 175.170 174.900 -0.011 0.000 0.979 50 G CA -0.352 44.742 45.100 -0.010 0.000 0.641 50 G HN 0.506 nan 8.290 nan 0.000 0.530 51 R N -0.225 120.256 120.500 -0.031 0.000 2.758 51 R HA 0.680 5.022 4.340 0.004 0.000 0.265 51 R C 0.941 177.208 176.300 -0.056 0.000 1.016 51 R CA -0.620 55.459 56.100 -0.036 0.000 1.040 51 R CB 0.764 31.036 30.300 -0.046 0.000 1.152 51 R HN 0.269 nan 8.270 nan 0.000 0.503 52 K N 0.761 121.138 120.400 -0.039 0.000 2.391 52 K HA 0.249 4.571 4.320 0.004 0.000 0.197 52 K C 0.234 176.815 176.600 -0.032 0.000 1.087 52 K CA 0.257 56.533 56.287 -0.019 0.000 1.012 52 K CB 0.947 33.468 32.500 0.035 0.000 0.925 52 K HN 0.245 nan 8.250 nan 0.000 0.547 53 R N 1.321 121.789 120.500 -0.054 0.000 2.803 53 R HA 0.348 4.690 4.340 0.004 0.000 0.276 53 R C -2.830 173.411 176.300 -0.098 0.000 0.978 53 R CA -2.149 53.928 56.100 -0.039 0.000 0.939 53 R CB 1.314 31.607 30.300 -0.012 0.000 1.179 53 R HN -0.143 nan 8.270 nan 0.000 0.472 54 P HA 0.140 nan 4.420 nan 0.000 0.276 54 P C -1.172 176.088 177.300 -0.067 0.000 1.252 54 P CA -0.487 62.556 63.100 -0.096 0.000 0.802 54 P CB 0.781 32.449 31.700 -0.053 0.000 1.035 55 A N 2.393 125.175 122.820 -0.063 0.000 2.274 55 A HA 0.593 4.916 4.320 0.004 0.000 0.309 55 A C -0.193 177.363 177.584 -0.045 0.000 1.226 55 A CA -0.368 51.637 52.037 -0.054 0.000 0.853 55 A CB -0.094 18.881 19.000 -0.043 0.000 1.146 55 A HN 0.420 nan 8.150 nan 0.000 0.518 56 R N 1.727 122.196 120.500 -0.053 0.000 2.545 56 R HA 0.609 4.951 4.340 0.004 0.000 0.289 56 R C -0.451 175.815 176.300 -0.056 0.000 1.327 56 R CA 0.109 56.181 56.100 -0.046 0.000 1.040 56 R CB 1.662 31.936 30.300 -0.043 0.000 1.176 56 R HN 0.775 nan 8.270 nan 0.000 0.518 57 S N 0.268 115.942 115.700 -0.043 0.000 2.815 57 S HA 0.925 5.397 4.470 0.004 0.000 0.296 57 S C -1.102 173.487 174.600 -0.018 0.000 1.224 57 S CA -0.080 58.095 58.200 -0.041 0.000 0.938 57 S CB 1.526 64.695 63.200 -0.050 0.000 1.285 57 S HN 0.695 nan 8.310 nan 0.000 0.549 58 G N -0.400 108.399 108.800 -0.002 0.000 2.336 58 G HA2 0.468 4.430 3.960 0.004 0.000 0.286 58 G HA3 0.468 4.430 3.960 0.004 0.000 0.286 58 G C -2.163 172.762 174.900 0.041 0.000 1.269 58 G CA 0.206 45.319 45.100 0.022 0.000 0.873 58 G HN 1.240 nan 8.290 nan 0.000 0.494 59 V N -0.183 119.772 119.914 0.069 0.000 2.808 59 V HA 0.755 4.877 4.120 0.004 0.000 0.308 59 V C -0.397 175.775 176.094 0.129 0.000 1.099 59 V CA -0.610 61.731 62.300 0.069 0.000 0.920 59 V CB 2.022 33.862 31.823 0.029 0.000 1.014 59 V HN 0.940 nan 8.190 nan 0.000 0.425 60 T N 3.293 117.915 114.554 0.114 0.000 2.829 60 T HA 0.810 5.163 4.350 0.004 0.000 0.280 60 T C -0.330 174.344 174.700 -0.043 0.000 0.999 60 T CA -0.309 61.859 62.100 0.113 0.000 0.983 60 T CB 1.707 70.695 68.868 0.200 0.000 0.968 60 T HN 1.047 nan 8.240 nan 0.000 0.446 61 A N 3.208 125.930 122.820 -0.164 0.000 2.371 61 A HA 0.847 5.169 4.320 0.004 0.000 0.311 61 A C -0.945 176.543 177.584 -0.161 0.000 1.068 61 A CA -0.684 51.255 52.037 -0.162 0.000 0.744 61 A CB 0.723 19.585 19.000 -0.230 0.000 1.239 61 A HN 0.831 nan 8.150 nan 0.000 0.435 62 I N 2.784 123.311 120.570 -0.073 0.000 2.410 62 I HA 0.347 4.519 4.170 0.004 0.000 0.286 62 I C -0.795 175.336 176.117 0.024 0.000 1.009 62 I CA -0.176 61.119 61.300 -0.008 0.000 1.111 62 I CB 1.551 39.605 38.000 0.090 0.000 1.262 62 I HN 0.528 nan 8.210 nan 0.000 0.443 63 L N 8.794 130.030 121.223 0.022 0.000 2.319 63 L HA 0.594 4.936 4.340 0.004 0.000 0.281 63 L C -2.459 174.439 176.870 0.048 0.000 1.005 63 L CA -1.702 53.169 54.840 0.051 0.000 0.828 63 L CB 2.276 44.385 42.059 0.084 0.000 1.227 63 L HN 0.253 nan 8.230 nan 0.000 0.415 64 P HA 0.163 nan 4.420 nan 0.000 0.274 64 P C -0.698 176.593 177.300 -0.016 0.000 1.231 64 P CA 0.166 63.209 63.100 -0.095 0.000 0.790 64 P CB 0.328 31.848 31.700 -0.300 0.000 0.951 65 H N 0.527 119.628 119.070 0.051 0.000 2.677 65 H HA -0.151 4.407 4.556 0.004 0.000 0.321 65 H C 1.210 176.583 175.328 0.076 0.000 1.171 65 H CA 1.010 57.083 56.048 0.042 0.000 1.139 65 H CB -1.708 28.052 29.762 -0.004 0.000 1.515 65 H HN 0.574 nan 8.280 nan 0.000 0.423 66 M N -1.109 118.587 119.600 0.159 0.000 2.446 66 M HA -0.124 4.358 4.480 0.004 0.000 0.263 66 M C 2.112 178.500 176.300 0.147 0.000 1.066 66 M CA 2.051 57.447 55.300 0.159 0.000 1.087 66 M CB -0.082 32.585 32.600 0.112 0.000 1.406 66 M HN 0.299 nan 8.290 nan 0.000 0.459 67 Q N 1.091 120.968 119.800 0.128 0.000 2.331 67 Q HA 0.090 4.433 4.340 0.004 0.000 0.203 67 Q C 0.683 176.739 176.000 0.094 0.000 0.944 67 Q CA 0.925 56.785 55.803 0.095 0.000 0.892 67 Q CB -0.332 28.453 28.738 0.078 0.000 0.983 67 Q HN 0.524 nan 8.270 nan 0.000 0.482 68 S N 0.910 116.682 115.700 0.121 0.000 2.560 68 S HA -0.007 4.465 4.470 0.004 0.000 0.284 68 S C 0.702 175.385 174.600 0.138 0.000 1.327 68 S CA -0.154 58.100 58.200 0.090 0.000 1.055 68 S CB 0.731 63.960 63.200 0.047 0.000 0.868 68 S HN 0.387 nan 8.310 nan 0.000 0.506 69 E N 1.474 121.723 120.200 0.082 0.000 2.371 69 E HA 0.011 4.363 4.350 0.004 0.000 0.194 69 E C 0.578 177.295 176.600 0.194 0.000 1.012 69 E CA 0.621 57.080 56.400 0.098 0.000 0.860 69 E CB 0.182 29.898 29.700 0.026 0.000 0.811 69 E HN 0.803 nan 8.360 nan 0.000 0.502 70 T N -0.845 113.763 114.554 0.090 0.000 2.924 70 T HA 0.434 4.786 4.350 0.004 0.000 0.291 70 T C -2.914 171.619 174.700 -0.278 0.000 1.045 70 T CA -2.659 59.405 62.100 -0.060 0.000 1.015 70 T CB 1.954 70.742 68.868 -0.132 0.000 1.103 70 T HN -0.307 nan 8.240 nan 0.000 0.496 71 P HA 0.373 nan 4.420 nan 0.000 0.271 71 P C -0.982 176.135 177.300 -0.305 0.000 1.216 71 P CA -0.455 62.302 63.100 -0.572 0.000 0.771 71 P CB 0.531 31.913 31.700 -0.529 0.000 0.864 72 V N 6.069 125.843 119.914 -0.234 0.000 2.409 72 V HA 0.321 4.443 4.120 0.004 0.000 0.291 72 V C -2.182 173.760 176.094 -0.253 0.000 1.020 72 V CA -2.231 59.917 62.300 -0.254 0.000 0.848 72 V CB 1.505 33.134 31.823 -0.324 0.000 0.990 72 V HN 0.470 nan 8.190 nan 0.000 0.430 73 P HA 0.116 nan 4.420 nan 0.000 0.265 73 P C -0.668 176.358 177.300 -0.456 0.000 1.193 73 P CA 0.199 63.026 63.100 -0.455 0.000 0.765 73 P CB 0.701 31.893 31.700 -0.846 0.000 0.823 74 V N 5.522 125.159 119.914 -0.462 0.000 2.444 74 V HA 0.250 4.373 4.120 0.004 0.000 0.294 74 V C -0.536 175.401 176.094 -0.262 0.000 1.022 74 V CA -0.677 61.399 62.300 -0.374 0.000 0.850 74 V CB 0.568 32.081 31.823 -0.517 0.000 0.992 74 V HN 0.372 nan 8.190 nan 0.000 0.426 75 Y N 3.585 123.925 120.300 0.068 0.000 2.597 75 Y HA 0.497 5.049 4.550 0.003 0.000 0.336 75 Y C 0.707 176.722 175.900 0.192 0.000 1.216 75 Y CA 0.830 59.013 58.100 0.138 0.000 1.463 75 Y CB 0.686 39.200 38.460 0.091 0.000 1.303 75 Y HN 0.773 nan 8.280 nan 0.000 0.576 76 A N 0.974 124.025 122.820 0.383 0.000 2.588 76 A HA 0.919 5.241 4.320 0.004 0.000 0.290 76 A C -0.598 177.146 177.584 0.267 0.000 1.136 76 A CA -0.202 52.066 52.037 0.385 0.000 0.681 76 A CB 1.461 20.806 19.000 0.575 0.000 1.282 76 A HN 0.985 nan 8.150 nan 0.000 0.421 77 G N -1.084 107.859 108.800 0.239 0.000 2.733 77 G HA2 0.629 4.591 3.960 0.004 0.000 0.297 77 G HA3 0.629 4.591 3.960 0.004 0.000 0.297 77 G C -1.786 173.216 174.900 0.170 0.000 1.422 77 G CA -0.364 44.838 45.100 0.169 0.000 0.942 77 G HN 1.153 nan 8.290 nan 0.000 0.510 78 V N 1.282 121.281 119.914 0.143 0.000 2.769 78 V HA 0.580 4.702 4.120 0.004 0.000 0.312 78 V C -0.739 175.470 176.094 0.191 0.000 1.061 78 V CA -0.830 61.553 62.300 0.138 0.000 0.931 78 V CB 2.089 33.948 31.823 0.059 0.000 1.010 78 V HN 0.874 nan 8.190 nan 0.000 0.433 79 H N 4.329 123.446 119.070 0.079 0.000 2.727 79 H HA 0.435 4.993 4.556 0.004 0.000 0.330 79 H C -0.531 174.729 175.328 -0.113 0.000 0.986 79 H CA -0.790 55.290 56.048 0.052 0.000 1.251 79 H CB 1.243 31.121 29.762 0.194 0.000 1.493 79 H HN 0.621 nan 8.280 nan 0.000 0.515 80 R N 5.400 125.569 120.500 -0.552 0.000 2.296 80 R HA 0.018 4.360 4.340 0.004 0.000 0.327 80 R C -0.086 175.762 176.300 -0.754 0.000 1.137 80 R CA -0.281 55.496 56.100 -0.537 0.000 1.020 80 R CB -0.066 30.061 30.300 -0.288 0.000 1.110 80 R HN 0.546 nan 8.270 nan 0.000 0.499 81 F N 3.354 122.750 119.950 -0.923 0.000 2.128 81 F HA 0.060 4.589 4.527 0.004 0.000 0.295 81 F C 0.401 176.029 175.800 -0.287 0.000 1.100 81 F CA 1.087 58.759 58.000 -0.547 0.000 1.260 81 F CB 0.320 39.121 39.000 -0.331 0.000 1.009 81 F HN 0.422 nan 8.300 nan 0.000 0.476 82 N N -0.419 118.147 118.700 -0.224 0.000 2.533 82 N HA 0.163 4.906 4.740 0.004 0.000 0.289 82 N C 0.090 175.514 175.510 -0.144 0.000 1.103 82 N CA 0.205 53.132 53.050 -0.204 0.000 0.877 82 N CB 1.428 39.859 38.487 -0.093 0.000 1.419 82 N HN 0.229 nan 8.380 nan 0.000 0.517 83 G N 2.086 110.797 108.800 -0.148 0.000 3.295 83 G HA2 -0.130 3.832 3.960 0.004 0.000 0.231 83 G HA3 -0.130 3.832 3.960 0.004 0.000 0.231 83 G C 0.575 175.430 174.900 -0.074 0.000 1.277 83 G CA -0.164 44.867 45.100 -0.115 0.000 1.013 83 G HN 0.532 nan 8.290 nan 0.000 0.509 84 N N 1.295 119.960 118.700 -0.058 0.000 3.259 84 N HA 0.344 5.086 4.740 0.004 0.000 0.308 84 N C 0.450 175.941 175.510 -0.031 0.000 1.334 84 N CA 0.412 53.437 53.050 -0.042 0.000 1.202 84 N CB 0.074 38.539 38.487 -0.036 0.000 1.485 84 N HN 0.338 nan 8.380 nan 0.000 0.549 85 G N -0.294 108.489 108.800 -0.029 0.000 2.441 85 G HA2 0.282 4.245 3.960 0.004 0.000 0.294 85 G HA3 0.282 4.245 3.960 0.004 0.000 0.294 85 G C -1.861 173.032 174.900 -0.012 0.000 1.393 85 G CA -0.506 44.588 45.100 -0.010 0.000 0.796 85 G HN 0.209 nan 8.290 nan 0.000 0.494 86 E N -0.442 119.761 120.200 0.006 0.000 2.212 86 E HA 0.773 5.125 4.350 0.004 0.000 0.268 86 E C -0.683 175.914 176.600 -0.004 0.000 0.902 86 E CA -0.798 55.605 56.400 0.004 0.000 0.779 86 E CB 1.729 31.448 29.700 0.033 0.000 1.172 86 E HN 0.665 nan 8.360 nan 0.000 0.409 87 M N 4.090 123.675 119.600 -0.025 0.000 2.164 87 M HA 0.307 4.789 4.480 0.004 0.000 0.260 87 M C -1.085 175.187 176.300 -0.046 0.000 0.974 87 M CA -0.373 54.907 55.300 -0.034 0.000 1.020 87 M CB 1.227 33.794 32.600 -0.055 0.000 1.903 87 M HN 0.693 nan 8.290 nan 0.000 0.469 88 T N 0.649 115.200 114.554 -0.005 0.000 2.788 88 T HA 0.677 5.030 4.350 0.004 0.000 0.287 88 T C 1.097 175.788 174.700 -0.016 0.000 1.007 88 T CA 0.604 62.715 62.100 0.019 0.000 1.005 88 T CB 1.326 70.289 68.868 0.158 0.000 1.012 88 T HN 1.406 nan 8.240 nan 0.000 0.530 89 G N 0.158 108.971 108.800 0.021 0.000 2.179 89 G HA2 -0.331 3.632 3.960 0.004 0.000 0.260 89 G HA3 -0.331 3.632 3.960 0.004 0.000 0.260 89 G C 0.847 175.743 174.900 -0.006 0.000 0.977 89 G CA 1.110 46.234 45.100 0.039 0.000 0.641 89 G HN 1.587 nan 8.290 nan 0.000 0.533 90 T N -3.327 111.149 114.554 -0.131 0.000 3.081 90 T HA 0.121 4.473 4.350 0.004 0.000 0.255 90 T C 1.780 176.440 174.700 -0.067 0.000 1.113 90 T CA 1.364 63.389 62.100 -0.124 0.000 1.082 90 T CB -0.269 68.494 68.868 -0.175 0.000 0.939 90 T HN 0.466 nan 8.240 nan 0.000 0.506 91 H N -0.410 118.733 119.070 0.123 0.000 2.389 91 H HA 0.041 4.599 4.556 0.004 0.000 0.299 91 H C 1.754 177.229 175.328 0.245 0.000 1.081 91 H CA 1.166 57.305 56.048 0.152 0.000 1.345 91 H CB -0.348 29.500 29.762 0.143 0.000 1.393 91 H HN 0.547 nan 8.280 nan 0.000 0.520 92 W N 1.160 122.532 121.300 0.120 0.000 2.770 92 W HA 0.012 4.675 4.660 0.004 0.000 0.256 92 W C 1.664 178.157 176.519 -0.043 0.000 1.291 92 W CA 0.176 57.538 57.345 0.029 0.000 1.396 92 W CB 0.116 29.583 29.460 0.012 0.000 1.114 92 W HN 0.056 nan 8.180 nan 0.000 0.637 93 I N 0.645 121.236 120.570 0.035 0.000 2.226 93 I HA -0.307 3.865 4.170 0.004 0.000 0.245 93 I C 2.390 178.471 176.117 -0.060 0.000 1.100 93 I CA 1.254 62.537 61.300 -0.029 0.000 1.374 93 I CB -0.422 37.623 38.000 0.074 0.000 1.057 93 I HN -0.139 nan 8.210 nan 0.000 0.413 94 E N 0.619 120.819 120.200 0.000 0.000 2.047 94 E HA -0.207 4.145 4.350 0.004 0.000 0.191 94 E C 1.559 178.124 176.600 -0.058 0.000 0.987 94 E CA 1.356 57.764 56.400 0.013 0.000 0.799 94 E CB -0.161 29.583 29.700 0.074 0.000 0.752 94 E HN 0.488 nan 8.360 nan 0.000 0.449 95 D N -0.877 119.452 120.400 -0.119 0.000 2.262 95 D HA 0.018 4.660 4.640 0.004 0.000 0.212 95 D C 1.836 177.750 176.300 -0.643 0.000 0.964 95 D CA 1.012 54.890 54.000 -0.204 0.000 0.875 95 D CB -0.084 40.745 40.800 0.048 0.000 0.996 95 D HN 0.225 nan 8.370 nan 0.000 0.497 96 G N -0.579 107.380 108.800 -1.402 0.000 2.539 96 G HA2 0.246 4.208 3.960 0.004 0.000 0.215 96 G HA3 0.246 4.208 3.960 0.004 0.000 0.215 96 G C 1.243 175.700 174.900 -0.739 0.000 1.141 96 G CA 0.697 44.689 45.100 -1.847 0.000 0.806 96 G HN 0.440 nan 8.290 nan 0.000 0.533 97 G N -1.481 107.029 108.800 -0.483 0.000 2.175 97 G HA2 -0.162 3.800 3.960 0.004 0.000 0.244 97 G HA3 -0.162 3.800 3.960 0.004 0.000 0.244 97 G C 0.162 175.180 174.900 0.196 0.000 0.982 97 G CA 0.746 45.838 45.100 -0.013 0.000 0.641 97 G HN 1.424 nan 8.290 nan 0.000 0.527 98 Y N -1.511 118.790 120.300 0.001 0.000 2.705 98 Y HA 0.811 5.363 4.550 0.003 0.000 0.332 98 Y C -0.489 175.511 175.900 0.165 0.000 1.221 98 Y CA -2.276 55.837 58.100 0.022 0.000 1.059 98 Y CB 0.559 38.888 38.460 -0.219 0.000 1.298 98 Y HN 0.793 nan 8.280 nan 0.000 0.459 99 F N -0.031 120.047 119.950 0.214 0.000 2.650 99 F HA 0.894 5.423 4.527 0.003 0.000 0.320 99 F C -2.376 173.530 175.800 0.177 0.000 1.091 99 F CA -1.444 56.657 58.000 0.168 0.000 0.962 99 F CB 1.305 40.341 39.000 0.060 0.000 1.363 99 F HN 0.464 nan 8.300 nan 0.000 0.482 100 L N 1.438 122.834 121.223 0.289 0.000 2.354 100 L HA 0.896 5.238 4.340 0.004 0.000 0.264 100 L C 0.476 177.462 176.870 0.194 0.000 1.008 100 L CA 0.101 54.996 54.840 0.091 0.000 0.819 100 L CB 0.981 43.120 42.059 0.133 0.000 1.339 100 L HN 1.257 nan 8.230 nan 0.000 0.420 101 G N 2.825 111.688 108.800 0.106 0.000 2.681 101 G HA2 -0.089 3.873 3.960 0.004 0.000 0.220 101 G HA3 -0.089 3.873 3.960 0.004 0.000 0.220 101 G C -2.964 172.086 174.900 0.249 0.000 1.353 101 G CA -0.631 44.608 45.100 0.232 0.000 0.872 101 G HN 0.494 nan 8.290 nan 0.000 0.557 102 P HA 0.567 nan 4.420 nan 0.000 0.282 102 P C -0.334 177.010 177.300 0.074 0.000 1.259 102 P CA -0.503 62.667 63.100 0.117 0.000 0.826 102 P CB 1.628 33.319 31.700 -0.014 0.000 1.064 103 V N 2.130 122.065 119.914 0.035 0.000 2.432 103 V HA 0.209 4.331 4.120 0.004 0.000 0.275 103 V C 0.373 176.447 176.094 -0.034 0.000 1.043 103 V CA -0.376 61.897 62.300 -0.045 0.000 0.925 103 V CB 1.366 33.182 31.823 -0.012 0.000 0.985 103 V HN 0.244 nan 8.190 nan 0.000 0.466 104 V N 6.908 126.795 119.914 -0.045 0.000 2.448 104 V HA 0.550 4.672 4.120 0.004 0.000 0.295 104 V C -0.236 175.856 176.094 -0.004 0.000 1.025 104 V CA -0.421 61.856 62.300 -0.037 0.000 0.859 104 V CB 1.795 33.587 31.823 -0.052 0.000 0.988 104 V HN 0.681 nan 8.190 nan 0.000 0.431 105 I N 3.918 124.499 120.570 0.017 0.000 2.465 105 I HA 0.724 4.896 4.170 0.004 0.000 0.291 105 I C 0.139 176.285 176.117 0.048 0.000 1.014 105 I CA -0.090 61.233 61.300 0.040 0.000 1.093 105 I CB 2.170 40.205 38.000 0.058 0.000 1.267 105 I HN 0.702 nan 8.210 nan 0.000 0.431 106 T N 3.120 117.702 114.554 0.047 0.000 2.606 106 T HA 0.345 4.697 4.350 0.004 0.000 0.280 106 T C -1.330 173.389 174.700 0.031 0.000 1.074 106 T CA -0.561 61.565 62.100 0.043 0.000 1.140 106 T CB 1.045 69.942 68.868 0.048 0.000 1.631 106 T HN 0.805 nan 8.240 nan 0.000 0.464 107 N N -0.206 118.503 118.700 0.016 0.000 2.482 107 N HA 0.364 5.106 4.740 0.004 0.000 0.279 107 N C 1.025 176.544 175.510 0.016 0.000 1.182 107 N CA 0.059 53.099 53.050 -0.017 0.000 0.969 107 N CB 0.406 38.841 38.487 -0.087 0.000 1.201 107 N HN 0.449 nan 8.380 nan 0.000 0.523 108 T N -0.776 113.780 114.554 0.004 0.000 2.685 108 T HA -0.197 4.155 4.350 0.004 0.000 0.268 108 T C 0.738 175.553 174.700 0.192 0.000 1.034 108 T CA 1.603 63.743 62.100 0.067 0.000 1.149 108 T CB -0.544 68.346 68.868 0.036 0.000 0.860 108 T HN 0.539 nan 8.240 nan 0.000 0.449 109 H N -0.113 118.978 119.070 0.034 0.000 2.539 109 H HA 0.379 4.937 4.556 0.004 0.000 0.267 109 H C 2.109 177.517 175.328 0.133 0.000 0.982 109 H CA -0.135 55.943 56.048 0.049 0.000 1.146 109 H CB -0.418 29.243 29.762 -0.168 0.000 1.382 109 H HN 0.441 nan 8.280 nan 0.000 0.577 110 G N 0.115 109.034 108.800 0.198 0.000 3.042 110 G HA2 -0.003 3.959 3.960 0.004 0.000 0.212 110 G HA3 -0.003 3.959 3.960 0.004 0.000 0.212 110 G C 1.539 176.537 174.900 0.163 0.000 1.166 110 G CA -0.190 45.018 45.100 0.180 0.000 0.767 110 G HN 0.157 nan 8.290 nan 0.000 0.546 111 I N 2.257 122.925 120.570 0.163 0.000 2.091 111 I HA -0.176 3.996 4.170 0.004 0.000 0.239 111 I C 2.932 179.145 176.117 0.161 0.000 1.061 111 I CA 1.842 63.229 61.300 0.145 0.000 1.317 111 I CB -1.308 36.769 38.000 0.128 0.000 1.031 111 I HN 0.231 nan 8.210 nan 0.000 0.401 112 G N 0.133 109.017 108.800 0.141 0.000 2.446 112 G HA2 -0.326 3.636 3.960 0.004 0.000 0.217 112 G HA3 -0.326 3.636 3.960 0.004 0.000 0.217 112 G C 1.664 176.655 174.900 0.152 0.000 1.168 112 G CA 1.118 46.284 45.100 0.110 0.000 0.771 112 G HN 0.273 nan 8.290 nan 0.000 0.551 113 M N 1.489 121.174 119.600 0.142 0.000 2.175 113 M HA 0.267 4.749 4.480 0.004 0.000 0.264 113 M C 2.638 179.050 176.300 0.187 0.000 1.063 113 M CA 1.344 56.735 55.300 0.151 0.000 1.119 113 M CB -0.509 32.166 32.600 0.126 0.000 1.377 113 M HN 0.229 nan 8.290 nan 0.000 0.415 114 A N -1.036 121.879 122.820 0.158 0.000 1.933 114 A HA -0.222 4.100 4.320 0.004 0.000 0.218 114 A C 2.300 179.967 177.584 0.139 0.000 1.175 114 A CA 1.920 54.029 52.037 0.120 0.000 0.628 114 A CB -1.235 17.819 19.000 0.090 0.000 0.814 114 A HN 0.718 nan 8.150 nan 0.000 0.444 115 H N -0.985 118.141 119.070 0.094 0.000 2.299 115 H HA -0.198 4.360 4.556 0.003 0.000 0.302 115 H C 2.088 177.485 175.328 0.115 0.000 1.078 115 H CA 2.301 58.404 56.048 0.091 0.000 1.323 115 H CB -0.523 29.290 29.762 0.086 0.000 1.381 115 H HN 0.719 nan 8.280 nan 0.000 0.498 116 H N 0.420 119.638 119.070 0.247 0.000 2.319 116 H HA -0.093 4.465 4.556 0.004 0.000 0.297 116 H C 2.211 177.601 175.328 0.104 0.000 1.097 116 H CA 2.457 58.603 56.048 0.164 0.000 1.285 116 H CB -0.364 29.466 29.762 0.112 0.000 1.368 116 H HN 0.407 nan 8.280 nan 0.000 0.495 117 A N -0.819 122.076 122.820 0.125 0.000 1.933 117 A HA -0.154 4.168 4.320 0.004 0.000 0.218 117 A C 2.489 180.099 177.584 0.043 0.000 1.175 117 A CA 1.952 54.020 52.037 0.052 0.000 0.628 117 A CB -0.913 18.142 19.000 0.093 0.000 0.814 117 A HN 0.580 nan 8.150 nan 0.000 0.444 118 T N -0.409 114.159 114.554 0.023 0.000 2.777 118 T HA -0.087 4.265 4.350 0.004 0.000 0.266 118 T C 1.890 176.638 174.700 0.081 0.000 1.040 118 T CA 1.455 63.582 62.100 0.045 0.000 1.141 118 T CB -0.374 68.467 68.868 -0.046 0.000 0.868 118 T HN 0.156 nan 8.240 nan 0.000 0.444 119 V N 1.931 121.822 119.914 -0.038 0.000 2.295 119 V HA -0.189 3.933 4.120 0.004 0.000 0.246 119 V C 2.703 178.765 176.094 -0.052 0.000 1.049 119 V CA 1.587 63.848 62.300 -0.065 0.000 1.024 119 V CB -0.544 31.238 31.823 -0.068 0.000 0.648 119 V HN 0.401 nan 8.190 nan 0.000 0.447 120 R N -1.309 119.140 120.500 -0.085 0.000 2.091 120 R HA -0.249 4.093 4.340 0.004 0.000 0.238 120 R C 2.124 178.445 176.300 0.035 0.000 1.136 120 R CA 2.093 58.151 56.100 -0.071 0.000 0.959 120 R CB -0.671 29.544 30.300 -0.141 0.000 0.856 120 R HN 0.693 nan 8.270 nan 0.000 0.437 121 W N 1.560 122.812 121.300 -0.079 0.000 2.363 121 W HA -0.121 4.541 4.660 0.004 0.000 0.296 121 W C 2.061 178.563 176.519 -0.030 0.000 1.212 121 W CA 1.344 58.659 57.345 -0.050 0.000 1.260 121 W CB -0.110 29.328 29.460 -0.037 0.000 1.131 121 W HN -0.056 nan 8.180 nan 0.000 0.530 122 M N -0.500 119.200 119.600 0.166 0.000 2.175 122 M HA -0.205 4.277 4.480 0.004 0.000 0.264 122 M C 1.809 178.123 176.300 0.023 0.000 1.063 122 M CA 1.458 56.821 55.300 0.104 0.000 1.119 122 M CB -0.773 31.939 32.600 0.186 0.000 1.377 122 M HN -0.147 nan 8.290 nan 0.000 0.415 123 V N 0.490 120.361 119.914 -0.072 0.000 2.407 123 V HA -0.272 3.850 4.120 0.004 0.000 0.248 123 V C 1.703 177.786 176.094 -0.018 0.000 1.055 123 V CA 1.803 64.094 62.300 -0.014 0.000 1.049 123 V CB -0.677 31.113 31.823 -0.054 0.000 0.662 123 V HN 0.405 nan 8.190 nan 0.000 0.455 124 D N -0.276 120.043 120.400 -0.135 0.000 2.120 124 D HA -0.115 4.527 4.640 0.004 0.000 0.202 124 D C 2.314 178.419 176.300 -0.324 0.000 0.972 124 D CA 1.112 54.996 54.000 -0.193 0.000 0.837 124 D CB -0.265 40.409 40.800 -0.210 0.000 0.989 124 D HN 0.257 nan 8.370 nan 0.000 0.469 125 R N 0.254 120.379 120.500 -0.625 0.000 2.092 125 R HA -0.118 4.224 4.340 0.004 0.000 0.231 125 R C 0.450 176.317 176.300 -0.721 0.000 1.119 125 R CA 1.200 56.763 56.100 -0.895 0.000 0.970 125 R CB -0.688 28.587 30.300 -1.707 0.000 0.864 125 R HN 0.178 nan 8.270 nan 0.000 0.440 126 Y N 0.099 120.301 120.300 -0.165 0.000 2.813 126 Y HA 0.479 5.031 4.550 0.003 0.000 0.378 126 Y C 1.161 177.050 175.900 -0.018 0.000 1.023 126 Y CA -0.247 57.818 58.100 -0.058 0.000 1.567 126 Y CB 0.105 38.592 38.460 0.046 0.000 1.492 126 Y HN 0.171 nan 8.280 nan 0.000 0.533 127 A N 0.147 122.981 122.820 0.023 0.000 1.940 127 A HA -0.227 4.096 4.320 0.004 0.000 0.219 127 A C 2.387 179.976 177.584 0.008 0.000 1.176 127 A CA 2.107 54.159 52.037 0.025 0.000 0.631 127 A CB -0.696 18.288 19.000 -0.026 0.000 0.814 127 A HN 0.532 nan 8.150 nan 0.000 0.446 128 S N -1.367 114.324 115.700 -0.015 0.000 2.469 128 S HA -0.094 4.378 4.470 0.004 0.000 0.238 128 S C 1.597 176.152 174.600 -0.075 0.000 0.998 128 S CA 1.795 59.972 58.200 -0.038 0.000 0.957 128 S CB -0.647 62.530 63.200 -0.039 0.000 0.764 128 S HN 0.493 nan 8.310 nan 0.000 0.514 129 T N 0.322 114.799 114.554 -0.129 0.000 2.925 129 T HA 0.208 4.560 4.350 0.004 0.000 0.245 129 T C 1.049 175.538 174.700 -0.351 0.000 1.025 129 T CA 0.799 62.711 62.100 -0.313 0.000 1.149 129 T CB -0.323 68.186 68.868 -0.598 0.000 0.866 129 T HN 0.496 nan 8.240 nan 0.000 0.437 130 Y N 1.563 121.862 120.300 -0.001 0.000 2.503 130 Y HA 0.292 4.844 4.550 0.003 0.000 0.278 130 Y C 1.540 177.429 175.900 -0.018 0.000 1.111 130 Y CA 0.032 58.121 58.100 -0.019 0.000 1.270 130 Y CB -0.031 38.430 38.460 0.002 0.000 1.063 130 Y HN 0.187 nan 8.280 nan 0.000 0.548 131 Q N 1.467 121.329 119.800 0.104 0.000 3.041 131 Q HA 0.205 4.547 4.340 0.004 0.000 0.372 131 Q C 0.020 176.028 176.000 0.013 0.000 1.241 131 Q CA -0.151 55.686 55.803 0.056 0.000 1.010 131 Q CB -0.005 28.756 28.738 0.039 0.000 1.467 131 Q HN 0.332 nan 8.270 nan 0.000 0.462 132 T N -4.559 109.993 114.554 -0.004 0.000 2.693 132 T HA 0.276 4.628 4.350 0.004 0.000 0.278 132 T C 0.109 174.767 174.700 -0.071 0.000 0.994 132 T CA -0.690 61.386 62.100 -0.041 0.000 1.033 132 T CB 1.024 69.856 68.868 -0.060 0.000 1.342 132 T HN -0.099 nan 8.240 nan 0.000 0.538 133 D N 0.615 120.945 120.400 -0.116 0.000 2.340 133 D HA 0.199 4.841 4.640 0.004 0.000 0.220 133 D C -0.327 175.740 176.300 -0.389 0.000 1.039 133 D CA 0.062 53.939 54.000 -0.205 0.000 0.866 133 D CB -0.024 40.668 40.800 -0.179 0.000 0.913 133 D HN 0.383 nan 8.370 nan 0.000 0.523 134 D N 0.039 120.270 120.400 -0.282 0.000 2.382 134 D HA -0.005 4.637 4.640 0.004 0.000 0.245 134 D C -0.092 176.019 176.300 -0.315 0.000 1.120 134 D CA 0.054 53.858 54.000 -0.328 0.000 0.890 134 D CB 0.607 41.278 40.800 -0.214 0.000 1.201 134 D HN -0.030 nan 8.370 nan 0.000 0.433 135 F N 2.187 122.115 119.950 -0.036 0.000 2.423 135 F HA 0.183 4.711 4.527 0.002 0.000 0.356 135 F C 0.073 175.829 175.800 -0.072 0.000 1.170 135 F CA -0.476 57.547 58.000 0.038 0.000 1.163 135 F CB -0.069 39.006 39.000 0.126 0.000 1.318 135 F HN -0.064 nan 8.300 nan 0.000 0.569 136 L N 3.156 124.434 121.223 0.092 0.000 2.370 136 L HA 0.573 4.915 4.340 0.004 0.000 0.266 136 L C -0.842 176.074 176.870 0.078 0.000 1.002 136 L CA -1.444 53.277 54.840 -0.198 0.000 0.818 136 L CB 1.667 43.637 42.059 -0.148 0.000 1.325 136 L HN 0.568 nan 8.230 nan 0.000 0.418 137 W N 2.474 123.814 121.300 0.067 0.000 2.950 137 W HA 0.873 5.535 4.660 0.002 0.000 0.340 137 W C -1.269 175.260 176.519 0.015 0.000 1.139 137 W CA -0.928 56.430 57.345 0.021 0.000 1.188 137 W CB 0.678 30.131 29.460 -0.011 0.000 1.426 137 W HN 0.233 nan 8.180 nan 0.000 0.531 138 I N 3.009 123.672 120.570 0.156 0.000 2.433 138 I HA 0.411 4.583 4.170 0.004 0.000 0.292 138 I C -0.343 175.858 176.117 0.140 0.000 1.001 138 I CA -1.290 60.038 61.300 0.046 0.000 1.119 138 I CB 1.642 39.541 38.000 -0.168 0.000 1.289 138 I HN 0.465 nan 8.210 nan 0.000 0.438 139 M N 7.995 127.692 119.600 0.162 0.000 1.960 139 M HA 0.323 4.805 4.480 0.004 0.000 0.271 139 M C -2.557 173.813 176.300 0.117 0.000 0.862 139 M CA -1.554 53.859 55.300 0.188 0.000 0.854 139 M CB 1.243 33.995 32.600 0.254 0.000 1.575 139 M HN 0.227 nan 8.290 nan 0.000 0.375 140 P HA 0.210 nan 4.420 nan 0.000 0.274 140 P C -0.596 176.676 177.300 -0.046 0.000 1.246 140 P CA -0.378 62.682 63.100 -0.066 0.000 0.795 140 P CB 1.159 32.733 31.700 -0.210 0.000 1.006 141 V N 2.151 122.013 119.914 -0.086 0.000 2.304 141 V HA 0.187 4.309 4.120 0.004 0.000 0.269 141 V C 0.222 176.260 176.094 -0.093 0.000 1.036 141 V CA -0.337 61.870 62.300 -0.154 0.000 0.840 141 V CB 1.005 32.573 31.823 -0.426 0.000 1.036 141 V HN 0.240 nan 8.190 nan 0.000 0.466 142 V N 4.381 124.284 119.914 -0.018 0.000 2.531 142 V HA 0.908 5.030 4.120 0.004 0.000 0.301 142 V C 0.255 176.365 176.094 0.026 0.000 1.034 142 V CA -0.303 62.008 62.300 0.019 0.000 0.865 142 V CB 1.550 33.425 31.823 0.086 0.000 0.995 142 V HN 0.903 nan 8.190 nan 0.000 0.424 143 A N 4.433 127.265 122.820 0.019 0.000 2.437 143 A HA 1.120 5.442 4.320 0.004 0.000 0.288 143 A C -0.829 176.779 177.584 0.040 0.000 1.201 143 A CA -0.589 51.462 52.037 0.023 0.000 0.795 143 A CB 2.184 21.191 19.000 0.010 0.000 1.359 143 A HN 1.056 nan 8.150 nan 0.000 0.435 144 E N -1.344 118.881 120.200 0.041 0.000 2.423 144 E HA 0.646 4.998 4.350 0.004 0.000 0.280 144 E C -0.706 175.925 176.600 0.053 0.000 1.030 144 E CA -0.289 56.141 56.400 0.050 0.000 0.812 144 E CB 1.222 30.958 29.700 0.061 0.000 1.313 144 E HN 0.893 nan 8.360 nan 0.000 0.456 145 T N -1.864 112.724 114.554 0.056 0.000 2.901 145 T HA 0.551 4.904 4.350 0.004 0.000 0.293 145 T C -1.406 173.347 174.700 0.087 0.000 1.084 145 T CA -0.870 61.275 62.100 0.076 0.000 1.008 145 T CB 0.950 69.863 68.868 0.075 0.000 1.170 145 T HN 0.571 nan 8.240 nan 0.000 0.509 146 Y N 2.255 122.530 120.300 -0.042 0.000 2.353 146 Y HA 0.421 4.973 4.550 0.004 0.000 0.340 146 Y C 0.033 175.889 175.900 -0.073 0.000 0.972 146 Y CA -1.069 56.978 58.100 -0.088 0.000 1.157 146 Y CB 0.914 39.320 38.460 -0.090 0.000 1.157 146 Y HN 0.822 nan 8.280 nan 0.000 0.495 147 D N 2.255 122.334 120.400 -0.536 0.000 2.615 147 D HA 0.155 4.797 4.640 0.004 0.000 0.236 147 D C 1.542 177.463 176.300 -0.630 0.000 1.233 147 D CA 0.120 53.856 54.000 -0.440 0.000 0.829 147 D CB 0.063 40.723 40.800 -0.234 0.000 1.024 147 D HN 0.741 nan 8.370 nan 0.000 0.490 148 G N 0.409 108.432 108.800 -1.294 0.000 2.448 148 G HA2 -0.151 3.812 3.960 0.004 0.000 0.219 148 G HA3 -0.151 3.812 3.960 0.004 0.000 0.219 148 G C 1.508 176.217 174.900 -0.319 0.000 1.127 148 G CA 0.635 45.220 45.100 -0.858 0.000 0.766 148 G HN 0.461 nan 8.290 nan 0.000 0.552 149 A N -0.036 122.655 122.820 -0.215 0.000 1.930 149 A HA 0.213 4.535 4.320 0.004 0.000 0.217 149 A C 2.085 179.621 177.584 -0.081 0.000 1.175 149 A CA 1.091 53.081 52.037 -0.079 0.000 0.627 149 A CB -0.129 18.849 19.000 -0.036 0.000 0.815 149 A HN 0.307 nan 8.150 nan 0.000 0.443 150 L N -1.329 119.829 121.223 -0.108 0.000 2.609 150 L HA 0.296 4.638 4.340 0.004 0.000 0.230 150 L C 0.262 177.081 176.870 -0.085 0.000 1.087 150 L CA 0.458 55.253 54.840 -0.075 0.000 0.874 150 L CB -0.704 41.319 42.059 -0.061 0.000 1.114 150 L HN 0.498 nan 8.230 nan 0.000 0.488 151 N N -0.865 117.754 118.700 -0.134 0.000 2.272 151 N HA 0.109 4.851 4.740 0.004 0.000 0.305 151 N C -0.652 174.773 175.510 -0.143 0.000 1.103 151 N CA -0.416 52.554 53.050 -0.133 0.000 0.791 151 N CB 1.441 39.830 38.487 -0.164 0.000 1.356 151 N HN -0.155 nan 8.380 nan 0.000 0.486 152 D N 3.031 123.365 120.400 -0.111 0.000 2.671 152 D HA 0.057 4.699 4.640 0.004 0.000 0.228 152 D C 1.245 177.457 176.300 -0.146 0.000 1.102 152 D CA 0.068 54.007 54.000 -0.102 0.000 1.044 152 D CB -0.746 40.010 40.800 -0.073 0.000 1.113 152 D HN 0.614 nan 8.370 nan 0.000 0.480 153 I N 1.285 121.734 120.570 -0.201 0.000 2.361 153 I HA -0.231 3.941 4.170 0.004 0.000 0.251 153 I C 0.906 176.816 176.117 -0.344 0.000 1.133 153 I CA 0.784 61.917 61.300 -0.277 0.000 1.413 153 I CB 0.172 37.949 38.000 -0.371 0.000 1.073 153 I HN 0.153 nan 8.210 nan 0.000 0.424 154 N N 0.842 119.408 118.700 -0.223 0.000 2.370 154 N HA 0.061 4.803 4.740 0.004 0.000 0.198 154 N C 1.272 176.685 175.510 -0.163 0.000 1.156 154 N CA 0.695 53.587 53.050 -0.264 0.000 0.839 154 N CB 0.353 38.832 38.487 -0.012 0.000 0.989 154 N HN 0.426 nan 8.380 nan 0.000 0.468 155 G N -0.752 107.968 108.800 -0.135 0.000 2.986 155 G HA2 0.031 3.993 3.960 0.004 0.000 0.213 155 G HA3 0.031 3.993 3.960 0.004 0.000 0.213 155 G C -0.024 174.978 174.900 0.169 0.000 1.156 155 G CA -0.427 44.702 45.100 0.048 0.000 0.763 155 G HN 0.211 nan 8.290 nan 0.000 0.547 156 F N 0.032 120.003 119.950 0.036 0.000 2.866 156 F HA -0.166 4.363 4.527 0.004 0.000 0.254 156 F C -0.555 175.257 175.800 0.019 0.000 1.009 156 F CA 0.124 58.146 58.000 0.036 0.000 0.907 156 F CB -1.232 37.785 39.000 0.028 0.000 0.859 156 F HN 0.223 nan 8.300 nan 0.000 0.842 157 P HA -0.038 nan 4.420 nan 0.000 0.221 157 P C 0.512 177.852 177.300 0.065 0.000 1.150 157 P CA 0.910 64.044 63.100 0.057 0.000 0.800 157 P CB 0.312 32.015 31.700 0.005 0.000 0.787 158 V N 2.281 122.241 119.914 0.078 0.000 2.470 158 V HA 0.146 4.269 4.120 0.004 0.000 0.276 158 V C 1.140 177.289 176.094 0.091 0.000 1.040 158 V CA 0.080 62.424 62.300 0.073 0.000 1.008 158 V CB 0.388 32.252 31.823 0.069 0.000 0.990 158 V HN 0.261 nan 8.190 nan 0.000 0.477 159 T N 0.620 115.217 114.554 0.072 0.000 2.923 159 T HA 0.349 4.701 4.350 0.004 0.000 0.281 159 T C 1.032 175.779 174.700 0.078 0.000 0.995 159 T CA -0.273 61.871 62.100 0.073 0.000 0.985 159 T CB 1.578 70.481 68.868 0.058 0.000 1.114 159 T HN 0.668 nan 8.240 nan 0.000 0.548 160 E N 0.291 120.546 120.200 0.092 0.000 2.085 160 E HA -0.181 4.171 4.350 0.004 0.000 0.194 160 E C 2.245 178.892 176.600 0.078 0.000 0.994 160 E CA 1.331 57.798 56.400 0.110 0.000 0.801 160 E CB -0.619 29.172 29.700 0.151 0.000 0.743 160 E HN 0.764 nan 8.360 nan 0.000 0.453 161 A N 1.144 124.004 122.820 0.066 0.000 1.933 161 A HA -0.215 4.107 4.320 0.004 0.000 0.218 161 A C 1.826 179.433 177.584 0.038 0.000 1.175 161 A CA 1.798 53.866 52.037 0.052 0.000 0.628 161 A CB -0.445 18.583 19.000 0.046 0.000 0.814 161 A HN 0.315 nan 8.150 nan 0.000 0.444 162 D N -0.492 119.930 120.400 0.037 0.000 2.117 162 D HA -0.121 4.521 4.640 0.004 0.000 0.198 162 D C 2.147 178.452 176.300 0.009 0.000 0.982 162 D CA 1.680 55.696 54.000 0.027 0.000 0.828 162 D CB -0.461 40.359 40.800 0.034 0.000 0.967 162 D HN 0.355 nan 8.370 nan 0.000 0.464 163 V N 0.856 120.776 119.914 0.010 0.000 2.453 163 V HA -0.139 3.983 4.120 0.004 0.000 0.247 163 V C 2.178 178.214 176.094 -0.097 0.000 1.048 163 V CA 1.256 63.536 62.300 -0.033 0.000 1.049 163 V CB -0.215 31.598 31.823 -0.016 0.000 0.672 163 V HN 0.018 nan 8.190 nan 0.000 0.457 164 R N -0.108 120.363 120.500 -0.048 0.000 2.096 164 R HA -0.130 4.213 4.340 0.004 0.000 0.235 164 R C 2.541 178.802 176.300 -0.066 0.000 1.127 164 R CA 1.634 57.700 56.100 -0.057 0.000 0.968 164 R CB -0.410 29.938 30.300 0.080 0.000 0.861 164 R HN 0.470 nan 8.270 nan 0.000 0.440 165 K N 0.612 120.997 120.400 -0.026 0.000 2.057 165 K HA -0.104 4.218 4.320 0.004 0.000 0.207 165 K C 1.945 178.516 176.600 -0.049 0.000 1.049 165 K CA 1.435 57.715 56.287 -0.013 0.000 0.931 165 K CB -0.084 32.422 32.500 0.010 0.000 0.714 165 K HN 0.132 nan 8.250 nan 0.000 0.440 166 A N 1.316 124.091 122.820 -0.076 0.000 1.902 166 A HA -0.129 4.193 4.320 0.004 0.000 0.217 166 A C 2.278 179.737 177.584 -0.209 0.000 1.181 166 A CA 1.196 53.171 52.037 -0.103 0.000 0.623 166 A CB -0.514 18.439 19.000 -0.079 0.000 0.818 166 A HN 0.275 nan 8.150 nan 0.000 0.443 167 L N -0.581 120.429 121.223 -0.355 0.000 2.056 167 L HA -0.166 4.176 4.340 0.004 0.000 0.207 167 L C 1.895 178.570 176.870 -0.324 0.000 1.078 167 L CA 1.386 55.845 54.840 -0.636 0.000 0.749 167 L CB -0.573 40.597 42.059 -1.482 0.000 0.901 167 L HN 0.265 nan 8.230 nan 0.000 0.433 168 D N -0.260 120.074 120.400 -0.111 0.000 2.264 168 D HA -0.127 4.515 4.640 0.004 0.000 0.208 168 D C 1.491 177.808 176.300 0.029 0.000 0.966 168 D CA 0.827 54.880 54.000 0.089 0.000 0.864 168 D CB -0.219 40.654 40.800 0.122 0.000 0.933 168 D HN 0.230 nan 8.370 nan 0.000 0.499 169 N N 0.192 118.874 118.700 -0.030 0.000 2.336 169 N HA -0.009 4.733 4.740 0.004 0.000 0.189 169 N C 0.146 175.621 175.510 -0.058 0.000 1.113 169 N CA -0.046 52.988 53.050 -0.027 0.000 0.858 169 N CB 0.373 38.846 38.487 -0.024 0.000 0.970 169 N HN 0.101 nan 8.380 nan 0.000 0.471 170 V N -0.753 119.116 119.914 -0.075 0.000 2.788 170 V HA 0.528 4.650 4.120 0.004 0.000 0.307 170 V C 0.349 176.414 176.094 -0.048 0.000 1.069 170 V CA -0.829 61.418 62.300 -0.089 0.000 1.173 170 V CB 0.219 31.999 31.823 -0.073 0.000 0.925 170 V HN 0.172 nan 8.190 nan 0.000 0.492 171 A N 3.659 126.438 122.820 -0.068 0.000 2.606 171 A HA 0.843 5.165 4.320 0.004 0.000 0.293 171 A C -0.066 177.482 177.584 -0.059 0.000 1.082 171 A CA -0.191 51.818 52.037 -0.047 0.000 0.685 171 A CB 1.349 20.319 19.000 -0.050 0.000 1.284 171 A HN 1.792 nan 8.150 nan 0.000 0.408 172 S N 0.240 115.913 115.700 -0.045 0.000 2.598 172 S HA 0.835 5.307 4.470 0.004 0.000 0.267 172 S C 0.969 175.478 174.600 -0.153 0.000 1.189 172 S CA 0.327 58.493 58.200 -0.056 0.000 1.010 172 S CB 0.093 63.290 63.200 -0.004 0.000 1.084 172 S HN 2.806 nan 8.310 nan 0.000 0.541 173 G N 0.019 108.651 108.800 -0.280 0.000 2.681 173 G HA2 -0.060 3.903 3.960 0.004 0.000 0.220 173 G HA3 -0.060 3.903 3.960 0.004 0.000 0.220 173 G C -3.270 171.161 174.900 -0.783 0.000 1.353 173 G CA -0.631 44.012 45.100 -0.761 0.000 0.872 173 G HN 0.784 nan 8.290 nan 0.000 0.557 174 P HA 0.391 nan 4.420 nan 0.000 0.265 174 P C -0.061 177.158 177.300 -0.135 0.000 1.187 174 P CA -0.196 62.691 63.100 -0.355 0.000 0.766 174 P CB 0.861 32.455 31.700 -0.176 0.000 0.820 175 V N 3.751 123.655 119.914 -0.016 0.000 2.417 175 V HA 0.235 4.357 4.120 0.004 0.000 0.291 175 V C 0.489 176.671 176.094 0.147 0.000 1.024 175 V CA -0.630 61.728 62.300 0.095 0.000 0.861 175 V CB 1.221 33.108 31.823 0.108 0.000 0.985 175 V HN 0.520 nan 8.190 nan 0.000 0.436 176 Q N 3.240 123.186 119.800 0.242 0.000 2.364 176 Q HA 0.252 4.594 4.340 0.004 0.000 0.267 176 Q C -0.396 175.589 176.000 -0.025 0.000 0.999 176 Q CA 0.321 56.169 55.803 0.074 0.000 0.886 176 Q CB 0.844 29.572 28.738 -0.017 0.000 1.243 176 Q HN 0.782 nan 8.270 nan 0.000 0.415 177 E N 1.039 121.199 120.200 -0.067 0.000 2.393 177 E HA 0.641 4.994 4.350 0.004 0.000 0.265 177 E C -0.143 176.395 176.600 -0.103 0.000 0.941 177 E CA -0.366 55.991 56.400 -0.073 0.000 0.801 177 E CB 1.764 31.457 29.700 -0.012 0.000 1.313 177 E HN 0.908 nan 8.360 nan 0.000 0.435 178 G N 1.349 110.105 108.800 -0.074 0.000 2.603 178 G HA2 -0.259 3.703 3.960 0.004 0.000 0.245 178 G HA3 -0.259 3.703 3.960 0.004 0.000 0.245 178 G C -0.456 174.392 174.900 -0.087 0.000 1.195 178 G CA -0.321 44.746 45.100 -0.054 0.000 0.953 178 G HN 0.494 nan 8.290 nan 0.000 0.566 179 N N 2.120 120.770 118.700 -0.084 0.000 3.103 179 N HA 0.408 5.150 4.740 0.004 0.000 0.305 179 N C 0.207 175.628 175.510 -0.148 0.000 1.232 179 N CA 0.884 53.881 53.050 -0.088 0.000 1.190 179 N CB -0.952 37.502 38.487 -0.056 0.000 1.461 179 N HN 1.131 nan 8.380 nan 0.000 0.538 180 C N -2.917 116.242 119.300 -0.235 0.000 2.994 180 C HA 0.927 5.389 4.460 0.004 0.000 0.305 180 C C 1.088 175.864 174.990 -0.356 0.000 1.251 180 C CA -0.372 58.420 59.018 -0.376 0.000 1.478 180 C CB 1.071 28.398 27.740 -0.687 0.000 1.922 180 C HN 0.639 nan 8.230 nan 0.000 0.472 181 G N 1.783 110.468 108.800 -0.192 0.000 2.582 181 G HA2 0.129 4.092 3.960 0.004 0.000 0.288 181 G HA3 0.129 4.092 3.960 0.004 0.000 0.288 181 G C 1.025 175.957 174.900 0.052 0.000 1.247 181 G CA 0.663 45.824 45.100 0.100 0.000 0.972 181 G HN 2.355 nan 8.290 nan 0.000 0.557 182 G N 0.043 108.906 108.800 0.106 0.000 2.479 182 G HA2 0.219 4.182 3.960 0.004 0.000 0.220 182 G HA3 0.219 4.182 3.960 0.004 0.000 0.220 182 G C 1.679 176.594 174.900 0.025 0.000 1.115 182 G CA 1.722 46.856 45.100 0.057 0.000 0.757 182 G HN 1.828 nan 8.290 nan 0.000 0.560 183 G N -0.398 108.411 108.800 0.014 0.000 2.813 183 G HA2 0.074 4.037 3.960 0.004 0.000 0.209 183 G HA3 0.074 4.037 3.960 0.004 0.000 0.209 183 G C 1.610 176.492 174.900 -0.029 0.000 1.150 183 G CA 1.155 46.255 45.100 -0.001 0.000 0.785 183 G HN 0.319 nan 8.290 nan 0.000 0.535 184 T N 0.964 115.489 114.554 -0.048 0.000 2.624 184 T HA -0.144 4.208 4.350 0.004 0.000 0.268 184 T C 2.149 176.824 174.700 -0.042 0.000 1.041 184 T CA 1.647 63.714 62.100 -0.055 0.000 1.159 184 T CB -0.278 68.559 68.868 -0.053 0.000 0.863 184 T HN 0.332 nan 8.240 nan 0.000 0.434 185 G N 0.964 109.736 108.800 -0.046 0.000 3.448 185 G HA2 0.350 4.312 3.960 0.004 0.000 0.261 185 G HA3 0.350 4.312 3.960 0.004 0.000 0.261 185 G C 0.207 175.078 174.900 -0.048 0.000 1.173 185 G CA -0.333 44.735 45.100 -0.054 0.000 0.835 185 G HN 0.211 nan 8.290 nan 0.000 0.534 186 M N 0.512 120.100 119.600 -0.019 0.000 2.359 186 M HA 0.524 5.006 4.480 0.004 0.000 0.322 186 M C -0.322 175.994 176.300 0.028 0.000 1.166 186 M CA -0.921 54.382 55.300 0.005 0.000 1.067 186 M CB 1.451 34.070 32.600 0.032 0.000 1.523 186 M HN -0.145 nan 8.290 nan 0.000 0.467 187 I N 0.273 120.866 120.570 0.037 0.000 2.498 187 I HA 0.388 4.561 4.170 0.004 0.000 0.290 187 I C -0.218 175.929 176.117 0.051 0.000 1.032 187 I CA -0.416 60.911 61.300 0.045 0.000 1.073 187 I CB 2.327 40.334 38.000 0.010 0.000 1.251 187 I HN 0.565 nan 8.210 nan 0.000 0.426 188 T N 4.499 119.104 114.554 0.085 0.000 2.879 188 T HA 0.427 4.779 4.350 0.004 0.000 0.290 188 T C -0.525 174.245 174.700 0.116 0.000 0.993 188 T CA -0.075 62.045 62.100 0.034 0.000 0.975 188 T CB 0.301 69.258 68.868 0.149 0.000 0.981 188 T HN 0.517 nan 8.240 nan 0.000 0.439 189 Y N 2.458 122.708 120.300 -0.082 0.000 3.825 189 Y HA -0.249 4.304 4.550 0.004 0.000 0.221 189 Y C 1.522 177.325 175.900 -0.162 0.000 1.195 189 Y CA 1.435 59.483 58.100 -0.087 0.000 1.699 189 Y CB -1.834 36.645 38.460 0.031 0.000 1.531 189 Y HN 1.312 nan 8.280 nan 0.000 0.640 190 G N -2.418 106.315 108.800 -0.111 0.000 2.189 190 G HA2 -0.334 3.628 3.960 0.004 0.000 0.267 190 G HA3 -0.334 3.628 3.960 0.004 0.000 0.267 190 G C 0.018 174.754 174.900 -0.273 0.000 0.975 190 G CA 0.379 45.341 45.100 -0.230 0.000 0.644 190 G HN 0.411 nan 8.290 nan 0.000 0.537 191 F N -0.435 119.535 119.950 0.034 0.000 2.557 191 F HA 0.755 5.284 4.527 0.004 0.000 0.336 191 F C 0.613 176.434 175.800 0.034 0.000 1.058 191 F CA -1.437 56.586 58.000 0.038 0.000 0.988 191 F CB 1.044 40.080 39.000 0.059 0.000 1.275 191 F HN -0.047 nan 8.300 nan 0.000 0.488 192 K N 0.648 121.206 120.400 0.264 0.000 2.448 192 K HA 0.454 4.776 4.320 0.004 0.000 0.278 192 K C 0.058 176.742 176.600 0.139 0.000 1.009 192 K CA 0.279 56.651 56.287 0.141 0.000 0.995 192 K CB 0.258 32.815 32.500 0.096 0.000 0.917 192 K HN 0.734 nan 8.250 nan 0.000 0.481 193 G N 0.912 109.775 108.800 0.105 0.000 3.122 193 G HA2 0.759 4.721 3.960 0.004 0.000 0.180 193 G HA3 0.759 4.721 3.960 0.004 0.000 0.180 193 G C -0.126 174.815 174.900 0.068 0.000 1.279 193 G CA -0.335 44.831 45.100 0.110 0.000 0.987 193 G HN 0.941 nan 8.290 nan 0.000 0.589 194 G N -2.081 106.761 108.800 0.071 0.000 2.288 194 G HA2 0.375 4.337 3.960 0.004 0.000 0.227 194 G HA3 0.375 4.337 3.960 0.004 0.000 0.227 194 G C -0.734 174.191 174.900 0.042 0.000 1.339 194 G CA 0.110 45.229 45.100 0.032 0.000 1.057 194 G HN 0.973 nan 8.290 nan 0.000 0.470 195 T N 0.667 115.224 114.554 0.005 0.000 2.845 195 T HA 0.648 5.000 4.350 0.004 0.000 0.288 195 T C 0.431 175.154 174.700 0.038 0.000 0.980 195 T CA 0.607 62.727 62.100 0.033 0.000 1.071 195 T CB 1.265 70.129 68.868 -0.008 0.000 0.941 195 T HN 1.537 nan 8.240 nan 0.000 0.487 196 G N 0.651 109.488 108.800 0.060 0.000 2.660 196 G HA2 0.670 4.632 3.960 0.004 0.000 0.294 196 G HA3 0.670 4.632 3.960 0.004 0.000 0.294 196 G C -1.168 173.755 174.900 0.040 0.000 1.369 196 G CA -0.554 44.570 45.100 0.040 0.000 0.912 196 G HN 0.766 nan 8.290 nan 0.000 0.479 197 T N -1.512 113.052 114.554 0.016 0.000 2.843 197 T HA 0.871 5.223 4.350 0.004 0.000 0.302 197 T C -1.064 173.618 174.700 -0.031 0.000 1.232 197 T CA 0.487 62.593 62.100 0.010 0.000 1.009 197 T CB 1.663 70.559 68.868 0.048 0.000 1.254 197 T HN 2.108 nan 8.240 nan 0.000 0.504 198 A N 1.335 124.130 122.820 -0.041 0.000 2.586 198 A HA 0.850 5.172 4.320 0.004 0.000 0.291 198 A C -0.812 176.745 177.584 -0.045 0.000 1.062 198 A CA -0.109 51.886 52.037 -0.070 0.000 0.666 198 A CB 0.970 19.886 19.000 -0.141 0.000 1.281 198 A HN 1.758 nan 8.150 nan 0.000 0.421 199 S N 0.144 115.819 115.700 -0.042 0.000 2.638 199 S HA 0.952 5.425 4.470 0.004 0.000 0.274 199 S C -1.324 173.262 174.600 -0.023 0.000 1.157 199 S CA -0.932 57.253 58.200 -0.025 0.000 0.826 199 S CB 1.843 65.041 63.200 -0.003 0.000 1.139 199 S HN 0.923 nan 8.310 nan 0.000 0.474 200 R N 0.304 120.799 120.500 -0.010 0.000 2.651 200 R HA 0.635 4.977 4.340 0.004 0.000 0.278 200 R C -1.664 174.646 176.300 0.016 0.000 1.010 200 R CA -0.691 55.410 56.100 0.003 0.000 0.896 200 R CB 1.895 32.201 30.300 0.011 0.000 1.211 200 R HN 0.622 nan 8.270 nan 0.000 0.456 201 V N 3.014 122.940 119.914 0.020 0.000 2.398 201 V HA 0.496 4.618 4.120 0.004 0.000 0.286 201 V C 0.208 176.333 176.094 0.052 0.000 1.026 201 V CA -0.710 61.609 62.300 0.031 0.000 0.868 201 V CB 1.655 33.482 31.823 0.008 0.000 0.982 201 V HN 0.577 nan 8.190 nan 0.000 0.443 202 V N 1.583 121.553 119.914 0.094 0.000 3.001 202 V HA 0.700 4.822 4.120 0.004 0.000 0.314 202 V C -0.476 175.717 176.094 0.165 0.000 1.099 202 V CA -0.810 61.561 62.300 0.119 0.000 0.989 202 V CB 2.076 33.983 31.823 0.139 0.000 1.040 202 V HN 0.857 nan 8.190 nan 0.000 0.434 203 E N 1.691 121.981 120.200 0.150 0.000 2.191 203 E HA 0.522 4.874 4.350 0.004 0.000 0.278 203 E C -2.193 174.572 176.600 0.274 0.000 0.972 203 E CA -0.611 55.889 56.400 0.166 0.000 0.804 203 E CB 1.786 31.530 29.700 0.072 0.000 1.110 203 E HN 0.719 nan 8.360 nan 0.000 0.394 204 F N 2.677 122.752 119.950 0.208 0.000 2.617 204 F HA 0.371 4.900 4.527 0.004 0.000 0.325 204 F C 0.442 176.348 175.800 0.176 0.000 1.179 204 F CA 0.156 58.256 58.000 0.166 0.000 0.965 204 F CB 1.618 40.702 39.000 0.139 0.000 1.232 204 F HN 0.668 nan 8.300 nan 0.000 0.461 205 G N 3.540 112.279 108.800 -0.102 0.000 2.341 205 G HA2 0.074 4.037 3.960 0.004 0.000 0.292 205 G HA3 0.074 4.037 3.960 0.004 0.000 0.292 205 G C 1.083 176.036 174.900 0.088 0.000 1.021 205 G CA 0.729 45.832 45.100 0.006 0.000 0.905 205 G HN 2.281 nan 8.290 nan 0.000 0.508 206 G N -1.964 106.873 108.800 0.060 0.000 2.148 206 G HA2 -0.261 3.702 3.960 0.004 0.000 0.254 206 G HA3 -0.261 3.702 3.960 0.004 0.000 0.254 206 G C 0.371 175.293 174.900 0.036 0.000 0.981 206 G CA 1.062 46.185 45.100 0.039 0.000 0.670 206 G HN 1.013 nan 8.290 nan 0.000 0.528 207 R N -0.497 120.053 120.500 0.084 0.000 2.854 207 R HA 0.683 5.025 4.340 0.004 0.000 0.271 207 R C -0.796 175.378 176.300 -0.209 0.000 0.994 207 R CA -0.346 55.707 56.100 -0.079 0.000 0.945 207 R CB 1.902 32.169 30.300 -0.055 0.000 1.194 207 R HN 0.191 nan 8.270 nan 0.000 0.476 208 S N 1.237 116.660 115.700 -0.461 0.000 2.451 208 S HA 0.701 5.173 4.470 0.004 0.000 0.301 208 S C -1.280 172.935 174.600 -0.642 0.000 1.116 208 S CA -0.450 57.552 58.200 -0.329 0.000 1.093 208 S CB 0.392 63.474 63.200 -0.196 0.000 1.017 208 S HN 0.350 nan 8.310 nan 0.000 0.482 209 F N 1.086 121.045 119.950 0.016 0.000 2.620 209 F HA 0.558 5.087 4.527 0.004 0.000 0.320 209 F C 0.413 176.203 175.800 -0.017 0.000 1.069 209 F CA -0.648 57.346 58.000 -0.010 0.000 0.953 209 F CB 2.299 41.276 39.000 -0.039 0.000 1.322 209 F HN 0.329 nan 8.300 nan 0.000 0.479 210 T N 2.243 116.895 114.554 0.162 0.000 2.863 210 T HA 0.703 5.055 4.350 0.004 0.000 0.285 210 T C -1.072 173.651 174.700 0.038 0.000 1.009 210 T CA -0.384 61.759 62.100 0.072 0.000 0.989 210 T CB 1.549 70.439 68.868 0.036 0.000 1.004 210 T HN 0.206 nan 8.240 nan 0.000 0.455 211 I N 2.212 122.788 120.570 0.009 0.000 2.389 211 I HA 0.625 4.797 4.170 0.004 0.000 0.288 211 I C 0.591 176.683 176.117 -0.042 0.000 0.999 211 I CA -0.090 61.191 61.300 -0.032 0.000 1.129 211 I CB 1.759 39.742 38.000 -0.028 0.000 1.288 211 I HN 0.765 nan 8.210 nan 0.000 0.444 212 G N 3.926 112.683 108.800 -0.071 0.000 2.481 212 G HA2 0.882 4.844 3.960 0.004 0.000 0.315 212 G HA3 0.882 4.844 3.960 0.004 0.000 0.315 212 G C -1.642 173.213 174.900 -0.076 0.000 1.231 212 G CA -0.752 44.313 45.100 -0.057 0.000 0.968 212 G HN 0.775 nan 8.290 nan 0.000 0.482 213 A N 0.547 123.336 122.820 -0.051 0.000 2.435 213 A HA 0.844 5.166 4.320 0.004 0.000 0.304 213 A C -1.378 176.198 177.584 -0.014 0.000 1.064 213 A CA -0.645 51.364 52.037 -0.047 0.000 0.727 213 A CB 1.934 20.899 19.000 -0.058 0.000 1.284 213 A HN 1.213 nan 8.150 nan 0.000 0.415 214 L N 2.211 123.439 121.223 0.008 0.000 2.436 214 L HA 0.796 5.138 4.340 0.004 0.000 0.268 214 L C -1.610 175.288 176.870 0.048 0.000 0.974 214 L CA -0.625 54.241 54.840 0.043 0.000 0.826 214 L CB 1.948 44.049 42.059 0.071 0.000 1.291 214 L HN 0.556 nan 8.230 nan 0.000 0.406 215 V N 3.803 123.748 119.914 0.053 0.000 2.864 215 V HA 0.442 4.564 4.120 0.004 0.000 0.314 215 V C -0.771 175.367 176.094 0.073 0.000 1.073 215 V CA -0.470 61.861 62.300 0.050 0.000 0.956 215 V CB 2.168 34.008 31.823 0.028 0.000 1.023 215 V HN 0.829 nan 8.190 nan 0.000 0.435 216 Q N 2.896 122.739 119.800 0.071 0.000 2.456 216 Q HA 0.683 5.025 4.340 0.004 0.000 0.252 216 Q C -0.653 175.395 176.000 0.080 0.000 1.042 216 Q CA -0.514 55.336 55.803 0.078 0.000 0.766 216 Q CB 1.304 30.089 28.738 0.077 0.000 1.196 216 Q HN 0.898 nan 8.270 nan 0.000 0.504 217 A N 3.830 126.719 122.820 0.114 0.000 2.279 217 A HA 0.383 4.705 4.320 0.004 0.000 0.306 217 A C -0.108 177.615 177.584 0.232 0.000 1.300 217 A CA -0.469 51.690 52.037 0.204 0.000 0.925 217 A CB 0.213 19.382 19.000 0.282 0.000 1.152 217 A HN 0.835 nan 8.150 nan 0.000 0.544 218 N N 1.129 119.989 118.700 0.266 0.000 2.387 218 N HA 0.082 4.824 4.740 0.004 0.000 0.259 218 N C -0.416 175.202 175.510 0.179 0.000 1.369 218 N CA -0.287 52.867 53.050 0.173 0.000 0.867 218 N CB 0.277 38.834 38.487 0.117 0.000 1.341 218 N HN 0.854 nan 8.380 nan 0.000 0.495 219 H N -1.417 117.627 119.070 -0.045 0.000 2.797 219 H HA 0.820 5.378 4.556 0.004 0.000 0.362 219 H C 0.415 175.513 175.328 -0.384 0.000 1.183 219 H CA -0.151 55.832 56.048 -0.109 0.000 1.197 219 H CB 1.028 30.776 29.762 -0.023 0.000 1.835 219 H HN 0.126 nan 8.280 nan 0.000 0.567 220 G N 0.349 108.889 108.800 -0.432 0.000 2.699 220 G HA2 -0.073 3.890 3.960 0.004 0.000 0.686 220 G HA3 -0.073 3.890 3.960 0.004 0.000 0.686 220 G C -1.410 173.120 174.900 -0.617 0.000 1.301 220 G CA -0.582 44.087 45.100 -0.717 0.000 0.816 220 G HN 0.846 nan 8.290 nan 0.000 0.595 221 Q N -0.788 118.566 119.800 -0.744 0.000 2.387 221 Q HA 0.595 4.937 4.340 0.004 0.000 0.273 221 Q C 1.269 177.040 176.000 -0.382 0.000 1.089 221 Q CA -1.086 54.258 55.803 -0.764 0.000 0.824 221 Q CB 2.060 29.937 28.738 -1.435 0.000 1.367 221 Q HN 0.616 nan 8.270 nan 0.000 0.443 222 R N 1.082 121.412 120.500 -0.283 0.000 2.096 222 R HA -0.202 4.140 4.340 0.004 0.000 0.240 222 R C 0.826 177.082 176.300 -0.072 0.000 1.139 222 R CA 2.317 58.328 56.100 -0.147 0.000 0.952 222 R CB -0.157 29.991 30.300 -0.254 0.000 0.854 222 R HN 0.663 nan 8.270 nan 0.000 0.436 223 D N -0.959 119.341 120.400 -0.166 0.000 2.221 223 D HA -0.183 4.459 4.640 0.004 0.000 0.204 223 D C 1.283 177.690 176.300 0.178 0.000 0.982 223 D CA 0.923 54.906 54.000 -0.028 0.000 0.857 223 D CB -0.221 40.556 40.800 -0.039 0.000 0.934 223 D HN 0.396 nan 8.370 nan 0.000 0.475 224 W N 0.577 121.943 121.300 0.110 0.000 2.770 224 W HA 0.192 4.855 4.660 0.004 0.000 0.256 224 W C 0.613 177.173 176.519 0.068 0.000 1.291 224 W CA -0.842 56.578 57.345 0.124 0.000 1.396 224 W CB -1.149 28.442 29.460 0.219 0.000 1.114 224 W HN -0.048 nan 8.180 nan 0.000 0.637 225 L N 2.174 123.531 121.223 0.224 0.000 2.601 225 L HA 0.045 4.387 4.340 0.004 0.000 0.277 225 L C 0.044 176.860 176.870 -0.090 0.000 1.219 225 L CA 1.413 56.162 54.840 -0.151 0.000 0.915 225 L CB 0.214 42.210 42.059 -0.105 0.000 1.160 225 L HN -0.245 nan 8.230 nan 0.000 0.494 226 T N 6.829 121.283 114.554 -0.167 0.000 2.881 226 T HA 0.637 4.989 4.350 0.004 0.000 0.290 226 T C -0.474 174.142 174.700 -0.140 0.000 1.000 226 T CA -0.293 61.741 62.100 -0.111 0.000 0.978 226 T CB 1.029 69.856 68.868 -0.068 0.000 0.997 226 T HN 0.448 nan 8.240 nan 0.000 0.443 227 I N 2.113 122.604 120.570 -0.131 0.000 2.478 227 I HA 0.506 4.678 4.170 0.004 0.000 0.287 227 I C 0.550 176.572 176.117 -0.158 0.000 1.042 227 I CA -0.902 60.322 61.300 -0.128 0.000 1.067 227 I CB 1.721 39.654 38.000 -0.112 0.000 1.233 227 I HN 0.918 nan 8.210 nan 0.000 0.431 228 A N 4.520 127.230 122.820 -0.184 0.000 2.832 228 A HA -0.097 4.225 4.320 0.004 0.000 0.280 228 A C 1.415 178.905 177.584 -0.156 0.000 1.464 228 A CA 1.139 53.048 52.037 -0.212 0.000 0.804 228 A CB -1.933 16.923 19.000 -0.241 0.000 1.020 228 A HN 1.986 nan 8.150 nan 0.000 0.563 229 G N -3.808 104.914 108.800 -0.130 0.000 2.184 229 G HA2 -0.030 3.932 3.960 0.004 0.000 0.264 229 G HA3 -0.030 3.932 3.960 0.004 0.000 0.264 229 G C 0.404 175.210 174.900 -0.156 0.000 0.975 229 G CA 0.614 45.647 45.100 -0.112 0.000 0.642 229 G HN 1.844 nan 8.290 nan 0.000 0.536 230 V N 2.371 122.156 119.914 -0.215 0.000 2.481 230 V HA 0.481 4.603 4.120 0.004 0.000 0.286 230 V C -1.443 174.497 176.094 -0.257 0.000 1.042 230 V CA -1.234 60.841 62.300 -0.374 0.000 0.928 230 V CB 1.779 33.328 31.823 -0.457 0.000 0.986 230 V HN 0.141 nan 8.190 nan 0.000 0.462 231 P HA 0.121 nan 4.420 nan 0.000 0.230 231 P C 0.975 178.314 177.300 0.065 0.000 1.791 231 P CA 0.085 63.155 63.100 -0.051 0.000 1.020 231 P CB 0.512 32.207 31.700 -0.008 0.000 1.977 232 V N 1.800 121.731 119.914 0.027 0.000 2.392 232 V HA -0.206 3.917 4.120 0.004 0.000 0.249 232 V C 2.745 178.941 176.094 0.170 0.000 1.059 232 V CA 2.694 65.055 62.300 0.102 0.000 1.051 232 V CB -1.503 30.333 31.823 0.021 0.000 0.658 232 V HN 0.380 nan 8.190 nan 0.000 0.455 233 G N -0.960 107.910 108.800 0.117 0.000 2.448 233 G HA2 -0.229 3.734 3.960 0.004 0.000 0.219 233 G HA3 -0.229 3.734 3.960 0.004 0.000 0.219 233 G C 1.435 176.378 174.900 0.071 0.000 1.127 233 G CA 0.423 45.588 45.100 0.108 0.000 0.766 233 G HN 0.486 nan 8.290 nan 0.000 0.552 234 Q N 0.049 119.878 119.800 0.048 0.000 2.297 234 Q HA -0.018 4.324 4.340 0.004 0.000 0.204 234 Q C 1.895 177.809 176.000 -0.143 0.000 0.962 234 Q CA 0.869 56.633 55.803 -0.065 0.000 0.879 234 Q CB -0.187 28.475 28.738 -0.127 0.000 0.947 234 Q HN 0.672 nan 8.270 nan 0.000 0.462 235 H N -1.558 117.554 119.070 0.071 0.000 2.582 235 H HA 0.271 4.829 4.556 0.004 0.000 0.269 235 H C 0.337 175.715 175.328 0.083 0.000 0.962 235 H CA 0.197 56.295 56.048 0.082 0.000 1.230 235 H CB 0.709 30.535 29.762 0.106 0.000 1.445 235 H HN 0.131 nan 8.280 nan 0.000 0.528 236 M N 1.247 120.973 119.600 0.209 0.000 2.325 236 M HA 0.251 4.734 4.480 0.004 0.000 0.305 236 M C 0.636 177.003 176.300 0.112 0.000 1.047 236 M CA -0.062 55.359 55.300 0.202 0.000 0.981 236 M CB 1.385 34.175 32.600 0.317 0.000 1.307 236 M HN -0.063 nan 8.290 nan 0.000 0.418 237 R N 0.641 121.171 120.500 0.049 0.000 2.312 237 R HA 0.070 4.412 4.340 0.004 0.000 0.205 237 R C 0.007 176.277 176.300 -0.050 0.000 0.904 237 R CA 0.321 56.408 56.100 -0.020 0.000 1.052 237 R CB 0.316 30.607 30.300 -0.014 0.000 1.014 237 R HN 0.650 nan 8.270 nan 0.000 0.503 238 D N -0.286 120.102 120.400 -0.019 0.000 2.283 238 D HA 0.155 4.797 4.640 0.004 0.000 0.248 238 D C 0.778 177.041 176.300 -0.062 0.000 1.072 238 D CA 0.036 54.021 54.000 -0.026 0.000 0.929 238 D CB 1.307 42.116 40.800 0.016 0.000 1.182 238 D HN 0.092 nan 8.370 nan 0.000 0.433 239 G N 1.509 110.274 108.800 -0.058 0.000 2.160 239 G HA2 -0.279 3.683 3.960 0.004 0.000 0.251 239 G HA3 -0.279 3.683 3.960 0.004 0.000 0.251 239 G C 0.466 175.297 174.900 -0.115 0.000 1.008 239 G CA 0.600 45.663 45.100 -0.062 0.000 0.724 239 G HN 1.039 nan 8.290 nan 0.000 0.514 240 T N -1.884 112.581 114.554 -0.149 0.000 2.926 240 T HA 0.465 4.817 4.350 0.004 0.000 0.307 240 T C -0.562 174.064 174.700 -0.123 0.000 1.059 240 T CA -0.515 61.476 62.100 -0.182 0.000 1.122 240 T CB 1.669 70.425 68.868 -0.187 0.000 0.972 240 T HN -0.013 nan 8.240 nan 0.000 0.545 241 P HA -0.130 nan 4.420 nan 0.000 0.216 241 P C 1.770 179.026 177.300 -0.073 0.000 1.150 241 P CA 1.018 64.069 63.100 -0.081 0.000 0.843 241 P CB 0.063 31.717 31.700 -0.077 0.000 0.787 242 Q N -0.130 119.616 119.800 -0.090 0.000 2.061 242 Q HA -0.167 4.175 4.340 0.004 0.000 0.204 242 Q C 2.215 178.177 176.000 -0.062 0.000 0.984 242 Q CA 2.303 58.059 55.803 -0.077 0.000 0.846 242 Q CB -0.422 28.259 28.738 -0.096 0.000 0.902 242 Q HN 0.287 nan 8.270 nan 0.000 0.421 243 S N -0.493 115.166 115.700 -0.068 0.000 2.447 243 S HA -0.171 4.302 4.470 0.004 0.000 0.233 243 S C 1.592 176.167 174.600 -0.042 0.000 1.006 243 S CA 1.122 59.290 58.200 -0.053 0.000 0.957 243 S CB -0.128 63.039 63.200 -0.056 0.000 0.773 243 S HN 0.420 nan 8.310 nan 0.000 0.507 244 Q N 0.297 120.071 119.800 -0.043 0.000 2.354 244 Q HA 0.337 4.679 4.340 0.004 0.000 0.203 244 Q C 0.463 176.446 176.000 -0.027 0.000 0.933 244 Q CA 0.317 56.100 55.803 -0.033 0.000 0.901 244 Q CB -0.061 28.658 28.738 -0.032 0.000 1.007 244 Q HN 0.543 nan 8.270 nan 0.000 0.495 251 I N 2.495 123.080 120.570 0.024 0.000 2.610 251 I HA 0.547 4.719 4.170 0.004 0.000 0.289 251 I C -1.852 174.303 176.117 0.065 0.000 1.163 251 I CA -0.799 60.474 61.300 -0.044 0.000 1.044 251 I CB 0.789 38.563 38.000 -0.377 0.000 1.251 251 I HN 0.544 nan 8.210 nan 0.000 0.424 252 I N 8.076 128.691 120.570 0.074 0.000 2.336 252 I HA 0.419 4.591 4.170 0.004 0.000 0.292 252 I C -0.273 175.925 176.117 0.135 0.000 0.991 252 I CA -0.675 60.694 61.300 0.115 0.000 1.227 252 I CB 1.535 39.582 38.000 0.079 0.000 1.366 252 I HN 0.231 nan 8.210 nan 0.000 0.466 253 V N 7.206 127.254 119.914 0.224 0.000 2.495 253 V HA 0.478 4.600 4.120 0.004 0.000 0.298 253 V C -0.117 176.054 176.094 0.128 0.000 1.031 253 V CA -0.709 61.662 62.300 0.118 0.000 0.871 253 V CB 2.545 34.358 31.823 -0.018 0.000 0.988 253 V HN 0.416 nan 8.190 nan 0.000 0.432 254 V N 6.534 126.496 119.914 0.080 0.000 2.407 254 V HA 0.494 4.616 4.120 0.004 0.000 0.291 254 V C -0.389 175.712 176.094 0.012 0.000 1.018 254 V CA -0.393 61.967 62.300 0.101 0.000 0.842 254 V CB 1.585 33.496 31.823 0.147 0.000 0.996 254 V HN 0.632 nan 8.190 nan 0.000 0.426 255 L N 4.449 125.651 121.223 -0.034 0.000 2.322 255 L HA 0.904 5.247 4.340 0.004 0.000 0.281 255 L C 0.205 176.844 176.870 -0.385 0.000 1.014 255 L CA -0.343 54.413 54.840 -0.141 0.000 0.815 255 L CB 1.860 43.865 42.059 -0.089 0.000 1.247 255 L HN 0.730 nan 8.230 nan 0.000 0.421 256 A N 2.073 124.614 122.820 -0.466 0.000 2.401 256 A HA 0.868 5.190 4.320 0.004 0.000 0.310 256 A C -0.611 176.752 177.584 -0.368 0.000 1.075 256 A CA -0.476 51.087 52.037 -0.791 0.000 0.746 256 A CB 2.122 20.668 19.000 -0.757 0.000 1.277 256 A HN 0.557 nan 8.150 nan 0.000 0.425 257 T N -0.527 113.852 114.554 -0.291 0.000 2.853 257 T HA 0.474 4.826 4.350 0.004 0.000 0.311 257 T C -1.049 173.625 174.700 -0.043 0.000 1.307 257 T CA 0.123 62.150 62.100 -0.122 0.000 1.019 257 T CB 1.442 70.239 68.868 -0.119 0.000 1.264 257 T HN 0.720 nan 8.240 nan 0.000 0.497 258 D N 2.012 122.439 120.400 0.046 0.000 2.363 258 D HA 0.165 4.807 4.640 0.004 0.000 0.214 258 D C 0.630 177.012 176.300 0.137 0.000 1.093 258 D CA -0.334 53.743 54.000 0.128 0.000 0.837 258 D CB -0.176 40.733 40.800 0.181 0.000 0.948 258 D HN 0.273 nan 8.370 nan 0.000 0.507 259 L N 2.283 123.432 121.223 -0.122 0.000 2.453 259 L HA 0.250 4.592 4.340 0.004 0.000 0.272 259 L C -2.313 174.349 176.870 -0.346 0.000 1.182 259 L CA -1.555 52.919 54.840 -0.610 0.000 0.858 259 L CB 0.413 42.037 42.059 -0.726 0.000 1.120 259 L HN -0.172 nan 8.230 nan 0.000 0.474 260 P HA 0.186 nan 4.420 nan 0.000 0.277 260 P C -1.242 175.930 177.300 -0.214 0.000 1.354 260 P CA -0.253 62.749 63.100 -0.164 0.000 0.891 260 P CB 0.614 32.255 31.700 -0.098 0.000 1.058 261 L N 4.286 125.415 121.223 -0.156 0.000 2.370 261 L HA 0.533 4.875 4.340 0.004 0.000 0.266 261 L C 0.455 177.227 176.870 -0.162 0.000 1.002 261 L CA -0.890 53.841 54.840 -0.182 0.000 0.818 261 L CB 1.737 43.700 42.059 -0.161 0.000 1.325 261 L HN 0.276 nan 8.230 nan 0.000 0.418 262 M N 2.689 122.142 119.600 -0.246 0.000 2.494 262 M HA 0.371 4.854 4.480 0.004 0.000 0.300 262 M C -1.365 174.821 176.300 -0.190 0.000 1.189 262 M CA -2.014 53.126 55.300 -0.268 0.000 0.982 262 M CB 0.694 33.183 32.600 -0.185 0.000 1.534 262 M HN 0.225 nan 8.290 nan 0.000 0.488 263 P HA -0.196 nan 4.420 nan 0.000 0.216 263 P C 1.339 178.664 177.300 0.040 0.000 1.153 263 P CA 1.673 64.804 63.100 0.051 0.000 0.858 263 P CB -0.328 31.432 31.700 0.099 0.000 0.789 264 H N -0.565 118.508 119.070 0.007 0.000 2.423 264 H HA -0.047 4.512 4.556 0.004 0.000 0.297 264 H C 1.547 176.895 175.328 0.032 0.000 1.075 264 H CA 1.221 57.280 56.048 0.019 0.000 1.342 264 H CB -0.973 28.794 29.762 0.007 0.000 1.395 264 H HN 0.244 nan 8.280 nan 0.000 0.530 265 Q N 0.453 119.948 119.800 -0.508 0.000 2.137 265 Q HA 0.064 4.407 4.340 0.004 0.000 0.198 265 Q C 2.692 178.644 176.000 -0.079 0.000 0.960 265 Q CA 0.818 56.453 55.803 -0.281 0.000 0.847 265 Q CB 0.232 28.744 28.738 -0.378 0.000 0.915 265 Q HN 0.383 nan 8.270 nan 0.000 0.448 266 L N 0.584 121.773 121.223 -0.056 0.000 2.156 266 L HA -0.159 4.184 4.340 0.004 0.000 0.208 266 L C 2.209 179.120 176.870 0.069 0.000 1.095 266 L CA 1.050 55.909 54.840 0.032 0.000 0.770 266 L CB -0.188 41.921 42.059 0.084 0.000 0.914 266 L HN 0.097 nan 8.230 nan 0.000 0.439 267 K N -0.054 120.388 120.400 0.070 0.000 2.063 267 K HA -0.170 4.152 4.320 0.004 0.000 0.208 267 K C 2.249 178.879 176.600 0.051 0.000 1.048 267 K CA 1.340 57.680 56.287 0.089 0.000 0.928 267 K CB -0.093 32.464 32.500 0.095 0.000 0.713 267 K HN 0.319 nan 8.250 nan 0.000 0.442 268 R N 0.497 121.016 120.500 0.031 0.000 2.075 268 R HA -0.110 4.232 4.340 0.004 0.000 0.232 268 R C 2.366 178.630 176.300 -0.061 0.000 1.126 268 R CA 0.898 56.983 56.100 -0.025 0.000 0.963 268 R CB -0.500 29.815 30.300 0.025 0.000 0.858 268 R HN 0.087 nan 8.270 nan 0.000 0.435 269 L N 1.208 122.463 121.223 0.052 0.000 2.012 269 L HA -0.149 4.193 4.340 0.004 0.000 0.210 269 L C 2.313 179.190 176.870 0.013 0.000 1.073 269 L CA 2.055 56.937 54.840 0.070 0.000 0.748 269 L CB -0.669 41.449 42.059 0.099 0.000 0.891 269 L HN 0.168 nan 8.230 nan 0.000 0.431 270 A N -0.873 121.985 122.820 0.063 0.000 1.972 270 A HA -0.232 4.090 4.320 0.004 0.000 0.219 270 A C 2.496 180.180 177.584 0.166 0.000 1.169 270 A CA 1.632 53.752 52.037 0.138 0.000 0.635 270 A CB -0.648 18.492 19.000 0.233 0.000 0.810 270 A HN 0.493 nan 8.150 nan 0.000 0.446 271 R N -0.793 119.714 120.500 0.011 0.000 2.152 271 R HA -0.084 4.258 4.340 0.004 0.000 0.232 271 R C 1.851 178.069 176.300 -0.136 0.000 1.117 271 R CA 0.788 56.775 56.100 -0.189 0.000 0.981 271 R CB -0.078 29.990 30.300 -0.385 0.000 0.870 271 R HN 0.292 nan 8.270 nan 0.000 0.451 272 R N -0.267 120.131 120.500 -0.171 0.000 2.237 272 R HA -0.006 4.336 4.340 0.004 0.000 0.219 272 R C 1.826 177.996 176.300 -0.216 0.000 1.080 272 R CA 0.980 56.958 56.100 -0.203 0.000 0.995 272 R CB -0.540 29.633 30.300 -0.213 0.000 0.875 272 R HN 0.215 nan 8.270 nan 0.000 0.462 273 A N 0.587 123.224 122.820 -0.306 0.000 2.125 273 A HA -0.089 4.234 4.320 0.004 0.000 0.219 273 A C 2.197 179.347 177.584 -0.723 0.000 1.156 273 A CA 1.321 52.969 52.037 -0.648 0.000 0.671 273 A CB -0.282 18.033 19.000 -1.142 0.000 0.794 273 A HN 0.218 nan 8.150 nan 0.000 0.459 274 S N 0.080 115.581 115.700 -0.331 0.000 2.356 274 S HA -0.133 4.339 4.470 0.004 0.000 0.223 274 S C 1.768 176.206 174.600 -0.270 0.000 1.032 274 S CA 1.540 59.574 58.200 -0.276 0.000 1.005 274 S CB -0.444 62.714 63.200 -0.069 0.000 0.867 274 S HN 0.609 nan 8.310 nan 0.000 0.449 275 I N 1.459 121.923 120.570 -0.176 0.000 2.315 275 I HA -0.120 4.052 4.170 0.004 0.000 0.248 275 I C 2.690 178.736 176.117 -0.119 0.000 1.117 275 I CA 1.066 62.295 61.300 -0.118 0.000 1.404 275 I CB -0.908 37.041 38.000 -0.086 0.000 1.071 275 I HN 0.370 nan 8.210 nan 0.000 0.419 276 G N 2.124 110.823 108.800 -0.168 0.000 2.418 276 G HA2 -0.242 3.721 3.960 0.004 0.000 0.217 276 G HA3 -0.242 3.721 3.960 0.004 0.000 0.217 276 G C 1.649 176.487 174.900 -0.103 0.000 1.158 276 G CA 1.067 46.086 45.100 -0.136 0.000 0.771 276 G HN 0.598 nan 8.290 nan 0.000 0.545 277 I N -1.477 118.993 120.570 -0.167 0.000 2.761 277 I HA 0.239 4.411 4.170 0.004 0.000 0.261 277 I C 2.410 178.568 176.117 0.067 0.000 1.198 277 I CA 1.017 62.302 61.300 -0.024 0.000 1.482 277 I CB -0.325 37.638 38.000 -0.061 0.000 1.100 277 I HN 0.031 nan 8.210 nan 0.000 0.445 278 G N 1.087 109.875 108.800 -0.020 0.000 2.534 278 G HA2 -0.073 3.889 3.960 0.004 0.000 0.217 278 G HA3 -0.073 3.889 3.960 0.004 0.000 0.217 278 G C 1.669 176.590 174.900 0.035 0.000 1.128 278 G CA -0.104 45.005 45.100 0.014 0.000 0.784 278 G HN 0.194 nan 8.290 nan 0.000 0.542 279 R N 0.712 121.230 120.500 0.029 0.000 2.120 279 R HA 0.003 4.345 4.340 0.004 0.000 0.234 279 R C 1.190 177.505 176.300 0.026 0.000 1.123 279 R CA 0.638 56.752 56.100 0.023 0.000 0.975 279 R CB -0.254 30.063 30.300 0.029 0.000 0.866 279 R HN 0.305 nan 8.270 nan 0.000 0.446 280 N N -0.645 118.095 118.700 0.066 0.000 2.270 280 N HA 0.054 4.796 4.740 0.004 0.000 0.198 280 N C 0.908 176.391 175.510 -0.045 0.000 1.117 280 N CA 0.838 53.870 53.050 -0.029 0.000 0.845 280 N CB 1.362 39.805 38.487 -0.074 0.000 0.980 280 N HN 0.404 nan 8.380 nan 0.000 0.486 281 G N 0.021 108.886 108.800 0.108 0.000 2.352 281 G HA2 -0.244 3.718 3.960 0.004 0.000 0.204 281 G HA3 -0.244 3.718 3.960 0.004 0.000 0.204 281 G C 0.405 175.430 174.900 0.209 0.000 1.004 281 G CA 0.097 45.291 45.100 0.156 0.000 0.648 281 G HN 0.376 nan 8.290 nan 0.000 0.491 282 T N 2.794 117.572 114.554 0.373 0.000 2.932 282 T HA 0.475 4.827 4.350 0.004 0.000 0.312 282 T C -0.542 174.077 174.700 -0.136 0.000 1.071 282 T CA 0.068 62.247 62.100 0.131 0.000 1.128 282 T CB 1.294 70.361 68.868 0.330 0.000 0.984 282 T HN 0.139 nan 8.240 nan 0.000 0.549 283 P HA 0.285 nan 4.420 nan 0.000 0.267 283 P C 0.224 177.517 177.300 -0.011 0.000 1.289 283 P CA 0.131 63.087 63.100 -0.239 0.000 0.866 283 P CB -0.115 31.341 31.700 -0.407 0.000 1.309 284 G N 0.162 108.997 108.800 0.060 0.000 2.897 284 G HA2 0.080 4.042 3.960 0.004 0.000 0.436 284 G HA3 0.080 4.042 3.960 0.004 0.000 0.436 284 G C 0.193 175.197 174.900 0.174 0.000 1.079 284 G CA -0.687 44.591 45.100 0.296 0.000 1.090 284 G HN 0.481 nan 8.290 nan 0.000 0.480 285 G N 0.772 109.705 108.800 0.221 0.000 2.527 285 G HA2 0.425 4.387 3.960 0.004 0.000 0.248 285 G HA3 0.425 4.387 3.960 0.004 0.000 0.248 285 G C 0.973 175.957 174.900 0.139 0.000 1.231 285 G CA 0.408 45.647 45.100 0.233 0.000 0.838 285 G HN 0.955 nan 8.290 nan 0.000 0.570 286 N N 0.931 119.690 118.700 0.099 0.000 2.166 286 N HA -0.142 4.600 4.740 0.004 0.000 0.186 286 N C 1.648 177.175 175.510 0.029 0.000 1.019 286 N CA 1.427 54.502 53.050 0.041 0.000 0.856 286 N CB 0.023 38.527 38.487 0.028 0.000 0.993 286 N HN 0.400 nan 8.380 nan 0.000 0.426 287 N N -0.522 118.202 118.700 0.040 0.000 2.461 287 N HA 0.014 4.756 4.740 0.004 0.000 0.188 287 N C -0.677 174.847 175.510 0.023 0.000 1.134 287 N CA 0.191 53.246 53.050 0.008 0.000 0.878 287 N CB 0.021 38.503 38.487 -0.008 0.000 0.972 287 N HN 0.070 nan 8.380 nan 0.000 0.456 288 S N -0.210 115.531 115.700 0.069 0.000 2.430 288 S HA 0.460 4.932 4.470 0.004 0.000 0.289 288 S C 0.441 175.079 174.600 0.063 0.000 1.143 288 S CA -0.858 57.399 58.200 0.095 0.000 1.067 288 S CB 0.349 63.652 63.200 0.171 0.000 0.964 288 S HN 0.288 nan 8.310 nan 0.000 0.485 289 G N 3.741 112.564 108.800 0.037 0.000 2.621 289 G HA2 0.288 4.250 3.960 0.004 0.000 0.306 289 G HA3 0.288 4.250 3.960 0.004 0.000 0.306 289 G C -0.827 174.070 174.900 -0.005 0.000 0.893 289 G CA -0.500 44.601 45.100 0.001 0.000 1.486 289 G HN 0.659 nan 8.290 nan 0.000 0.477 290 D N 2.434 122.819 120.400 -0.026 0.000 2.473 290 D HA 0.377 5.019 4.640 0.004 0.000 0.226 290 D C 0.098 176.126 176.300 -0.453 0.000 1.089 290 D CA 0.122 54.081 54.000 -0.067 0.000 0.883 290 D CB 1.471 42.355 40.800 0.140 0.000 1.029 290 D HN 0.266 nan 8.370 nan 0.000 0.517 291 I N 2.204 122.536 120.570 -0.396 0.000 2.498 291 I HA 0.413 4.585 4.170 0.004 0.000 0.290 291 I C -0.946 175.050 176.117 -0.201 0.000 1.032 291 I CA -0.954 60.071 61.300 -0.459 0.000 1.073 291 I CB 1.418 39.299 38.000 -0.199 0.000 1.251 291 I HN -0.021 nan 8.210 nan 0.000 0.426 292 F N 6.373 126.347 119.950 0.040 0.000 2.520 292 F HA 0.652 5.181 4.527 0.004 0.000 0.322 292 F C -0.251 175.592 175.800 0.071 0.000 1.103 292 F CA -1.275 56.758 58.000 0.055 0.000 0.926 292 F CB 1.660 40.710 39.000 0.083 0.000 1.154 292 F HN 0.214 nan 8.300 nan 0.000 0.453 293 I N 1.984 122.709 120.570 0.258 0.000 2.545 293 I HA 0.854 5.027 4.170 0.004 0.000 0.292 293 I C -1.375 174.873 176.117 0.219 0.000 1.040 293 I CA -0.618 60.805 61.300 0.206 0.000 1.068 293 I CB 1.562 39.644 38.000 0.136 0.000 1.251 293 I HN 0.740 nan 8.210 nan 0.000 0.424 294 A N 7.001 129.954 122.820 0.221 0.000 2.355 294 A HA 0.829 5.151 4.320 0.004 0.000 0.317 294 A C -1.232 176.517 177.584 0.274 0.000 1.094 294 A CA -0.420 51.704 52.037 0.145 0.000 0.764 294 A CB 0.948 20.001 19.000 0.089 0.000 1.230 294 A HN 0.698 nan 8.150 nan 0.000 0.448 295 F N 0.549 120.593 119.950 0.157 0.000 2.613 295 F HA 0.846 5.375 4.527 0.004 0.000 0.314 295 F C -0.262 175.587 175.800 0.081 0.000 1.075 295 F CA -0.965 57.134 58.000 0.165 0.000 0.945 295 F CB 1.509 40.667 39.000 0.262 0.000 1.310 295 F HN 0.484 nan 8.300 nan 0.000 0.467 296 S N 0.340 116.223 115.700 0.305 0.000 2.537 296 S HA 0.457 4.929 4.470 0.004 0.000 0.301 296 S C 0.107 174.855 174.600 0.247 0.000 1.092 296 S CA -0.286 58.014 58.200 0.167 0.000 1.048 296 S CB 1.674 64.942 63.200 0.113 0.000 1.053 296 S HN 0.855 nan 8.310 nan 0.000 0.501 297 T N 2.997 117.649 114.554 0.165 0.000 3.086 297 T HA 0.411 4.763 4.350 0.004 0.000 0.250 297 T C 0.729 175.560 174.700 0.218 0.000 1.074 297 T CA 0.441 62.619 62.100 0.129 0.000 0.988 297 T CB -0.377 68.504 68.868 0.023 0.000 0.988 297 T HN 0.761 nan 8.240 nan 0.000 0.530 298 A N 1.148 124.073 122.820 0.175 0.000 2.267 298 A HA 0.485 4.807 4.320 0.004 0.000 0.271 298 A C 0.609 178.296 177.584 0.171 0.000 1.131 298 A CA -0.380 51.754 52.037 0.161 0.000 0.818 298 A CB -0.241 18.826 19.000 0.111 0.000 1.118 298 A HN 0.576 nan 8.150 nan 0.000 0.501 299 N N -0.741 118.041 118.700 0.136 0.000 2.727 299 N HA -0.152 4.591 4.740 0.004 0.000 0.251 299 N C -0.703 174.856 175.510 0.081 0.000 1.040 299 N CA 0.743 53.876 53.050 0.138 0.000 0.712 299 N CB -1.127 37.510 38.487 0.250 0.000 0.912 299 N HN 0.730 nan 8.380 nan 0.000 0.545 300 Q N 0.652 120.457 119.800 0.008 0.000 2.361 300 Q HA 0.195 4.537 4.340 0.004 0.000 0.276 300 Q C 0.607 176.542 176.000 -0.109 0.000 1.022 300 Q CA 0.453 56.187 55.803 -0.116 0.000 0.898 300 Q CB 0.639 29.259 28.738 -0.197 0.000 1.246 300 Q HN 0.466 nan 8.270 nan 0.000 0.410 301 R N 0.998 121.395 120.500 -0.173 0.000 2.752 301 R HA 0.649 4.992 4.340 0.004 0.000 0.271 301 R C -3.022 173.157 176.300 -0.202 0.000 1.026 301 R CA -2.094 53.915 56.100 -0.151 0.000 0.901 301 R CB 0.295 30.519 30.300 -0.128 0.000 1.243 301 R HN 0.271 nan 8.270 nan 0.000 0.463 302 P HA 0.159 nan 4.420 nan 0.000 0.274 302 P C -0.385 176.781 177.300 -0.223 0.000 1.256 302 P CA -0.524 62.455 63.100 -0.202 0.000 0.795 302 P CB 0.498 32.086 31.700 -0.186 0.000 1.038 303 M N 0.582 120.053 119.600 -0.215 0.000 2.219 303 M HA -0.024 4.459 4.480 0.004 0.000 0.307 303 M C 1.978 178.227 176.300 -0.085 0.000 1.116 303 M CA 0.477 55.694 55.300 -0.139 0.000 1.181 303 M CB 0.008 32.602 32.600 -0.009 0.000 1.410 303 M HN 0.470 nan 8.290 nan 0.000 0.454 304 Q N 1.199 121.012 119.800 0.021 0.000 2.112 304 Q HA -0.263 4.079 4.340 0.004 0.000 0.206 304 Q C 1.600 177.637 176.000 0.061 0.000 0.987 304 Q CA 2.568 58.411 55.803 0.067 0.000 0.858 304 Q CB -0.193 28.647 28.738 0.171 0.000 0.905 304 Q HN 0.898 nan 8.270 nan 0.000 0.420 305 H N -2.319 116.702 119.070 -0.082 0.000 2.547 305 H HA 0.135 4.693 4.556 0.003 0.000 0.272 305 H C 1.207 176.483 175.328 -0.086 0.000 0.989 305 H CA 0.475 56.474 56.048 -0.083 0.000 1.214 305 H CB 0.185 29.881 29.762 -0.111 0.000 1.389 305 H HN 0.108 nan 8.280 nan 0.000 0.577 306 R N 0.519 120.732 120.500 -0.480 0.000 2.472 306 R HA 0.272 4.614 4.340 0.004 0.000 0.279 306 R C -0.265 175.908 176.300 -0.211 0.000 0.953 306 R CA -0.130 55.736 56.100 -0.391 0.000 1.088 306 R CB 1.027 31.029 30.300 -0.497 0.000 1.197 306 R HN 0.104 nan 8.270 nan 0.000 0.536 307 S N 0.929 116.539 115.700 -0.150 0.000 2.610 307 S HA 0.495 4.967 4.470 0.004 0.000 0.273 307 S C 0.243 174.798 174.600 -0.074 0.000 1.274 307 S CA -0.684 57.455 58.200 -0.101 0.000 1.023 307 S CB 1.634 64.787 63.200 -0.078 0.000 0.962 307 S HN 0.336 nan 8.310 nan 0.000 0.523 308 A N 2.557 125.345 122.820 -0.052 0.000 2.327 308 A HA 0.429 4.751 4.320 0.004 0.000 0.255 308 A C -1.405 176.135 177.584 -0.073 0.000 1.099 308 A CA -1.048 50.969 52.037 -0.034 0.000 0.801 308 A CB -0.723 18.284 19.000 0.012 0.000 1.062 308 A HN 0.602 nan 8.150 nan 0.000 0.496 309 P HA 0.029 nan 4.420 nan 0.000 0.221 309 P C -0.399 176.525 177.300 -0.627 0.000 1.150 309 P CA 1.121 63.997 63.100 -0.373 0.000 0.800 309 P CB 0.034 31.459 31.700 -0.460 0.000 0.787 310 F N -1.027 118.933 119.950 0.016 0.000 2.520 310 F HA 0.442 4.971 4.527 0.004 0.000 0.322 310 F C 0.149 175.957 175.800 0.014 0.000 1.103 310 F CA -1.010 57.001 58.000 0.018 0.000 0.926 310 F CB 1.262 40.270 39.000 0.014 0.000 1.154 310 F HN -0.387 nan 8.300 nan 0.000 0.453 311 L N 2.621 123.951 121.223 0.178 0.000 2.333 311 L HA 0.542 4.885 4.340 0.004 0.000 0.269 311 L C -0.911 176.022 176.870 0.105 0.000 1.010 311 L CA -0.805 54.102 54.840 0.110 0.000 0.818 311 L CB 1.669 43.775 42.059 0.079 0.000 1.306 311 L HN 0.436 nan 8.230 nan 0.000 0.430 312 D N 1.584 122.028 120.400 0.074 0.000 2.256 312 D HA 0.526 5.168 4.640 0.004 0.000 0.240 312 D C -0.824 175.505 176.300 0.049 0.000 1.062 312 D CA -0.086 53.948 54.000 0.057 0.000 0.832 312 D CB 2.654 43.479 40.800 0.042 0.000 1.135 312 D HN 0.042 nan 8.370 nan 0.000 0.484 313 V N 1.662 121.599 119.914 0.039 0.000 3.001 313 V HA 0.293 4.415 4.120 0.004 0.000 0.314 313 V C -0.246 175.858 176.094 0.017 0.000 1.099 313 V CA -0.798 61.520 62.300 0.029 0.000 0.989 313 V CB 2.754 34.577 31.823 -0.000 0.000 1.040 313 V HN 0.446 nan 8.190 nan 0.000 0.434 314 E N 3.191 123.401 120.200 0.016 0.000 2.179 314 E HA 0.657 5.010 4.350 0.004 0.000 0.275 314 E C -1.075 175.512 176.600 -0.022 0.000 0.945 314 E CA -0.550 55.857 56.400 0.012 0.000 0.792 314 E CB 1.633 31.352 29.700 0.032 0.000 1.125 314 E HN 0.654 nan 8.360 nan 0.000 0.397 315 M N 4.494 124.079 119.600 -0.026 0.000 2.446 315 M HA 0.343 4.826 4.480 0.004 0.000 0.294 315 M C -1.556 174.714 176.300 -0.049 0.000 1.158 315 M CA -0.875 54.389 55.300 -0.060 0.000 0.899 315 M CB 1.970 34.549 32.600 -0.035 0.000 1.687 315 M HN 0.399 nan 8.290 nan 0.000 0.455 316 V N 3.815 123.659 119.914 -0.116 0.000 2.881 316 V HA 0.175 4.297 4.120 0.004 0.000 0.303 316 V C 0.314 176.430 176.094 0.036 0.000 1.070 316 V CA -0.201 62.060 62.300 -0.066 0.000 1.074 316 V CB 1.500 33.101 31.823 -0.370 0.000 1.012 316 V HN 0.962 nan 8.190 nan 0.000 0.482 317 N N 2.591 121.376 118.700 0.141 0.000 2.444 317 N HA 0.038 4.781 4.740 0.004 0.000 0.255 317 N C 0.144 175.727 175.510 0.123 0.000 1.255 317 N CA -0.578 52.536 53.050 0.107 0.000 0.933 317 N CB 0.736 39.274 38.487 0.086 0.000 1.143 317 N HN 0.652 nan 8.380 nan 0.000 0.453 318 D N 1.206 121.650 120.400 0.074 0.000 2.333 318 D HA -0.107 4.535 4.640 0.004 0.000 0.208 318 D C 1.182 177.506 176.300 0.041 0.000 0.984 318 D CA 0.576 54.609 54.000 0.055 0.000 0.873 318 D CB 0.175 41.011 40.800 0.060 0.000 0.935 318 D HN 0.694 nan 8.370 nan 0.000 0.521 319 E N 1.294 121.512 120.200 0.030 0.000 2.049 319 E HA -0.155 4.197 4.350 0.004 0.000 0.198 319 E C -0.904 175.675 176.600 -0.036 0.000 1.007 319 E CA 1.260 57.658 56.400 -0.004 0.000 0.809 319 E CB -0.368 29.320 29.700 -0.020 0.000 0.749 319 E HN 0.158 nan 8.360 nan 0.000 0.450 320 P HA 0.043 nan 4.420 nan 0.000 0.255 320 P C 0.430 177.728 177.300 -0.002 0.000 1.301 320 P CA 0.397 63.402 63.100 -0.157 0.000 0.817 320 P CB 0.084 31.437 31.700 -0.578 0.000 1.259 321 L N -0.634 120.582 121.223 -0.012 0.000 2.552 321 L HA -0.063 4.280 4.340 0.004 0.000 0.227 321 L C 1.460 178.098 176.870 -0.387 0.000 1.146 321 L CA 0.691 55.400 54.840 -0.218 0.000 0.858 321 L CB -0.493 41.229 42.059 -0.561 0.000 0.969 321 L HN -0.060 nan 8.230 nan 0.000 0.451 322 D N -0.330 119.978 120.400 -0.152 0.000 2.149 322 D HA -0.183 4.459 4.640 0.004 0.000 0.198 322 D C 2.273 178.581 176.300 0.014 0.000 0.990 322 D CA 1.932 55.926 54.000 -0.010 0.000 0.839 322 D CB -0.159 40.670 40.800 0.049 0.000 0.948 322 D HN 0.364 nan 8.370 nan 0.000 0.460 323 T N -1.820 112.733 114.554 -0.000 0.000 2.915 323 T HA -0.065 4.287 4.350 0.004 0.000 0.269 323 T C 2.110 176.832 174.700 0.036 0.000 1.071 323 T CA 0.714 62.833 62.100 0.032 0.000 1.132 323 T CB -0.527 68.365 68.868 0.041 0.000 0.878 323 T HN -0.018 nan 8.240 nan 0.000 0.479 324 V N 0.263 120.169 119.914 -0.013 0.000 2.379 324 V HA -0.071 4.051 4.120 0.004 0.000 0.245 324 V C 2.488 178.610 176.094 0.047 0.000 1.044 324 V CA 1.254 63.533 62.300 -0.034 0.000 1.036 324 V CB -0.892 30.835 31.823 -0.160 0.000 0.664 324 V HN 0.383 nan 8.190 nan 0.000 0.453 325 Y N -0.414 119.888 120.300 0.002 0.000 2.181 325 Y HA -0.183 4.369 4.550 0.004 0.000 0.288 325 Y C 2.228 178.121 175.900 -0.013 0.000 1.146 325 Y CA 1.001 59.093 58.100 -0.014 0.000 1.164 325 Y CB -0.989 37.466 38.460 -0.008 0.000 0.982 325 Y HN 0.189 nan 8.280 nan 0.000 0.515 326 L N 0.197 121.518 121.223 0.163 0.000 2.046 326 L HA -0.118 4.224 4.340 0.004 0.000 0.208 326 L C 2.390 179.299 176.870 0.064 0.000 1.077 326 L CA 2.008 56.903 54.840 0.091 0.000 0.747 326 L CB -1.158 40.944 42.059 0.071 0.000 0.896 326 L HN 0.116 nan 8.230 nan 0.000 0.432 327 A N -0.587 122.269 122.820 0.059 0.000 1.940 327 A HA -0.143 4.179 4.320 0.004 0.000 0.219 327 A C 2.442 180.039 177.584 0.022 0.000 1.176 327 A CA 1.906 53.966 52.037 0.038 0.000 0.631 327 A CB -1.127 17.894 19.000 0.035 0.000 0.814 327 A HN 0.581 nan 8.150 nan 0.000 0.446 328 A N -0.650 122.189 122.820 0.032 0.000 1.873 328 A HA 0.018 4.340 4.320 0.004 0.000 0.215 328 A C 2.232 179.800 177.584 -0.026 0.000 1.186 328 A CA 1.728 53.766 52.037 0.001 0.000 0.616 328 A CB -0.945 18.068 19.000 0.021 0.000 0.823 328 A HN 0.388 nan 8.150 nan 0.000 0.442 329 V N 0.719 120.626 119.914 -0.013 0.000 2.343 329 V HA -0.243 3.879 4.120 0.004 0.000 0.247 329 V C 2.140 178.228 176.094 -0.010 0.000 1.051 329 V CA 2.355 64.634 62.300 -0.034 0.000 1.036 329 V CB -0.799 31.012 31.823 -0.020 0.000 0.654 329 V HN 0.495 nan 8.190 nan 0.000 0.451 330 D N 0.165 120.576 120.400 0.018 0.000 2.144 330 D HA -0.115 4.527 4.640 0.004 0.000 0.200 330 D C 2.432 178.738 176.300 0.011 0.000 0.978 330 D CA 1.698 55.728 54.000 0.050 0.000 0.833 330 D CB -0.268 40.574 40.800 0.070 0.000 0.961 330 D HN 0.590 nan 8.370 nan 0.000 0.470 331 S N -0.107 115.578 115.700 -0.024 0.000 2.402 331 S HA -0.084 4.389 4.470 0.004 0.000 0.229 331 S C 2.153 176.709 174.600 -0.074 0.000 1.021 331 S CA 0.666 58.829 58.200 -0.063 0.000 0.974 331 S CB -0.442 62.727 63.200 -0.052 0.000 0.800 331 S HN 0.064 nan 8.310 nan 0.000 0.484 332 V N 2.103 121.977 119.914 -0.067 0.000 2.379 332 V HA -0.116 4.006 4.120 0.004 0.000 0.245 332 V C 2.812 178.884 176.094 -0.036 0.000 1.044 332 V CA 2.096 64.349 62.300 -0.079 0.000 1.036 332 V CB -0.820 30.920 31.823 -0.139 0.000 0.664 332 V HN 0.637 nan 8.190 nan 0.000 0.453 333 E N 0.256 120.456 120.200 0.001 0.000 2.058 333 E HA -0.318 4.035 4.350 0.004 0.000 0.194 333 E C 2.260 178.892 176.600 0.053 0.000 0.997 333 E CA 1.909 58.356 56.400 0.078 0.000 0.801 333 E CB -0.131 29.659 29.700 0.151 0.000 0.746 333 E HN 0.710 nan 8.360 nan 0.000 0.450 334 E N -0.301 119.832 120.200 -0.112 0.000 2.110 334 E HA -0.198 4.154 4.350 0.004 0.000 0.193 334 E C 1.906 178.335 176.600 -0.284 0.000 0.988 334 E CA 0.952 57.029 56.400 -0.538 0.000 0.804 334 E CB -0.140 29.033 29.700 -0.879 0.000 0.745 334 E HN 0.353 nan 8.360 nan 0.000 0.458 335 A N 0.382 123.116 122.820 -0.143 0.000 1.902 335 A HA -0.144 4.179 4.320 0.004 0.000 0.217 335 A C 2.386 179.966 177.584 -0.006 0.000 1.181 335 A CA 1.441 53.437 52.037 -0.068 0.000 0.623 335 A CB -0.642 18.335 19.000 -0.038 0.000 0.818 335 A HN 0.227 nan 8.150 nan 0.000 0.443 336 V N -0.414 119.523 119.914 0.039 0.000 2.307 336 V HA -0.213 3.909 4.120 0.004 0.000 0.245 336 V C 2.573 178.734 176.094 0.113 0.000 1.045 336 V CA 1.985 64.362 62.300 0.128 0.000 1.024 336 V CB -0.644 31.309 31.823 0.216 0.000 0.651 336 V HN 0.378 nan 8.190 nan 0.000 0.449 337 V N 0.318 120.284 119.914 0.087 0.000 2.427 337 V HA -0.261 3.861 4.120 0.004 0.000 0.248 337 V C 2.068 178.180 176.094 0.030 0.000 1.051 337 V CA 2.255 64.609 62.300 0.089 0.000 1.048 337 V CB -1.044 30.905 31.823 0.211 0.000 0.666 337 V HN 0.617 nan 8.190 nan 0.000 0.456 338 N N 0.243 118.927 118.700 -0.026 0.000 2.149 338 N HA -0.175 4.567 4.740 0.004 0.000 0.188 338 N C 1.952 177.462 175.510 -0.001 0.000 1.019 338 N CA 1.180 54.207 53.050 -0.039 0.000 0.857 338 N CB -0.240 38.203 38.487 -0.073 0.000 0.997 338 N HN 0.500 nan 8.380 nan 0.000 0.426 339 A N 1.161 123.996 122.820 0.026 0.000 1.902 339 A HA -0.147 4.175 4.320 0.004 0.000 0.217 339 A C 2.132 179.746 177.584 0.051 0.000 1.181 339 A CA 1.271 53.334 52.037 0.043 0.000 0.623 339 A CB -0.422 18.624 19.000 0.076 0.000 0.818 339 A HN 0.216 nan 8.150 nan 0.000 0.443 340 M N -0.707 118.930 119.600 0.061 0.000 2.175 340 M HA -0.073 4.409 4.480 0.004 0.000 0.264 340 M C 1.813 178.127 176.300 0.023 0.000 1.063 340 M CA 1.038 56.367 55.300 0.048 0.000 1.119 340 M CB -0.384 32.238 32.600 0.036 0.000 1.377 340 M HN 0.270 nan 8.290 nan 0.000 0.415 341 I N 0.565 121.137 120.570 0.004 0.000 2.315 341 I HA -0.147 4.025 4.170 0.004 0.000 0.248 341 I C 2.576 178.746 176.117 0.087 0.000 1.117 341 I CA 1.338 62.638 61.300 -0.001 0.000 1.404 341 I CB -1.528 36.398 38.000 -0.123 0.000 1.071 341 I HN 0.193 nan 8.210 nan 0.000 0.419 342 A N 0.570 123.416 122.820 0.043 0.000 2.123 342 A HA 0.330 4.652 4.320 0.004 0.000 0.214 342 A C 1.581 179.185 177.584 0.033 0.000 1.152 342 A CA 0.557 52.618 52.037 0.039 0.000 0.728 342 A CB -0.497 18.507 19.000 0.007 0.000 0.814 342 A HN 0.313 nan 8.150 nan 0.000 0.464 343 A N 0.059 122.901 122.820 0.037 0.000 2.406 343 A HA 0.495 4.817 4.320 0.004 0.000 0.243 343 A C 0.022 177.620 177.584 0.022 0.000 1.082 343 A CA -0.015 52.037 52.037 0.025 0.000 0.786 343 A CB 0.131 19.156 19.000 0.042 0.000 1.029 343 A HN 0.525 nan 8.150 nan 0.000 0.495 344 E N 0.024 120.229 120.200 0.009 0.000 2.343 344 E HA 0.343 4.695 4.350 0.004 0.000 0.270 344 E C -1.433 175.173 176.600 0.010 0.000 0.895 344 E CA -0.997 55.403 56.400 0.000 0.000 0.767 344 E CB 1.319 31.013 29.700 -0.010 0.000 1.248 344 E HN 0.652 nan 8.360 nan 0.000 0.440 345 D N 1.516 121.921 120.400 0.009 0.000 2.515 345 D HA 0.070 4.712 4.640 0.004 0.000 0.232 345 D C -0.467 175.840 176.300 0.012 0.000 1.157 345 D CA 1.027 55.038 54.000 0.019 0.000 0.871 345 D CB 0.387 41.195 40.800 0.013 0.000 1.200 345 D HN 0.248 nan 8.370 nan 0.000 0.466 346 M N 0.788 120.397 119.600 0.016 0.000 2.421 346 M HA 0.489 4.972 4.480 0.004 0.000 0.287 346 M C -0.138 176.167 176.300 0.010 0.000 1.183 346 M CA 0.030 55.335 55.300 0.009 0.000 0.916 346 M CB 1.854 34.456 32.600 0.003 0.000 1.701 346 M HN 0.608 nan 8.290 nan 0.000 0.470 347 G N 1.886 110.693 108.800 0.012 0.000 2.472 347 G HA2 0.249 4.211 3.960 0.004 0.000 0.205 347 G HA3 0.249 4.211 3.960 0.004 0.000 0.205 347 G C 0.377 175.285 174.900 0.013 0.000 1.270 347 G CA 0.158 45.267 45.100 0.015 0.000 0.974 347 G HN 2.127 nan 8.290 nan 0.000 0.542 348 G N -1.942 106.862 108.800 0.006 0.000 2.148 348 G HA2 0.175 4.138 3.960 0.004 0.000 0.254 348 G HA3 0.175 4.138 3.960 0.004 0.000 0.254 348 G C 1.174 176.064 174.900 -0.017 0.000 0.981 348 G CA 1.893 46.989 45.100 -0.007 0.000 0.670 348 G HN 2.785 nan 8.290 nan 0.000 0.528 349 T N -2.401 112.151 114.554 -0.004 0.000 2.816 349 T HA 0.613 4.965 4.350 0.004 0.000 0.282 349 T C -0.661 173.962 174.700 -0.127 0.000 0.993 349 T CA -0.743 61.339 62.100 -0.028 0.000 0.994 349 T CB 1.797 70.711 68.868 0.076 0.000 1.025 349 T HN -0.094 nan 8.240 nan 0.000 0.529 350 P HA 0.042 nan 4.420 nan 0.000 0.221 350 P C 0.575 177.546 177.300 -0.549 0.000 1.145 350 P CA 0.885 63.688 63.100 -0.496 0.000 0.795 350 P CB -0.166 31.075 31.700 -0.764 0.000 0.775 351 F N -1.510 118.434 119.950 -0.009 0.000 2.765 351 F HA 0.149 4.678 4.527 0.004 0.000 0.302 351 F C 1.040 176.832 175.800 -0.014 0.000 1.111 351 F CA -0.132 57.861 58.000 -0.011 0.000 1.359 351 F CB -0.424 38.569 39.000 -0.011 0.000 1.097 351 F HN -0.153 nan 8.300 nan 0.000 0.577 352 D N -0.033 120.418 120.400 0.086 0.000 2.332 352 D HA 0.275 4.917 4.640 0.004 0.000 0.252 352 D C 1.075 177.386 176.300 0.019 0.000 1.050 352 D CA -0.419 53.613 54.000 0.053 0.000 0.970 352 D CB 1.459 42.279 40.800 0.033 0.000 1.141 352 D HN 0.027 nan 8.370 nan 0.000 0.485 353 R N -0.254 120.253 120.500 0.012 0.000 2.237 353 R HA 0.112 4.455 4.340 0.004 0.000 0.195 353 R C -0.239 176.056 176.300 -0.008 0.000 0.956 353 R CA 0.345 56.445 56.100 0.001 0.000 1.029 353 R CB 0.256 30.558 30.300 0.003 0.000 0.972 353 R HN 0.261 nan 8.270 nan 0.000 0.493 354 L N -1.391 119.827 121.223 -0.007 0.000 2.341 354 L HA 0.533 4.875 4.340 0.004 0.000 0.254 354 L C -0.950 175.915 176.870 -0.008 0.000 1.040 354 L CA -1.392 53.440 54.840 -0.012 0.000 0.837 354 L CB 0.417 42.466 42.059 -0.017 0.000 1.425 354 L HN -0.293 nan 8.230 nan 0.000 0.414 355 L N 0.899 122.117 121.223 -0.008 0.000 2.342 355 L HA 0.765 5.108 4.340 0.004 0.000 0.276 355 L C -1.229 175.643 176.870 0.004 0.000 0.997 355 L CA -0.352 54.487 54.840 -0.001 0.000 0.838 355 L CB 1.634 43.693 42.059 -0.001 0.000 1.224 355 L HN 0.386 nan 8.230 nan 0.000 0.416 356 V N 5.508 125.430 119.914 0.012 0.000 2.383 356 V HA 0.440 4.562 4.120 0.004 0.000 0.275 356 V C 0.107 176.237 176.094 0.060 0.000 1.036 356 V CA -0.480 61.837 62.300 0.027 0.000 0.889 356 V CB 1.174 33.011 31.823 0.023 0.000 0.985 356 V HN 0.782 nan 8.190 nan 0.000 0.459 357 Q N 2.743 122.602 119.800 0.099 0.000 2.227 357 Q HA 0.721 5.064 4.340 0.004 0.000 0.245 357 Q C 0.090 176.218 176.000 0.213 0.000 0.926 357 Q CA -0.548 55.336 55.803 0.134 0.000 0.895 357 Q CB 1.781 30.610 28.738 0.152 0.000 1.230 357 Q HN 0.865 nan 8.270 nan 0.000 0.450 358 A N 1.952 124.843 122.820 0.119 0.000 2.351 358 A HA 0.299 4.621 4.320 0.004 0.000 0.257 358 A C -0.149 177.418 177.584 -0.028 0.000 1.087 358 A CA -0.524 51.554 52.037 0.068 0.000 0.798 358 A CB 0.209 19.218 19.000 0.014 0.000 1.033 358 A HN 0.838 nan 8.150 nan 0.000 0.488 359 I N 0.777 121.161 120.570 -0.310 0.000 2.710 359 I HA -0.007 4.165 4.170 0.004 0.000 0.286 359 I C 0.120 176.110 176.117 -0.211 0.000 1.181 359 I CA 0.087 60.968 61.300 -0.698 0.000 1.430 359 I CB 0.407 37.788 38.000 -1.032 0.000 1.367 359 I HN 0.783 nan 8.210 nan 0.000 0.577 360 D N 5.585 125.898 120.400 -0.145 0.000 2.348 360 D HA 0.083 4.725 4.640 0.004 0.000 0.253 360 D C 1.038 177.367 176.300 0.049 0.000 1.161 360 D CA 0.180 54.151 54.000 -0.049 0.000 0.876 360 D CB 0.684 41.474 40.800 -0.016 0.000 1.160 360 D HN 0.549 nan 8.370 nan 0.000 0.459 361 H N 2.176 121.205 119.070 -0.068 0.000 2.353 361 H HA -0.091 4.468 4.556 0.004 0.000 0.300 361 H C 1.282 176.586 175.328 -0.040 0.000 1.090 361 H CA 0.447 56.461 56.048 -0.056 0.000 1.327 361 H CB 0.498 30.238 29.762 -0.037 0.000 1.383 361 H HN 0.494 nan 8.280 nan 0.000 0.508 362 E N 0.885 121.145 120.200 0.100 0.000 2.106 362 E HA -0.100 4.252 4.350 0.004 0.000 0.192 362 E C 2.270 178.888 176.600 0.031 0.000 0.984 362 E CA 0.504 56.934 56.400 0.050 0.000 0.806 362 E CB -0.053 29.665 29.700 0.030 0.000 0.750 362 E HN 0.405 nan 8.360 nan 0.000 0.458 363 R N 0.428 120.945 120.500 0.028 0.000 2.081 363 R HA -0.049 4.293 4.340 0.004 0.000 0.235 363 R C 2.494 178.804 176.300 0.016 0.000 1.131 363 R CA 0.572 56.688 56.100 0.027 0.000 0.960 363 R CB -0.519 29.805 30.300 0.040 0.000 0.856 363 R HN 0.206 nan 8.270 nan 0.000 0.436 364 L N 0.976 122.200 121.223 0.003 0.000 2.012 364 L HA -0.237 4.105 4.340 0.004 0.000 0.210 364 L C 2.312 179.169 176.870 -0.022 0.000 1.073 364 L CA 1.732 56.559 54.840 -0.022 0.000 0.748 364 L CB -0.290 41.739 42.059 -0.051 0.000 0.891 364 L HN 0.203 nan 8.230 nan 0.000 0.431 365 R N -0.429 120.065 120.500 -0.011 0.000 2.091 365 R HA -0.174 4.168 4.340 0.004 0.000 0.238 365 R C 2.319 178.613 176.300 -0.010 0.000 1.136 365 R CA 1.505 57.597 56.100 -0.013 0.000 0.959 365 R CB -0.455 29.843 30.300 -0.002 0.000 0.856 365 R HN 0.500 nan 8.270 nan 0.000 0.437 366 A N 0.466 123.284 122.820 -0.004 0.000 1.902 366 A HA -0.115 4.207 4.320 0.004 0.000 0.217 366 A C 2.331 179.906 177.584 -0.014 0.000 1.181 366 A CA 1.428 53.461 52.037 -0.006 0.000 0.623 366 A CB -0.455 18.546 19.000 0.001 0.000 0.818 366 A HN 0.128 nan 8.150 nan 0.000 0.443 367 V N 0.191 120.094 119.914 -0.019 0.000 2.358 367 V HA -0.226 3.896 4.120 0.004 0.000 0.246 367 V C 2.544 178.664 176.094 0.043 0.000 1.047 367 V CA 1.773 64.050 62.300 -0.038 0.000 1.035 367 V CB -0.777 30.997 31.823 -0.082 0.000 0.658 367 V HN 0.560 nan 8.190 nan 0.000 0.452 368 L N -0.335 120.892 121.223 0.007 0.000 2.079 368 L HA -0.208 4.135 4.340 0.004 0.000 0.210 368 L C 2.746 179.644 176.870 0.046 0.000 1.081 368 L CA 1.831 56.680 54.840 0.014 0.000 0.752 368 L CB -0.643 41.392 42.059 -0.040 0.000 0.896 368 L HN 0.276 nan 8.230 nan 0.000 0.433 369 R N 0.181 120.691 120.500 0.015 0.000 2.096 369 R HA -0.182 4.160 4.340 0.004 0.000 0.235 369 R C 2.282 178.579 176.300 -0.006 0.000 1.127 369 R CA 1.397 57.498 56.100 0.001 0.000 0.968 369 R CB -0.068 30.225 30.300 -0.011 0.000 0.861 369 R HN 0.469 nan 8.270 nan 0.000 0.440 370 Q N -1.067 118.721 119.800 -0.020 0.000 2.226 370 Q HA -0.184 4.158 4.340 0.004 0.000 0.204 370 Q C 0.607 176.484 176.000 -0.204 0.000 0.975 370 Q CA 1.322 57.050 55.803 -0.125 0.000 0.866 370 Q CB 0.111 28.721 28.738 -0.213 0.000 0.915 370 Q HN 0.485 nan 8.270 nan 0.000 0.440 371 Y N -0.827 119.431 120.300 -0.070 0.000 2.571 371 Y HA 0.269 4.821 4.550 0.004 0.000 0.275 371 Y C 1.135 177.008 175.900 -0.045 0.000 1.179 371 Y CA 0.132 58.202 58.100 -0.051 0.000 1.242 371 Y CB 0.834 39.260 38.460 -0.057 0.000 1.126 371 Y HN 0.129 nan 8.280 nan 0.000 0.524 372 G N 1.073 109.913 108.800 0.067 0.000 2.221 372 G HA2 -0.364 3.598 3.960 0.004 0.000 0.265 372 G HA3 -0.364 3.598 3.960 0.004 0.000 0.265 372 G C 0.851 175.762 174.900 0.019 0.000 1.041 372 G CA 0.323 45.440 45.100 0.028 0.000 0.807 372 G HN 0.383 nan 8.290 nan 0.000 0.502 373 R N -1.437 119.073 120.500 0.016 0.000 2.596 373 R HA 0.438 4.780 4.340 0.004 0.000 0.369 373 R C 0.320 176.591 176.300 -0.048 0.000 1.042 373 R CA -0.370 55.714 56.100 -0.027 0.000 1.120 373 R CB 0.308 30.583 30.300 -0.042 0.000 1.353 373 R HN 0.326 nan 8.270 nan 0.000 0.564 374 L N 1.061 122.266 121.223 -0.029 0.000 2.255 374 L HA 0.610 4.952 4.340 0.004 0.000 0.289 374 L C -0.063 176.788 176.870 -0.031 0.000 1.046 374 L CA -0.414 54.405 54.840 -0.035 0.000 0.816 374 L CB 0.841 42.886 42.059 -0.023 0.000 1.197 374 L HN 0.163 nan 8.230 nan 0.000 0.427 375 A N 0.000 122.797 122.820 -0.038 0.000 2.254 375 A HA 0.000 4.322 4.320 0.004 0.000 0.244 375 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 375 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486