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 1cu1_1_A DATA FIRST_RESID 3 DATA SEQUENCE ITAYSQQTRG LLGCIITSLT GRDKNQVEGE VQVVSTATQS FLATCVNGVC DATA SEQUENCE WTVYHGAGSK TLAGPKGPIT QMYTNVDQDL VGWQAPPGAR SLTPCTCGSS DATA SEQUENCE DLYLVTRHAD VIPVRRRGDS RGSLLSPRPV SYLKGSSGGP LLCPSGHAVG DATA SEQUENCE IFRAAVCTRG VAKAVDFVPV ESMETTMRSP VFTDNSSPPA VPQSFQVAHL DATA SEQUENCE HAPTGSGKST KVPAAYAAQG YKVLVLNPSV AATLGFGAYM SKAHGIDPNI DATA SEQUENCE RTGVRTITTG APVTYSTYGK FLADGGCSGG AYDIIICDEC HSTDSTTILG DATA SEQUENCE IGTVLDQAET AGARLVVLAT ATPPGSVTVP HPNIEEVALS NTGEIPFYGK DATA SEQUENCE AIPIEAIRGG RHLIFCHSKK KCDELAAKLS GLGINAVAYY RGLDVSVIPT DATA SEQUENCE IGDVVVVATD ALMTGYTGDF DSVIDCNTCV TQTVDFSLDP TFTIETTTVP DATA SEQUENCE QDAVSRSQRR GRTGRGRRGI YRFVTPGERP SGMFDSSVLC ECYDAGCAWY DATA SEQUENCE ELTPAETSVR LRAYLNTPGL PVCQDHLEFW ESVFTGLTHI DAHFLSQTKQ DATA SEQUENCE AGDNFPYLVA YQATVCARAQ APPPSWDQMW KCLIRLKPTL HGPTPLLYRL DATA SEQUENCE GAVQNEVTLT HPITKYIMAC MSADLEVVTX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXGSVVIVGR IILSGSGS 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.028 176.117 -0.148 0.000 1.063 3 I CA 0.000 61.168 61.300 -0.221 0.000 1.566 3 I CB 0.000 37.803 38.000 -0.328 0.000 1.214 4 T N 2.379 116.887 114.554 -0.078 0.000 2.865 4 T HA 1.012 5.362 4.350 0.000 0.000 0.294 4 T C -0.825 173.872 174.700 -0.005 0.000 1.119 4 T CA -0.579 61.507 62.100 -0.024 0.000 1.007 4 T CB 2.538 71.412 68.868 0.009 0.000 1.225 4 T HN 1.025 nan 8.240 nan 0.000 0.515 5 A N 0.751 123.591 122.820 0.034 0.000 2.609 5 A HA 0.864 5.184 4.320 0.000 0.000 0.291 5 A C -1.830 175.826 177.584 0.119 0.000 1.096 5 A CA -1.103 50.938 52.037 0.007 0.000 0.684 5 A CB 1.193 20.167 19.000 -0.043 0.000 1.282 5 A HN 1.776 nan 8.150 nan 0.000 0.412 6 Y N -0.803 119.496 120.300 -0.000 0.000 2.571 6 Y HA 0.788 5.338 4.550 0.000 0.000 0.341 6 Y C -0.131 175.771 175.900 0.003 0.000 1.076 6 Y CA -0.586 57.518 58.100 0.006 0.000 1.029 6 Y CB 0.984 39.445 38.460 0.003 0.000 1.308 6 Y HN 1.058 nan 8.280 nan 0.000 0.461 7 S N 1.610 117.428 115.700 0.196 0.000 2.654 7 S HA 0.668 5.138 4.470 0.000 0.000 0.283 7 S C -0.981 173.717 174.600 0.163 0.000 1.180 7 S CA -0.857 57.397 58.200 0.091 0.000 1.021 7 S CB 1.751 64.987 63.200 0.060 0.000 1.018 7 S HN 0.756 nan 8.310 nan 0.000 0.532 8 Q N 0.910 120.756 119.800 0.077 0.000 2.292 8 Q HA 0.312 4.652 4.340 0.000 0.000 0.270 8 Q C -1.318 174.701 176.000 0.031 0.000 1.024 8 Q CA -0.387 55.466 55.803 0.083 0.000 0.768 8 Q CB 2.243 31.031 28.738 0.084 0.000 1.250 8 Q HN 0.679 nan 8.270 nan 0.000 0.447 9 Q N 1.825 121.643 119.800 0.030 0.000 2.349 9 Q HA 0.153 4.493 4.340 0.000 0.000 0.254 9 Q C 0.453 176.453 176.000 0.002 0.000 0.980 9 Q CA 0.172 55.980 55.803 0.009 0.000 0.924 9 Q CB 1.086 29.833 28.738 0.014 0.000 1.209 9 Q HN 0.841 nan 8.270 nan 0.000 0.445 10 T N 0.629 115.175 114.554 -0.013 0.000 3.022 10 T HA 0.298 4.648 4.350 0.000 0.000 0.250 10 T C 0.612 175.298 174.700 -0.023 0.000 1.060 10 T CA -0.076 62.014 62.100 -0.017 0.000 1.013 10 T CB 0.588 69.441 68.868 -0.026 0.000 0.982 10 T HN 0.371 nan 8.240 nan 0.000 0.508 11 R N -0.513 119.971 120.500 -0.027 0.000 2.698 11 R HA 0.647 4.987 4.340 0.000 0.000 0.275 11 R C -0.384 175.903 176.300 -0.023 0.000 1.001 11 R CA -0.570 55.512 56.100 -0.029 0.000 0.896 11 R CB 2.039 32.312 30.300 -0.043 0.000 1.218 11 R HN 0.303 nan 8.270 nan 0.000 0.462 12 G N 1.241 110.030 108.800 -0.018 0.000 2.552 12 G HA2 0.275 4.235 3.960 0.000 0.000 0.324 12 G HA3 0.275 4.235 3.960 0.000 0.000 0.324 12 G C 0.228 175.120 174.900 -0.014 0.000 1.217 12 G CA -0.675 44.417 45.100 -0.012 0.000 0.989 12 G HN 0.536 nan 8.290 nan 0.000 0.490 13 L N 0.319 121.538 121.223 -0.008 0.000 1.971 13 L HA -0.107 4.233 4.340 0.000 0.000 0.215 13 L C 2.605 179.470 176.870 -0.009 0.000 1.072 13 L CA 2.282 57.117 54.840 -0.007 0.000 0.758 13 L CB -0.578 41.481 42.059 0.000 0.000 0.889 13 L HN 0.530 nan 8.230 nan 0.000 0.433 14 L N -0.414 120.805 121.223 -0.006 0.000 2.083 14 L HA -0.006 4.334 4.340 0.000 0.000 0.209 14 L C 2.234 179.097 176.870 -0.012 0.000 1.083 14 L CA 2.067 56.903 54.840 -0.006 0.000 0.752 14 L CB -1.311 40.745 42.059 -0.004 0.000 0.899 14 L HN 0.293 nan 8.230 nan 0.000 0.433 15 G N -1.295 107.496 108.800 -0.015 0.000 2.422 15 G HA2 -0.306 3.654 3.960 0.000 0.000 0.218 15 G HA3 -0.306 3.654 3.960 0.000 0.000 0.218 15 G C 1.750 176.632 174.900 -0.029 0.000 1.140 15 G CA 0.800 45.888 45.100 -0.021 0.000 0.775 15 G HN 0.598 nan 8.290 nan 0.000 0.545 16 C N 0.033 119.315 119.300 -0.030 0.000 2.466 16 C HA 0.192 4.652 4.460 0.000 0.000 0.278 16 C C 2.780 177.750 174.990 -0.033 0.000 1.288 16 C CA 0.575 59.569 59.018 -0.040 0.000 1.722 16 C CB -0.928 26.786 27.740 -0.043 0.000 2.017 16 C HN 0.388 nan 8.230 nan 0.000 0.488 17 I N 0.858 121.416 120.570 -0.020 0.000 2.493 17 I HA -0.102 4.068 4.170 0.000 0.000 0.254 17 I C 2.287 178.396 176.117 -0.013 0.000 1.160 17 I CA 1.439 62.731 61.300 -0.012 0.000 1.445 17 I CB -0.234 37.764 38.000 -0.003 0.000 1.086 17 I HN 0.349 nan 8.210 nan 0.000 0.433 18 I N -0.282 120.278 120.570 -0.016 0.000 2.233 18 I HA -0.231 3.939 4.170 0.000 0.000 0.243 18 I C 2.358 178.461 176.117 -0.023 0.000 1.093 18 I CA 1.326 62.617 61.300 -0.015 0.000 1.380 18 I CB -0.407 37.584 38.000 -0.015 0.000 1.067 18 I HN 0.128 nan 8.210 nan 0.000 0.413 19 T N -0.524 114.010 114.554 -0.033 0.000 2.881 19 T HA -0.173 4.177 4.350 0.000 0.000 0.270 19 T C 2.044 176.715 174.700 -0.049 0.000 1.068 19 T CA 1.652 63.724 62.100 -0.046 0.000 1.131 19 T CB -0.178 68.655 68.868 -0.059 0.000 0.871 19 T HN 0.302 nan 8.240 nan 0.000 0.479 20 S N 0.429 116.105 115.700 -0.042 0.000 2.387 20 S HA 0.007 4.477 4.470 0.000 0.000 0.226 20 S C 1.851 176.438 174.600 -0.021 0.000 1.026 20 S CA 0.421 58.599 58.200 -0.037 0.000 0.972 20 S CB -0.230 62.954 63.200 -0.026 0.000 0.814 20 S HN 0.179 nan 8.310 nan 0.000 0.477 21 L N 1.864 123.079 121.223 -0.013 0.000 2.179 21 L HA 0.105 4.445 4.340 0.000 0.000 0.208 21 L C 2.674 179.541 176.870 -0.005 0.000 1.096 21 L CA 2.122 56.961 54.840 -0.002 0.000 0.779 21 L CB -1.465 40.597 42.059 0.004 0.000 0.922 21 L HN 0.634 nan 8.230 nan 0.000 0.443 22 T N -5.137 109.408 114.554 -0.014 0.000 3.037 22 T HA 0.197 4.547 4.350 0.000 0.000 0.251 22 T C 1.562 176.247 174.700 -0.025 0.000 1.079 22 T CA 0.547 62.638 62.100 -0.015 0.000 1.067 22 T CB 0.098 68.956 68.868 -0.018 0.000 0.948 22 T HN 0.345 nan 8.240 nan 0.000 0.496 23 G N 1.824 110.602 108.800 -0.036 0.000 2.186 23 G HA2 -0.343 3.618 3.960 0.000 0.000 0.266 23 G HA3 -0.343 3.618 3.960 0.000 0.000 0.266 23 G C 0.170 175.033 174.900 -0.061 0.000 0.982 23 G CA 0.457 45.525 45.100 -0.053 0.000 0.670 23 G HN 0.818 nan 8.290 nan 0.000 0.533 24 R N 0.542 121.012 120.500 -0.051 0.000 2.246 24 R HA 0.479 4.819 4.340 0.000 0.000 0.332 24 R C -1.502 174.764 176.300 -0.056 0.000 0.974 24 R CA -0.575 55.495 56.100 -0.050 0.000 0.837 24 R CB 0.650 30.929 30.300 -0.035 0.000 1.145 24 R HN 0.107 nan 8.270 nan 0.000 0.467 25 D N 3.684 124.042 120.400 -0.069 0.000 2.454 25 D HA 0.160 4.800 4.640 0.000 0.000 0.247 25 D C -0.035 176.227 176.300 -0.063 0.000 1.129 25 D CA -0.531 53.427 54.000 -0.071 0.000 0.877 25 D CB 1.750 42.493 40.800 -0.095 0.000 1.082 25 D HN 0.319 nan 8.370 nan 0.000 0.537 26 K N 1.850 122.220 120.400 -0.049 0.000 2.365 26 K HA 0.182 4.502 4.320 0.000 0.000 0.197 26 K C 0.457 177.033 176.600 -0.040 0.000 1.042 26 K CA 0.028 56.291 56.287 -0.041 0.000 0.987 26 K CB -0.068 32.413 32.500 -0.032 0.000 0.779 26 K HN 0.479 nan 8.250 nan 0.000 0.484 27 N N 1.484 120.158 118.700 -0.043 0.000 2.265 27 N HA -0.110 4.631 4.740 0.000 0.000 0.231 27 N C -0.431 175.054 175.510 -0.041 0.000 1.266 27 N CA 0.269 53.295 53.050 -0.040 0.000 0.862 27 N CB 0.336 38.797 38.487 -0.044 0.000 1.100 27 N HN 0.187 nan 8.380 nan 0.000 0.439 28 Q N -0.285 119.495 119.800 -0.034 0.000 2.241 28 Q HA 0.462 4.802 4.340 0.000 0.000 0.254 28 Q C -0.388 175.591 176.000 -0.036 0.000 0.917 28 Q CA -0.957 54.827 55.803 -0.032 0.000 0.919 28 Q CB 1.456 30.181 28.738 -0.023 0.000 1.237 28 Q HN 0.372 nan 8.270 nan 0.000 0.434 29 V N 0.362 120.252 119.914 -0.040 0.000 2.785 29 V HA 0.571 4.691 4.120 0.000 0.000 0.300 29 V C -0.661 175.415 176.094 -0.030 0.000 1.062 29 V CA -0.178 62.096 62.300 -0.042 0.000 1.029 29 V CB 1.507 33.298 31.823 -0.053 0.000 1.024 29 V HN 0.996 nan 8.190 nan 0.000 0.477 30 E N 2.028 122.210 120.200 -0.030 0.000 2.390 30 E HA 0.679 5.029 4.350 0.000 0.000 0.277 30 E C -0.119 176.462 176.600 -0.031 0.000 0.939 30 E CA 0.347 56.733 56.400 -0.024 0.000 0.769 30 E CB 1.899 31.588 29.700 -0.017 0.000 1.251 30 E HN 1.716 nan 8.360 nan 0.000 0.450 31 G N 1.780 110.563 108.800 -0.028 0.000 2.796 31 G HA2 -0.244 3.716 3.960 0.000 0.000 0.226 31 G HA3 -0.244 3.716 3.960 0.000 0.000 0.226 31 G C 0.442 175.330 174.900 -0.021 0.000 1.381 31 G CA 0.263 45.340 45.100 -0.037 0.000 0.867 31 G HN 0.579 nan 8.290 nan 0.000 0.552 32 E N -1.662 118.527 120.200 -0.019 0.000 2.256 32 E HA 0.155 4.505 4.350 0.000 0.000 0.198 32 E C 1.119 177.732 176.600 0.021 0.000 0.908 32 E CA 0.954 57.361 56.400 0.012 0.000 0.915 32 E CB 0.077 29.793 29.700 0.026 0.000 0.890 32 E HN 0.683 nan 8.360 nan 0.000 0.484 33 V N 4.053 123.965 119.914 -0.004 0.000 2.368 33 V HA 0.150 4.270 4.120 0.000 0.000 0.266 33 V C -0.080 176.002 176.094 -0.020 0.000 1.045 33 V CA -0.348 61.954 62.300 0.003 0.000 0.899 33 V CB 0.924 32.738 31.823 -0.015 0.000 1.006 33 V HN 0.146 nan 8.190 nan 0.000 0.470 34 Q N 3.570 123.365 119.800 -0.009 0.000 2.274 34 Q HA 0.572 4.912 4.340 0.000 0.000 0.260 34 Q C -0.647 175.315 176.000 -0.063 0.000 0.974 34 Q CA -0.710 55.066 55.803 -0.045 0.000 0.876 34 Q CB 2.569 31.273 28.738 -0.056 0.000 1.297 34 Q HN 0.502 nan 8.270 nan 0.000 0.446 35 V N 2.409 122.270 119.914 -0.089 0.000 2.465 35 V HA 0.474 4.594 4.120 0.000 0.000 0.279 35 V C 0.418 176.403 176.094 -0.182 0.000 1.045 35 V CA -0.576 61.654 62.300 -0.117 0.000 0.938 35 V CB 1.136 32.901 31.823 -0.096 0.000 0.986 35 V HN 0.618 nan 8.190 nan 0.000 0.467 36 V N 1.711 121.444 119.914 -0.303 0.000 3.074 36 V HA 1.041 5.161 4.120 0.000 0.000 0.314 36 V C -0.380 175.400 176.094 -0.523 0.000 1.117 36 V CA -0.534 61.518 62.300 -0.413 0.000 1.014 36 V CB 2.066 33.581 31.823 -0.513 0.000 1.057 36 V HN 0.989 nan 8.190 nan 0.000 0.438 37 S N 0.729 116.185 115.700 -0.407 0.000 2.547 37 S HA 0.787 5.257 4.470 0.000 0.000 0.270 37 S C -0.306 174.204 174.600 -0.149 0.000 1.150 37 S CA 0.145 58.173 58.200 -0.286 0.000 0.850 37 S CB 1.882 64.993 63.200 -0.148 0.000 1.118 37 S HN 1.911 nan 8.310 nan 0.000 0.461 38 T N 0.434 114.974 114.554 -0.023 0.000 2.898 38 T HA 0.760 5.110 4.350 0.000 0.000 0.283 38 T C 1.246 175.961 174.700 0.025 0.000 1.059 38 T CA -0.205 61.917 62.100 0.037 0.000 0.958 38 T CB 0.313 69.254 68.868 0.123 0.000 1.594 38 T HN 1.332 nan 8.240 nan 0.000 0.598 39 A N -0.012 122.829 122.820 0.035 0.000 2.278 39 A HA 0.338 4.659 4.320 0.000 0.000 0.212 39 A C 1.697 179.304 177.584 0.040 0.000 1.213 39 A CA 0.777 52.831 52.037 0.028 0.000 0.840 39 A CB -1.023 17.992 19.000 0.025 0.000 0.866 39 A HN 0.998 nan 8.150 nan 0.000 0.489 40 T N -3.965 110.624 114.554 0.058 0.000 3.073 40 T HA 0.241 4.591 4.350 0.000 0.000 0.264 40 T C 0.338 175.090 174.700 0.087 0.000 0.893 40 T CA 0.214 62.352 62.100 0.063 0.000 0.863 40 T CB -0.210 68.693 68.868 0.059 0.000 1.247 40 T HN 0.586 nan 8.240 nan 0.000 0.546 41 Q N 0.350 120.225 119.800 0.126 0.000 2.501 41 Q HA 0.811 5.151 4.340 0.000 0.000 0.288 41 Q C -1.448 174.675 176.000 0.206 0.000 1.051 41 Q CA -1.023 54.889 55.803 0.183 0.000 0.788 41 Q CB 2.150 31.021 28.738 0.222 0.000 1.469 41 Q HN 0.041 nan 8.270 nan 0.000 0.416 42 S N 0.549 116.384 115.700 0.225 0.000 2.548 42 S HA 0.909 5.379 4.470 0.000 0.000 0.286 42 S C -1.493 173.275 174.600 0.280 0.000 1.098 42 S CA -0.444 57.813 58.200 0.095 0.000 0.930 42 S CB 0.816 64.020 63.200 0.007 0.000 1.070 42 S HN 0.613 nan 8.310 nan 0.000 0.480 43 F N 1.085 121.033 119.950 -0.002 0.000 3.215 43 F HA 0.674 5.201 4.527 0.000 0.000 0.326 43 F C -1.840 173.965 175.800 0.008 0.000 1.189 43 F CA -1.371 56.630 58.000 0.002 0.000 0.905 43 F CB 0.451 39.447 39.000 -0.007 0.000 1.485 43 F HN 0.430 nan 8.300 nan 0.000 0.508 44 L N 1.203 122.592 121.223 0.276 0.000 2.332 44 L HA 0.937 5.277 4.340 0.000 0.000 0.269 44 L C -0.504 176.499 176.870 0.222 0.000 1.016 44 L CA -1.204 53.722 54.840 0.144 0.000 0.809 44 L CB 1.754 43.893 42.059 0.133 0.000 1.280 44 L HN 0.955 nan 8.230 nan 0.000 0.447 45 A N 0.336 123.244 122.820 0.148 0.000 2.455 45 A HA 0.788 5.108 4.320 0.000 0.000 0.300 45 A C -0.923 176.768 177.584 0.178 0.000 1.040 45 A CA -0.420 51.749 52.037 0.220 0.000 0.697 45 A CB 1.805 20.939 19.000 0.224 0.000 1.265 45 A HN 0.581 nan 8.150 nan 0.000 0.407 46 T N 1.182 115.879 114.554 0.239 0.000 2.841 46 T HA 0.403 4.754 4.350 0.000 0.000 0.285 46 T C -0.511 174.361 174.700 0.287 0.000 0.991 46 T CA -0.276 61.952 62.100 0.212 0.000 0.966 46 T CB 0.776 69.758 68.868 0.190 0.000 0.962 46 T HN 0.696 nan 8.240 nan 0.000 0.438 47 C N 3.980 123.399 119.300 0.199 0.000 2.442 47 C HA 0.567 5.027 4.460 0.000 0.000 0.362 47 C C 0.463 175.598 174.990 0.241 0.000 1.242 47 C CA -0.777 58.357 59.018 0.194 0.000 1.741 47 C CB -1.473 26.328 27.740 0.101 0.000 2.378 47 C HN 0.667 nan 8.230 nan 0.000 0.549 48 V N 4.936 125.082 119.914 0.387 0.000 2.483 48 V HA 0.428 4.549 4.120 0.000 0.000 0.297 48 V C -0.146 176.162 176.094 0.356 0.000 1.027 48 V CA -0.526 61.983 62.300 0.348 0.000 0.855 48 V CB 1.498 33.520 31.823 0.332 0.000 0.995 48 V HN 0.891 nan 8.190 nan 0.000 0.424 49 N N 3.751 122.579 118.700 0.213 0.000 2.740 49 N HA -0.197 4.543 4.740 0.000 0.000 0.248 49 N C 1.132 176.724 175.510 0.137 0.000 1.062 49 N CA 1.785 54.935 53.050 0.167 0.000 0.704 49 N CB -1.174 37.424 38.487 0.184 0.000 0.968 49 N HN 1.607 nan 8.380 nan 0.000 0.547 50 G N -3.423 105.437 108.800 0.100 0.000 2.179 50 G HA2 -0.294 3.666 3.960 0.000 0.000 0.260 50 G HA3 -0.294 3.666 3.960 0.000 0.000 0.260 50 G C -0.013 174.886 174.900 -0.002 0.000 0.977 50 G CA 0.366 45.496 45.100 0.050 0.000 0.641 50 G HN 0.583 nan 8.290 nan 0.000 0.533 51 V N 0.363 120.253 119.914 -0.039 0.000 2.555 51 V HA 0.594 4.714 4.120 0.000 0.000 0.302 51 V C 0.602 176.504 176.094 -0.319 0.000 1.038 51 V CA -0.486 61.637 62.300 -0.294 0.000 0.887 51 V CB 1.829 33.247 31.823 -0.675 0.000 0.991 51 V HN 0.553 nan 8.190 nan 0.000 0.434 52 C N 6.347 125.526 119.300 -0.201 0.000 2.225 52 C HA 0.589 5.049 4.460 0.000 0.000 0.328 52 C C -0.438 174.605 174.990 0.088 0.000 1.187 52 C CA -0.942 58.100 59.018 0.041 0.000 1.665 52 C CB -1.391 26.446 27.740 0.161 0.000 2.253 52 C HN 0.813 nan 8.230 nan 0.000 0.497 53 W N 3.998 125.418 121.300 0.201 0.000 2.509 53 W HA 0.691 5.351 4.660 0.000 0.000 0.351 53 W C 0.620 177.238 176.519 0.166 0.000 1.107 53 W CA -0.279 57.148 57.345 0.136 0.000 1.264 53 W CB 1.204 30.711 29.460 0.078 0.000 1.312 53 W HN 0.626 nan 8.180 nan 0.000 0.608 54 T N -0.545 114.224 114.554 0.358 0.000 2.693 54 T HA 0.400 4.750 4.350 0.000 0.000 0.304 54 T C -1.229 173.538 174.700 0.112 0.000 1.471 54 T CA -0.781 61.487 62.100 0.281 0.000 0.993 54 T CB 0.323 69.467 68.868 0.459 0.000 1.554 54 T HN 0.465 nan 8.240 nan 0.000 0.496 55 V N 2.281 122.172 119.914 -0.037 0.000 2.686 55 V HA 0.402 4.522 4.120 0.000 0.000 0.295 55 V C 1.091 177.035 176.094 -0.250 0.000 1.055 55 V CA -0.283 61.885 62.300 -0.221 0.000 1.050 55 V CB 0.385 31.824 31.823 -0.639 0.000 0.984 55 V HN 0.917 nan 8.190 nan 0.000 0.482 56 Y N 3.596 123.774 120.300 -0.204 0.000 2.314 56 Y HA -0.133 4.417 4.550 0.000 0.000 0.293 56 Y C 2.371 178.170 175.900 -0.168 0.000 1.129 56 Y CA 2.183 60.193 58.100 -0.151 0.000 1.201 56 Y CB -0.464 37.945 38.460 -0.084 0.000 0.999 56 Y HN 0.999 nan 8.280 nan 0.000 0.541 57 H N -2.131 116.815 119.070 -0.206 0.000 2.567 57 H HA 0.197 4.753 4.556 0.000 0.000 0.276 57 H C 1.831 176.910 175.328 -0.416 0.000 1.016 57 H CA 0.903 56.782 56.048 -0.282 0.000 1.186 57 H CB -0.414 29.244 29.762 -0.173 0.000 1.351 57 H HN 0.301 nan 8.280 nan 0.000 0.605 58 G N -0.242 108.045 108.800 -0.854 0.000 2.853 58 G HA2 0.182 4.142 3.960 0.000 0.000 0.202 58 G HA3 0.182 4.142 3.960 0.000 0.000 0.202 58 G C 1.621 176.193 174.900 -0.546 0.000 1.118 58 G CA 0.120 44.524 45.100 -1.160 0.000 0.831 58 G HN 0.504 nan 8.290 nan 0.000 0.613 59 A N 0.158 122.816 122.820 -0.269 0.000 2.123 59 A HA 0.501 4.821 4.320 0.000 0.000 0.214 59 A C 1.923 179.473 177.584 -0.057 0.000 1.152 59 A CA 1.488 53.622 52.037 0.161 0.000 0.728 59 A CB -0.797 18.419 19.000 0.360 0.000 0.814 59 A HN 1.685 nan 8.150 nan 0.000 0.464 60 G N -0.485 108.056 108.800 -0.432 0.000 2.594 60 G HA2 -0.288 3.672 3.960 0.000 0.000 0.297 60 G HA3 -0.288 3.672 3.960 0.000 0.000 0.297 60 G C 0.627 175.444 174.900 -0.140 0.000 1.273 60 G CA 0.394 45.115 45.100 -0.632 0.000 0.974 60 G HN 0.779 nan 8.290 nan 0.000 0.552 61 S N 1.058 116.784 115.700 0.043 0.000 2.573 61 S HA 0.248 4.718 4.470 0.000 0.000 0.244 61 S C 0.789 175.461 174.600 0.119 0.000 0.984 61 S CA 0.132 58.400 58.200 0.113 0.000 1.001 61 S CB 0.057 63.332 63.200 0.125 0.000 0.788 61 S HN 0.525 nan 8.310 nan 0.000 0.456 62 K N 2.812 123.310 120.400 0.163 0.000 2.355 62 K HA 0.136 4.456 4.320 0.000 0.000 0.270 62 K C 0.905 177.745 176.600 0.401 0.000 1.003 62 K CA -0.016 56.410 56.287 0.231 0.000 0.957 62 K CB 0.382 33.016 32.500 0.224 0.000 0.939 62 K HN 0.318 nan 8.250 nan 0.000 0.482 63 T N -0.517 114.190 114.554 0.256 0.000 2.828 63 T HA 0.234 4.584 4.350 0.000 0.000 0.290 63 T C 0.128 174.826 174.700 -0.003 0.000 1.019 63 T CA -0.904 61.336 62.100 0.234 0.000 1.031 63 T CB 0.619 69.533 68.868 0.077 0.000 1.001 63 T HN 0.375 nan 8.240 nan 0.000 0.531 64 L N 1.496 122.474 121.223 -0.409 0.000 2.287 64 L HA 0.586 4.926 4.340 0.000 0.000 0.287 64 L C 0.450 177.072 176.870 -0.413 0.000 1.022 64 L CA -1.168 53.194 54.840 -0.797 0.000 0.814 64 L CB 0.975 42.097 42.059 -1.561 0.000 1.217 64 L HN 1.061 nan 8.230 nan 0.000 0.420 65 A N 3.967 126.603 122.820 -0.306 0.000 2.548 65 A HA 0.498 4.818 4.320 0.000 0.000 0.247 65 A C 0.386 177.853 177.584 -0.196 0.000 1.067 65 A CA 0.565 52.485 52.037 -0.195 0.000 0.757 65 A CB -0.061 18.844 19.000 -0.158 0.000 0.996 65 A HN 0.900 nan 8.150 nan 0.000 0.504 66 G N 1.552 110.265 108.800 -0.145 0.000 2.818 66 G HA2 0.659 4.619 3.960 0.000 0.000 0.286 66 G HA3 0.659 4.619 3.960 0.000 0.000 0.286 66 G C -2.005 172.845 174.900 -0.084 0.000 1.364 66 G CA -0.826 44.200 45.100 -0.123 0.000 0.938 66 G HN 0.337 nan 8.290 nan 0.000 0.490 67 P HA 0.019 nan 4.420 nan 0.000 0.223 67 P C 0.784 178.060 177.300 -0.041 0.000 1.151 67 P CA 1.009 64.079 63.100 -0.051 0.000 0.787 67 P CB 0.447 32.120 31.700 -0.045 0.000 0.788 68 K N -0.855 119.520 120.400 -0.041 0.000 2.387 68 K HA 0.443 4.763 4.320 0.000 0.000 0.203 68 K C 0.671 177.252 176.600 -0.030 0.000 1.030 68 K CA 0.285 56.553 56.287 -0.031 0.000 1.099 68 K CB 0.765 33.250 32.500 -0.026 0.000 0.863 68 K HN 0.215 nan 8.250 nan 0.000 0.529 69 G N 0.514 109.290 108.800 -0.040 0.000 2.353 69 G HA2 -0.085 3.875 3.960 0.000 0.000 0.615 69 G HA3 -0.085 3.875 3.960 0.000 0.000 0.615 69 G C -2.946 171.924 174.900 -0.051 0.000 1.280 69 G CA -1.295 43.783 45.100 -0.038 0.000 1.000 69 G HN -0.167 nan 8.290 nan 0.000 0.516 70 P HA 0.386 nan 4.420 nan 0.000 0.265 70 P C -0.108 177.166 177.300 -0.043 0.000 1.193 70 P CA 0.185 63.252 63.100 -0.054 0.000 0.765 70 P CB 0.389 32.075 31.700 -0.025 0.000 0.823 71 I N 2.702 123.226 120.570 -0.077 0.000 2.315 71 I HA 0.175 4.345 4.170 0.000 0.000 0.291 71 I C 1.179 177.356 176.117 0.100 0.000 1.006 71 I CA -0.339 60.943 61.300 -0.030 0.000 1.265 71 I CB 1.096 39.031 38.000 -0.108 0.000 1.387 71 I HN 0.318 nan 8.210 nan 0.000 0.475 72 T N 2.739 117.367 114.554 0.124 0.000 2.882 72 T HA 0.257 4.607 4.350 0.000 0.000 0.287 72 T C 0.036 174.873 174.700 0.229 0.000 1.014 72 T CA -0.912 61.290 62.100 0.170 0.000 1.049 72 T CB 0.769 69.679 68.868 0.070 0.000 1.001 72 T HN 0.487 nan 8.240 nan 0.000 0.525 73 Q N 1.456 121.324 119.800 0.113 0.000 2.300 73 Q HA 0.099 4.440 4.340 0.000 0.000 0.280 73 Q C 0.953 176.797 176.000 -0.260 0.000 1.033 73 Q CA -0.157 55.519 55.803 -0.213 0.000 0.903 73 Q CB 0.854 29.389 28.738 -0.339 0.000 1.195 73 Q HN 0.804 nan 8.270 nan 0.000 0.386 74 M N 2.744 122.109 119.600 -0.391 0.000 2.334 74 M HA -0.004 4.476 4.480 0.000 0.000 0.266 74 M C -0.783 174.989 176.300 -0.881 0.000 1.082 74 M CA 1.239 56.147 55.300 -0.652 0.000 1.141 74 M CB 0.652 32.776 32.600 -0.792 0.000 1.380 74 M HN 0.543 nan 8.290 nan 0.000 0.440 75 Y N -0.838 119.310 120.300 -0.253 0.000 2.492 75 Y HA 0.460 5.010 4.550 0.000 0.000 0.346 75 Y C -0.785 175.012 175.900 -0.172 0.000 0.997 75 Y CA -1.352 56.644 58.100 -0.173 0.000 1.025 75 Y CB 2.090 40.514 38.460 -0.061 0.000 1.263 75 Y HN -0.209 nan 8.280 nan 0.000 0.454 76 T N 2.314 116.896 114.554 0.048 0.000 3.160 76 T HA 0.136 4.486 4.350 0.000 0.000 0.346 76 T C -1.085 173.572 174.700 -0.072 0.000 1.027 76 T CA -0.745 61.334 62.100 -0.036 0.000 1.287 76 T CB -0.021 68.800 68.868 -0.078 0.000 0.997 76 T HN 0.470 nan 8.240 nan 0.000 0.518 77 N N 2.831 121.498 118.700 -0.054 0.000 2.678 77 N HA 0.187 4.927 4.740 0.000 0.000 0.231 77 N C 1.186 176.586 175.510 -0.183 0.000 1.038 77 N CA -0.249 52.739 53.050 -0.104 0.000 0.932 77 N CB 1.184 39.634 38.487 -0.062 0.000 1.176 77 N HN 0.232 nan 8.380 nan 0.000 0.511 78 V N 2.142 121.861 119.914 -0.325 0.000 2.720 78 V HA -0.154 3.966 4.120 0.000 0.000 0.256 78 V C 1.563 177.528 176.094 -0.214 0.000 1.082 78 V CA 1.330 63.364 62.300 -0.444 0.000 1.101 78 V CB -0.165 31.291 31.823 -0.612 0.000 0.693 78 V HN 0.568 nan 8.190 nan 0.000 0.479 79 D N -0.096 120.208 120.400 -0.160 0.000 2.162 79 D HA -0.120 4.520 4.640 0.000 0.000 0.203 79 D C 2.111 178.359 176.300 -0.086 0.000 0.967 79 D CA 1.038 54.971 54.000 -0.110 0.000 0.840 79 D CB 0.025 40.766 40.800 -0.099 0.000 0.972 79 D HN 0.554 nan 8.370 nan 0.000 0.482 80 Q N 0.188 119.938 119.800 -0.083 0.000 2.392 80 Q HA 0.006 4.346 4.340 0.000 0.000 0.203 80 Q C -0.206 175.768 176.000 -0.042 0.000 0.917 80 Q CA 0.022 55.783 55.803 -0.070 0.000 0.939 80 Q CB 0.616 29.305 28.738 -0.082 0.000 1.063 80 Q HN -0.019 nan 8.270 nan 0.000 0.516 81 D N 0.160 120.545 120.400 -0.024 0.000 2.835 81 D HA -0.158 4.482 4.640 0.000 0.000 0.230 81 D C -1.354 174.974 176.300 0.047 0.000 1.130 81 D CA 0.491 54.519 54.000 0.048 0.000 0.738 81 D CB -0.871 39.970 40.800 0.069 0.000 1.090 81 D HN 0.195 nan 8.370 nan 0.000 0.433 82 L N 0.606 121.848 121.223 0.032 0.000 2.385 82 L HA 0.655 4.995 4.340 0.000 0.000 0.273 82 L C 0.086 177.023 176.870 0.111 0.000 0.990 82 L CA -0.925 53.956 54.840 0.067 0.000 0.821 82 L CB 1.969 44.035 42.059 0.013 0.000 1.279 82 L HN 0.023 nan 8.230 nan 0.000 0.412 83 V N 0.588 120.564 119.914 0.103 0.000 3.001 83 V HA 1.054 5.175 4.120 0.000 0.000 0.314 83 V C -0.314 175.738 176.094 -0.070 0.000 1.099 83 V CA -0.470 61.803 62.300 -0.046 0.000 0.989 83 V CB 1.891 33.544 31.823 -0.283 0.000 1.040 83 V HN 0.819 nan 8.190 nan 0.000 0.434 84 G N 1.473 110.094 108.800 -0.298 0.000 2.719 84 G HA2 0.619 4.579 3.960 0.000 0.000 0.298 84 G HA3 0.619 4.579 3.960 0.000 0.000 0.298 84 G C -1.664 172.929 174.900 -0.511 0.000 1.411 84 G CA -0.578 44.237 45.100 -0.474 0.000 0.991 84 G HN 0.742 nan 8.290 nan 0.000 0.509 85 W N 0.716 121.851 121.300 -0.274 0.000 2.761 85 W HA 0.421 5.081 4.660 0.000 0.000 0.340 85 W C 0.096 176.459 176.519 -0.261 0.000 1.072 85 W CA -0.934 56.276 57.345 -0.226 0.000 1.215 85 W CB 2.123 31.500 29.460 -0.138 0.000 1.420 85 W HN 0.635 nan 8.180 nan 0.000 0.519 86 Q N 1.973 121.784 119.800 0.018 0.000 2.255 86 Q HA 0.368 4.709 4.340 0.000 0.000 0.280 86 Q C 0.113 176.106 176.000 -0.010 0.000 1.068 86 Q CA 0.116 55.894 55.803 -0.042 0.000 0.911 86 Q CB 0.845 29.553 28.738 -0.049 0.000 1.157 86 Q HN 0.412 nan 8.270 nan 0.000 0.380 87 A N 6.680 129.485 122.820 -0.025 0.000 2.546 87 A HA 0.254 4.574 4.320 0.000 0.000 0.243 87 A C -1.998 175.567 177.584 -0.033 0.000 1.063 87 A CA -0.958 51.066 52.037 -0.022 0.000 0.757 87 A CB -0.442 18.552 19.000 -0.010 0.000 0.991 87 A HN 0.782 nan 8.150 nan 0.000 0.503 88 P HA 0.242 nan 4.420 nan 0.000 0.272 88 P C -2.663 174.613 177.300 -0.040 0.000 1.223 88 P CA -1.321 61.745 63.100 -0.057 0.000 0.784 88 P CB -0.294 31.354 31.700 -0.087 0.000 0.923 89 P HA -0.006 nan 4.420 nan 0.000 0.265 89 P C 0.939 178.224 177.300 -0.025 0.000 1.187 89 P CA 1.046 64.131 63.100 -0.024 0.000 0.766 89 P CB -0.005 31.682 31.700 -0.022 0.000 0.820 90 G N 1.198 109.988 108.800 -0.017 0.000 2.254 90 G HA2 -0.135 3.825 3.960 0.000 0.000 0.225 90 G HA3 -0.135 3.825 3.960 0.000 0.000 0.225 90 G C 0.320 175.211 174.900 -0.015 0.000 1.003 90 G CA 0.055 45.145 45.100 -0.017 0.000 0.622 90 G HN 0.878 nan 8.290 nan 0.000 0.507 91 A N 1.500 124.311 122.820 -0.015 0.000 2.401 91 A HA 0.705 5.025 4.320 0.000 0.000 0.259 91 A C 0.807 178.394 177.584 0.005 0.000 1.103 91 A CA 0.068 52.100 52.037 -0.008 0.000 0.789 91 A CB 0.268 19.263 19.000 -0.009 0.000 1.035 91 A HN 0.592 nan 8.150 nan 0.000 0.491 92 R N 1.699 122.205 120.500 0.010 0.000 2.758 92 R HA 0.753 5.093 4.340 0.000 0.000 0.265 92 R C -0.796 175.526 176.300 0.036 0.000 1.016 92 R CA -0.593 55.519 56.100 0.020 0.000 1.040 92 R CB 1.380 31.686 30.300 0.011 0.000 1.152 92 R HN 0.563 nan 8.270 nan 0.000 0.503 93 S N 0.486 116.217 115.700 0.051 0.000 2.568 93 S HA 0.508 4.978 4.470 0.000 0.000 0.293 93 S C -0.155 174.496 174.600 0.086 0.000 1.089 93 S CA -0.790 57.457 58.200 0.079 0.000 0.945 93 S CB 1.636 64.893 63.200 0.095 0.000 1.077 93 S HN 0.330 nan 8.310 nan 0.000 0.485 94 L N 1.824 123.110 121.223 0.105 0.000 2.454 94 L HA 0.634 4.974 4.340 0.000 0.000 0.256 94 L C 0.582 177.541 176.870 0.147 0.000 1.136 94 L CA -0.452 54.457 54.840 0.116 0.000 0.804 94 L CB 1.235 43.355 42.059 0.102 0.000 1.181 94 L HN 0.789 nan 8.230 nan 0.000 0.469 95 T N -1.841 112.833 114.554 0.201 0.000 2.906 95 T HA 0.543 4.893 4.350 0.000 0.000 0.295 95 T C -2.790 171.964 174.700 0.091 0.000 1.075 95 T CA -2.281 59.896 62.100 0.129 0.000 1.005 95 T CB 1.836 70.747 68.868 0.071 0.000 1.136 95 T HN 0.155 nan 8.240 nan 0.000 0.498 96 P HA 0.140 nan 4.420 nan 0.000 0.266 96 P C 0.131 177.389 177.300 -0.071 0.000 1.193 96 P CA -0.534 62.555 63.100 -0.018 0.000 0.770 96 P CB 0.134 31.815 31.700 -0.033 0.000 0.836 97 C N 3.031 122.327 119.300 -0.006 0.000 2.514 97 C HA 0.329 4.789 4.460 0.000 0.000 0.392 97 C C 1.741 176.708 174.990 -0.039 0.000 1.294 97 C CA 0.665 59.690 59.018 0.011 0.000 1.957 97 C CB -0.758 27.019 27.740 0.063 0.000 2.541 97 C HN 0.771 nan 8.230 nan 0.000 0.569 98 T N 1.109 115.626 114.554 -0.063 0.000 3.001 98 T HA -0.034 4.317 4.350 0.000 0.000 0.251 98 T C 1.590 176.284 174.700 -0.009 0.000 1.040 98 T CA 0.826 62.899 62.100 -0.045 0.000 0.985 98 T CB -0.737 68.092 68.868 -0.065 0.000 1.011 98 T HN 1.032 nan 8.240 nan 0.000 0.509 99 C N 1.622 120.931 119.300 0.014 0.000 2.446 99 C HA 0.512 4.972 4.460 0.000 0.000 0.279 99 C C 2.448 177.451 174.990 0.023 0.000 1.366 99 C CA -0.069 58.964 59.018 0.026 0.000 1.763 99 C CB -1.620 26.148 27.740 0.047 0.000 1.929 99 C HN 0.881 nan 8.230 nan 0.000 0.509 100 G N 1.050 109.863 108.800 0.022 0.000 2.160 100 G HA2 -0.240 3.720 3.960 0.000 0.000 0.251 100 G HA3 -0.240 3.720 3.960 0.000 0.000 0.251 100 G C 0.230 175.143 174.900 0.023 0.000 1.008 100 G CA 0.722 45.834 45.100 0.020 0.000 0.724 100 G HN 1.085 nan 8.290 nan 0.000 0.514 101 S N -0.959 114.758 115.700 0.028 0.000 2.566 101 S HA 0.464 4.934 4.470 0.000 0.000 0.280 101 S C 1.547 176.155 174.600 0.013 0.000 1.343 101 S CA 0.820 59.036 58.200 0.027 0.000 1.036 101 S CB 1.036 64.262 63.200 0.044 0.000 0.866 101 S HN 0.527 nan 8.310 nan 0.000 0.526 102 S N 1.356 117.059 115.700 0.005 0.000 2.524 102 S HA 0.176 4.646 4.470 0.000 0.000 0.215 102 S C -0.582 173.992 174.600 -0.045 0.000 0.986 102 S CA -0.284 57.912 58.200 -0.007 0.000 0.911 102 S CB 0.017 63.218 63.200 0.002 0.000 0.805 102 S HN 0.690 nan 8.310 nan 0.000 0.501 103 D N 2.182 122.552 120.400 -0.050 0.000 2.411 103 D HA 0.350 4.990 4.640 0.000 0.000 0.225 103 D C -0.535 175.607 176.300 -0.264 0.000 1.156 103 D CA -0.104 53.817 54.000 -0.130 0.000 0.874 103 D CB 0.710 41.496 40.800 -0.022 0.000 1.034 103 D HN 0.077 nan 8.370 nan 0.000 0.502 104 L N 2.151 123.114 121.223 -0.434 0.000 2.376 104 L HA 0.498 4.838 4.340 0.000 0.000 0.267 104 L C -0.679 175.609 176.870 -0.969 0.000 1.035 104 L CA -0.898 53.655 54.840 -0.478 0.000 0.800 104 L CB 0.526 42.410 42.059 -0.292 0.000 1.290 104 L HN 0.260 nan 8.230 nan 0.000 0.462 105 Y N 0.965 121.209 120.300 -0.094 0.000 2.361 105 Y HA 0.478 5.028 4.550 0.000 0.000 0.328 105 Y C -0.628 175.202 175.900 -0.116 0.000 1.044 105 Y CA -0.927 57.122 58.100 -0.084 0.000 1.085 105 Y CB 1.694 40.116 38.460 -0.063 0.000 1.194 105 Y HN 0.271 nan 8.280 nan 0.000 0.438 106 L N 4.560 125.755 121.223 -0.046 0.000 2.289 106 L HA 0.755 5.095 4.340 0.000 0.000 0.285 106 L C -1.160 175.669 176.870 -0.069 0.000 1.049 106 L CA -0.780 53.987 54.840 -0.121 0.000 0.804 106 L CB 1.125 43.028 42.059 -0.262 0.000 1.195 106 L HN 0.382 nan 8.230 nan 0.000 0.428 107 V N 4.654 124.532 119.914 -0.061 0.000 2.370 107 V HA 0.511 4.631 4.120 0.000 0.000 0.279 107 V C 0.606 176.664 176.094 -0.060 0.000 1.029 107 V CA -0.166 62.110 62.300 -0.040 0.000 0.870 107 V CB 1.193 33.003 31.823 -0.022 0.000 0.984 107 V HN 0.983 nan 8.190 nan 0.000 0.451 108 T N 1.999 116.507 114.554 -0.075 0.000 2.912 108 T HA 0.383 4.733 4.350 0.000 0.000 0.280 108 T C 1.172 175.806 174.700 -0.109 0.000 0.989 108 T CA -0.616 61.420 62.100 -0.106 0.000 0.995 108 T CB 1.161 69.923 68.868 -0.176 0.000 1.077 108 T HN 0.717 nan 8.240 nan 0.000 0.531 109 R N -0.064 120.321 120.500 -0.192 0.000 2.193 109 R HA -0.072 4.268 4.340 0.000 0.000 0.229 109 R C 0.780 176.897 176.300 -0.305 0.000 1.110 109 R CA 1.424 57.371 56.100 -0.254 0.000 0.988 109 R CB -0.922 29.181 30.300 -0.328 0.000 0.871 109 R HN 0.806 nan 8.270 nan 0.000 0.458 110 H N 0.624 119.676 119.070 -0.030 0.000 2.567 110 H HA 0.427 4.984 4.556 0.000 0.000 0.294 110 H C 0.397 175.732 175.328 0.013 0.000 1.050 110 H CA 0.245 56.293 56.048 -0.001 0.000 1.168 110 H CB 0.683 30.449 29.762 0.006 0.000 1.422 110 H HN 0.428 nan 8.280 nan 0.000 0.562 111 A N 0.824 123.672 122.820 0.047 0.000 2.745 111 A HA -0.233 4.087 4.320 0.000 0.000 0.296 111 A C -0.370 177.256 177.584 0.069 0.000 1.500 111 A CA 0.809 52.872 52.037 0.043 0.000 0.766 111 A CB -1.695 17.343 19.000 0.064 0.000 1.030 111 A HN 0.488 nan 8.150 nan 0.000 0.489 112 D N -0.870 119.570 120.400 0.068 0.000 2.181 112 D HA 0.535 5.175 4.640 0.000 0.000 0.248 112 D C -0.188 176.145 176.300 0.055 0.000 1.020 112 D CA -0.148 53.907 54.000 0.092 0.000 0.891 112 D CB 1.820 42.712 40.800 0.153 0.000 1.187 112 D HN 0.164 nan 8.370 nan 0.000 0.443 113 V N 3.698 123.656 119.914 0.074 0.000 2.284 113 V HA 0.182 4.302 4.120 0.000 0.000 0.274 113 V C -0.170 176.001 176.094 0.128 0.000 1.023 113 V CA -0.717 61.630 62.300 0.078 0.000 0.808 113 V CB 0.861 32.714 31.823 0.049 0.000 1.035 113 V HN 0.344 nan 8.190 nan 0.000 0.445 114 I N 7.030 127.663 120.570 0.105 0.000 2.342 114 I HA 0.410 4.580 4.170 0.000 0.000 0.291 114 I C -2.275 173.879 176.117 0.062 0.000 1.010 114 I CA -3.221 58.137 61.300 0.097 0.000 1.308 114 I CB 1.261 39.299 38.000 0.063 0.000 1.400 114 I HN 0.321 nan 8.210 nan 0.000 0.488 115 P HA 0.286 nan 4.420 nan 0.000 0.276 115 P C -0.655 176.533 177.300 -0.186 0.000 1.230 115 P CA -0.143 62.870 63.100 -0.144 0.000 0.776 115 P CB 0.976 32.662 31.700 -0.023 0.000 0.888 116 V N 3.781 123.511 119.914 -0.306 0.000 2.760 116 V HA 0.457 4.577 4.120 0.000 0.000 0.309 116 V C -0.025 175.968 176.094 -0.170 0.000 1.077 116 V CA -0.821 61.375 62.300 -0.174 0.000 0.910 116 V CB 2.345 34.087 31.823 -0.135 0.000 1.008 116 V HN 0.357 nan 8.190 nan 0.000 0.424 117 R N 3.817 124.268 120.500 -0.081 0.000 2.202 117 R HA 0.378 4.718 4.340 0.000 0.000 0.334 117 R C 0.091 176.390 176.300 -0.001 0.000 1.036 117 R CA -0.274 55.794 56.100 -0.054 0.000 0.878 117 R CB 0.425 30.707 30.300 -0.030 0.000 1.067 117 R HN 0.686 nan 8.270 nan 0.000 0.457 118 R N 3.293 123.798 120.500 0.009 0.000 2.623 118 R HA 0.063 4.403 4.340 0.000 0.000 0.271 118 R C -0.033 176.303 176.300 0.061 0.000 1.043 118 R CA 0.521 56.670 56.100 0.082 0.000 1.083 118 R CB 0.553 30.902 30.300 0.081 0.000 0.974 118 R HN 0.714 nan 8.270 nan 0.000 0.436 119 R N 1.440 121.982 120.500 0.070 0.000 2.539 119 R HA 0.227 4.567 4.340 0.000 0.000 0.342 119 R C 0.309 176.613 176.300 0.008 0.000 0.941 119 R CA 0.138 56.255 56.100 0.028 0.000 1.146 119 R CB 1.629 31.939 30.300 0.017 0.000 1.541 119 R HN 0.796 nan 8.270 nan 0.000 0.525 120 G N -0.165 108.641 108.800 0.011 0.000 2.488 120 G HA2 -0.030 3.930 3.960 0.000 0.000 0.301 120 G HA3 -0.030 3.930 3.960 0.000 0.000 0.301 120 G C -0.865 174.023 174.900 -0.021 0.000 1.339 120 G CA -0.391 44.693 45.100 -0.027 0.000 0.803 120 G HN -0.090 nan 8.290 nan 0.000 0.482 121 D N -0.856 119.511 120.400 -0.054 0.000 2.312 121 D HA -0.047 4.593 4.640 0.000 0.000 0.211 121 D C 1.555 177.773 176.300 -0.138 0.000 0.964 121 D CA 1.665 55.649 54.000 -0.026 0.000 0.877 121 D CB 0.228 41.009 40.800 -0.032 0.000 0.924 121 D HN 0.388 nan 8.370 nan 0.000 0.515 122 S N -0.989 114.455 115.700 -0.426 0.000 3.053 122 S HA 0.354 4.824 4.470 0.000 0.000 0.255 122 S C 0.193 174.024 174.600 -1.282 0.000 0.976 122 S CA -0.759 56.835 58.200 -1.009 0.000 1.159 122 S CB 0.957 63.858 63.200 -0.498 0.000 1.110 122 S HN -0.101 nan 8.310 nan 0.000 0.633 123 R N 0.894 120.938 120.500 -0.761 0.000 2.686 123 R HA 0.856 5.196 4.340 0.000 0.000 0.283 123 R C -0.380 175.931 176.300 0.019 0.000 0.978 123 R CA 0.013 55.916 56.100 -0.328 0.000 0.897 123 R CB 1.782 31.984 30.300 -0.164 0.000 1.192 123 R HN 0.368 nan 8.270 nan 0.000 0.457 124 G N 0.039 108.935 108.800 0.160 0.000 2.696 124 G HA2 0.463 4.423 3.960 0.000 0.000 0.295 124 G HA3 0.463 4.423 3.960 0.000 0.000 0.295 124 G C -1.375 173.583 174.900 0.097 0.000 1.398 124 G CA -0.396 44.819 45.100 0.190 0.000 0.920 124 G HN 0.434 nan 8.290 nan 0.000 0.492 125 S N 0.255 115.985 115.700 0.050 0.000 2.462 125 S HA 0.443 4.913 4.470 0.000 0.000 0.294 125 S C -0.160 174.444 174.600 0.007 0.000 1.144 125 S CA -0.562 57.653 58.200 0.025 0.000 1.088 125 S CB 1.156 64.362 63.200 0.010 0.000 1.009 125 S HN 0.400 nan 8.310 nan 0.000 0.484 126 L N 4.104 125.334 121.223 0.011 0.000 2.360 126 L HA 0.190 4.530 4.340 0.000 0.000 0.276 126 L C 0.995 177.863 176.870 -0.005 0.000 1.121 126 L CA 0.091 54.932 54.840 0.001 0.000 0.845 126 L CB 0.269 42.339 42.059 0.019 0.000 1.143 126 L HN 0.616 nan 8.230 nan 0.000 0.452 127 L N 2.218 123.432 121.223 -0.014 0.000 2.265 127 L HA -0.069 4.271 4.340 0.000 0.000 0.215 127 L C 0.749 177.616 176.870 -0.004 0.000 1.117 127 L CA 1.106 55.940 54.840 -0.011 0.000 0.782 127 L CB -0.510 41.541 42.059 -0.012 0.000 0.914 127 L HN 0.616 nan 8.230 nan 0.000 0.441 128 S N -0.634 115.066 115.700 -0.001 0.000 2.745 128 S HA 0.424 4.894 4.470 0.000 0.000 0.283 128 S C -2.450 172.149 174.600 -0.002 0.000 1.170 128 S CA -1.143 57.053 58.200 -0.005 0.000 1.119 128 S CB 1.550 64.743 63.200 -0.012 0.000 1.035 128 S HN -0.128 nan 8.310 nan 0.000 0.483 129 P HA 0.192 nan 4.420 nan 0.000 0.265 129 P C -0.326 176.971 177.300 -0.005 0.000 1.193 129 P CA -0.008 63.095 63.100 0.005 0.000 0.765 129 P CB 0.500 32.199 31.700 -0.001 0.000 0.823 130 R N 3.361 123.872 120.500 0.018 0.000 2.837 130 R HA 0.500 4.840 4.340 0.000 0.000 0.271 130 R C -2.754 173.575 176.300 0.049 0.000 0.993 130 R CA -2.379 53.722 56.100 0.001 0.000 0.931 130 R CB 1.131 31.435 30.300 0.007 0.000 1.206 130 R HN 0.233 nan 8.270 nan 0.000 0.474 131 P HA -0.042 nan 4.420 nan 0.000 0.268 131 P C 1.020 178.396 177.300 0.126 0.000 1.205 131 P CA -0.099 63.039 63.100 0.064 0.000 0.771 131 P CB 0.573 32.300 31.700 0.044 0.000 0.858 132 V N 2.164 122.146 119.914 0.113 0.000 2.324 132 V HA -0.308 3.812 4.120 0.000 0.000 0.250 132 V C 2.335 178.531 176.094 0.170 0.000 1.060 132 V CA 2.589 64.973 62.300 0.141 0.000 1.042 132 V CB -1.957 29.932 31.823 0.111 0.000 0.650 132 V HN 0.717 nan 8.190 nan 0.000 0.450 133 S N -0.164 115.627 115.700 0.151 0.000 2.407 133 S HA -0.378 4.092 4.470 0.000 0.000 0.235 133 S C 1.931 176.668 174.600 0.228 0.000 1.036 133 S CA 2.154 60.451 58.200 0.162 0.000 1.013 133 S CB -1.107 62.171 63.200 0.130 0.000 0.820 133 S HN 0.736 nan 8.310 nan 0.000 0.476 134 Y N 1.577 121.934 120.300 0.094 0.000 2.352 134 Y HA 0.100 4.650 4.550 0.000 0.000 0.292 134 Y C 1.942 177.941 175.900 0.166 0.000 1.136 134 Y CA 1.276 59.438 58.100 0.105 0.000 1.227 134 Y CB -0.049 38.448 38.460 0.062 0.000 0.991 134 Y HN 0.243 nan 8.280 nan 0.000 0.545 135 L N 0.098 121.406 121.223 0.143 0.000 2.477 135 L HA 0.028 4.368 4.340 0.000 0.000 0.220 135 L C 0.560 177.558 176.870 0.213 0.000 1.106 135 L CA 0.084 54.993 54.840 0.115 0.000 0.851 135 L CB -0.096 42.110 42.059 0.244 0.000 0.994 135 L HN -0.098 nan 8.230 nan 0.000 0.462 136 K N 1.227 121.740 120.400 0.187 0.000 2.447 136 K HA 0.192 4.512 4.320 0.000 0.000 0.281 136 K C 0.955 177.646 176.600 0.152 0.000 1.031 136 K CA 0.853 57.242 56.287 0.170 0.000 1.019 136 K CB 0.540 33.127 32.500 0.145 0.000 0.918 136 K HN 0.260 nan 8.250 nan 0.000 0.476 137 G N 1.803 110.696 108.800 0.156 0.000 2.176 137 G HA2 -0.239 3.721 3.960 0.000 0.000 0.232 137 G HA3 -0.239 3.721 3.960 0.000 0.000 0.232 137 G C 0.680 175.662 174.900 0.136 0.000 0.986 137 G CA 0.186 45.369 45.100 0.139 0.000 0.643 137 G HN 0.522 nan 8.290 nan 0.000 0.522 138 S N 0.020 115.840 115.700 0.200 0.000 2.539 138 S HA 0.423 4.893 4.470 0.000 0.000 0.221 138 S C 1.073 175.919 174.600 0.410 0.000 0.987 138 S CA 0.539 58.893 58.200 0.256 0.000 0.929 138 S CB 0.519 63.852 63.200 0.223 0.000 0.832 138 S HN 0.537 nan 8.310 nan 0.000 0.492 139 S N 0.999 116.849 115.700 0.250 0.000 2.546 139 S HA 0.395 4.865 4.470 0.000 0.000 0.290 139 S C 1.304 176.003 174.600 0.165 0.000 1.290 139 S CA 0.984 59.219 58.200 0.059 0.000 1.069 139 S CB 0.430 63.585 63.200 -0.075 0.000 0.846 139 S HN 0.748 nan 8.310 nan 0.000 0.495 140 G N 2.896 111.787 108.800 0.152 0.000 2.213 140 G HA2 -0.157 3.803 3.960 0.000 0.000 0.226 140 G HA3 -0.157 3.803 3.960 0.000 0.000 0.226 140 G C 0.392 175.425 174.900 0.221 0.000 0.992 140 G CA -0.145 45.082 45.100 0.211 0.000 0.632 140 G HN 1.114 nan 8.290 nan 0.000 0.511 141 G N 0.880 109.833 108.800 0.255 0.000 2.539 141 G HA2 0.610 4.571 3.960 0.000 0.000 0.258 141 G HA3 0.610 4.571 3.960 0.000 0.000 0.258 141 G C -1.963 173.034 174.900 0.162 0.000 1.202 141 G CA -0.302 44.914 45.100 0.193 0.000 0.851 141 G HN 0.321 nan 8.290 nan 0.000 0.556 142 P HA 0.327 nan 4.420 nan 0.000 0.282 142 P C -0.866 176.411 177.300 -0.039 0.000 1.259 142 P CA -0.690 62.428 63.100 0.029 0.000 0.826 142 P CB 1.773 33.486 31.700 0.022 0.000 1.064 143 L N 2.776 123.921 121.223 -0.130 0.000 2.287 143 L HA 0.455 4.795 4.340 0.000 0.000 0.287 143 L C 0.133 176.908 176.870 -0.157 0.000 1.022 143 L CA -0.476 54.216 54.840 -0.246 0.000 0.814 143 L CB 0.560 42.252 42.059 -0.612 0.000 1.217 143 L HN 0.353 nan 8.230 nan 0.000 0.420 144 L N 3.252 124.439 121.223 -0.059 0.000 2.330 144 L HA 0.563 4.903 4.340 0.000 0.000 0.271 144 L C 0.391 177.309 176.870 0.079 0.000 1.013 144 L CA -0.747 54.102 54.840 0.014 0.000 0.816 144 L CB 2.178 44.263 42.059 0.044 0.000 1.287 144 L HN 0.676 nan 8.230 nan 0.000 0.435 145 C N 0.017 119.367 119.300 0.083 0.000 2.347 145 C HA 0.465 4.925 4.460 0.000 0.000 0.366 145 C C -1.214 173.886 174.990 0.184 0.000 1.241 145 C CA -1.399 57.692 59.018 0.120 0.000 2.360 145 C CB 1.107 28.899 27.740 0.087 0.000 2.290 145 C HN 0.664 nan 8.230 nan 0.000 0.587 146 P HA -0.073 nan 4.420 nan 0.000 0.220 146 P C 1.346 178.654 177.300 0.013 0.000 1.144 146 P CA 1.640 64.822 63.100 0.136 0.000 0.800 146 P CB -0.085 31.703 31.700 0.146 0.000 0.772 147 S N -1.859 113.859 115.700 0.030 0.000 2.593 147 S HA 0.284 4.754 4.470 0.000 0.000 0.217 147 S C 1.456 175.946 174.600 -0.182 0.000 0.966 147 S CA 0.571 58.757 58.200 -0.023 0.000 0.914 147 S CB -0.689 62.574 63.200 0.105 0.000 0.776 147 S HN 0.338 nan 8.310 nan 0.000 0.523 148 G N 2.028 110.747 108.800 -0.134 0.000 2.160 148 G HA2 -0.204 3.756 3.960 0.000 0.000 0.244 148 G HA3 -0.204 3.756 3.960 0.000 0.000 0.244 148 G C -0.213 174.534 174.900 -0.256 0.000 1.022 148 G CA -0.185 44.804 45.100 -0.185 0.000 0.741 148 G HN 0.528 nan 8.290 nan 0.000 0.508 149 H N -0.280 118.795 119.070 0.007 0.000 2.567 149 H HA 0.701 5.257 4.556 0.000 0.000 0.345 149 H C 0.673 175.998 175.328 -0.005 0.000 1.169 149 H CA 0.068 56.118 56.048 0.004 0.000 1.227 149 H CB 1.756 31.521 29.762 0.006 0.000 1.607 149 H HN 0.510 nan 8.280 nan 0.000 0.534 150 A N 1.761 124.663 122.820 0.138 0.000 2.409 150 A HA 0.310 4.630 4.320 0.000 0.000 0.262 150 A C 0.820 178.404 177.584 0.001 0.000 1.113 150 A CA -0.349 51.714 52.037 0.043 0.000 0.790 150 A CB 0.205 19.227 19.000 0.037 0.000 1.046 150 A HN 0.505 nan 8.150 nan 0.000 0.496 151 V N 2.154 122.029 119.914 -0.064 0.000 3.212 151 V HA 0.442 4.562 4.120 0.000 0.000 0.244 151 V C 1.195 177.210 176.094 -0.132 0.000 1.151 151 V CA 1.170 63.407 62.300 -0.105 0.000 1.119 151 V CB -0.169 31.547 31.823 -0.178 0.000 0.838 151 V HN 1.289 nan 8.190 nan 0.000 0.470 152 G N 0.122 108.812 108.800 -0.183 0.000 2.451 152 G HA2 0.518 4.479 3.960 0.000 0.000 0.292 152 G HA3 0.518 4.479 3.960 0.000 0.000 0.292 152 G C -1.960 172.918 174.900 -0.037 0.000 1.427 152 G CA -0.298 44.762 45.100 -0.066 0.000 0.792 152 G HN 0.286 nan 8.290 nan 0.000 0.498 153 I N -1.115 119.499 120.570 0.074 0.000 2.406 153 I HA 0.794 4.964 4.170 0.000 0.000 0.290 153 I C -0.622 175.645 176.117 0.250 0.000 0.999 153 I CA -1.100 60.272 61.300 0.120 0.000 1.124 153 I CB 1.547 39.594 38.000 0.078 0.000 1.289 153 I HN 0.427 nan 8.210 nan 0.000 0.441 154 F N 7.728 127.741 119.950 0.106 0.000 2.607 154 F HA 0.261 4.788 4.527 0.000 0.000 0.374 154 F C 1.096 176.981 175.800 0.142 0.000 1.104 154 F CA 0.174 58.263 58.000 0.149 0.000 1.296 154 F CB 0.588 39.646 39.000 0.096 0.000 1.085 154 F HN 0.796 nan 8.300 nan 0.000 0.584 155 R N 2.962 123.176 120.500 -0.477 0.000 2.591 155 R HA 0.721 5.061 4.340 0.000 0.000 0.288 155 R C -1.001 175.006 176.300 -0.488 0.000 0.947 155 R CA 0.244 56.115 56.100 -0.383 0.000 1.085 155 R CB 0.226 30.480 30.300 -0.077 0.000 1.618 155 R HN 0.648 nan 8.270 nan 0.000 0.524 156 A N 0.540 122.990 122.820 -0.618 0.000 2.583 156 A HA 0.780 5.100 4.320 0.000 0.000 0.292 156 A C -1.746 175.848 177.584 0.017 0.000 1.045 156 A CA -0.461 51.395 52.037 -0.300 0.000 0.672 156 A CB 1.073 19.971 19.000 -0.170 0.000 1.283 156 A HN 0.341 nan 8.150 nan 0.000 0.419 157 A N 0.120 123.003 122.820 0.106 0.000 2.340 157 A HA 0.743 5.064 4.320 0.000 0.000 0.331 157 A C -0.781 176.863 177.584 0.100 0.000 1.140 157 A CA -0.511 51.649 52.037 0.205 0.000 0.801 157 A CB 1.242 20.386 19.000 0.240 0.000 1.234 157 A HN 1.589 nan 8.150 nan 0.000 0.469 158 V N 1.481 121.446 119.914 0.085 0.000 2.347 158 V HA 0.354 4.474 4.120 0.000 0.000 0.280 158 V C -0.156 175.946 176.094 0.013 0.000 1.021 158 V CA -0.504 61.814 62.300 0.030 0.000 0.847 158 V CB 0.278 32.113 31.823 0.019 0.000 0.990 158 V HN 1.003 nan 8.190 nan 0.000 0.444 159 C N 2.915 122.200 119.300 -0.024 0.000 2.505 159 C HA 0.811 5.271 4.460 0.000 0.000 0.358 159 C C 0.580 175.512 174.990 -0.096 0.000 1.226 159 C CA -0.504 58.490 59.018 -0.041 0.000 1.900 159 C CB 1.823 29.547 27.740 -0.027 0.000 2.306 159 C HN 0.811 nan 8.230 nan 0.000 0.512 160 T N 1.311 115.816 114.554 -0.081 0.000 3.008 160 T HA 0.410 4.760 4.350 0.000 0.000 0.328 160 T C -0.155 174.493 174.700 -0.087 0.000 1.020 160 T CA -0.374 61.665 62.100 -0.102 0.000 1.043 160 T CB 0.364 69.190 68.868 -0.069 0.000 1.010 160 T HN 0.728 nan 8.240 nan 0.000 0.466 161 R N 1.905 122.334 120.500 -0.119 0.000 3.333 161 R HA -0.223 4.117 4.340 0.000 0.000 0.256 161 R C 1.265 177.543 176.300 -0.037 0.000 1.010 161 R CA 0.938 56.991 56.100 -0.078 0.000 0.680 161 R CB -1.740 28.526 30.300 -0.057 0.000 1.102 161 R HN 1.241 nan 8.270 nan 0.000 0.440 162 G N -1.740 107.040 108.800 -0.032 0.000 2.184 162 G HA2 -0.341 3.619 3.960 0.000 0.000 0.264 162 G HA3 -0.341 3.619 3.960 0.000 0.000 0.264 162 G C 0.176 175.085 174.900 0.016 0.000 0.975 162 G CA 0.173 45.277 45.100 0.008 0.000 0.642 162 G HN 0.330 nan 8.290 nan 0.000 0.536 163 V N 1.380 121.294 119.914 -0.000 0.000 2.370 163 V HA 0.727 4.847 4.120 0.000 0.000 0.279 163 V C 0.811 176.916 176.094 0.018 0.000 1.029 163 V CA -0.352 61.955 62.300 0.011 0.000 0.870 163 V CB 1.368 33.189 31.823 -0.002 0.000 0.984 163 V HN 1.036 nan 8.190 nan 0.000 0.451 164 A N 5.022 127.870 122.820 0.046 0.000 2.409 164 A HA 0.454 4.774 4.320 0.000 0.000 0.267 164 A C 0.985 178.595 177.584 0.044 0.000 1.127 164 A CA -0.315 51.758 52.037 0.060 0.000 0.795 164 A CB 0.211 19.276 19.000 0.108 0.000 1.061 164 A HN 1.011 nan 8.150 nan 0.000 0.502 165 K N 1.650 122.069 120.400 0.032 0.000 2.391 165 K HA 0.572 4.892 4.320 0.000 0.000 0.197 165 K C 0.343 176.962 176.600 0.032 0.000 1.087 165 K CA 0.724 57.024 56.287 0.021 0.000 1.012 165 K CB 0.525 33.027 32.500 0.003 0.000 0.925 165 K HN 0.743 nan 8.250 nan 0.000 0.547 166 A N 1.085 123.935 122.820 0.050 0.000 2.593 166 A HA 0.621 4.941 4.320 0.000 0.000 0.290 166 A C -1.279 176.377 177.584 0.121 0.000 1.126 166 A CA -0.505 51.573 52.037 0.068 0.000 0.695 166 A CB 1.778 20.805 19.000 0.046 0.000 1.290 166 A HN 0.218 nan 8.150 nan 0.000 0.414 167 V N -1.388 118.625 119.914 0.166 0.000 2.823 167 V HA 0.807 4.927 4.120 0.000 0.000 0.312 167 V C -0.998 175.255 176.094 0.266 0.000 1.072 167 V CA -0.638 61.845 62.300 0.304 0.000 0.937 167 V CB 1.679 33.714 31.823 0.353 0.000 1.013 167 V HN 0.929 nan 8.190 nan 0.000 0.430 168 D N 2.351 122.903 120.400 0.253 0.000 2.185 168 D HA 0.789 5.429 4.640 0.000 0.000 0.247 168 D C -0.909 175.494 176.300 0.172 0.000 1.027 168 D CA -0.249 53.769 54.000 0.030 0.000 0.861 168 D CB 1.627 42.403 40.800 -0.040 0.000 1.202 168 D HN 0.739 nan 8.370 nan 0.000 0.453 169 F N 0.731 120.727 119.950 0.076 0.000 2.654 169 F HA 0.510 5.037 4.527 0.000 0.000 0.308 169 F C -1.555 174.245 175.800 0.000 0.000 1.108 169 F CA -1.397 56.645 58.000 0.071 0.000 0.957 169 F CB 0.466 39.547 39.000 0.135 0.000 1.309 169 F HN 0.035 nan 8.300 nan 0.000 0.446 170 V N 3.883 123.927 119.914 0.217 0.000 2.470 170 V HA 0.298 4.418 4.120 0.000 0.000 0.276 170 V C -1.893 174.298 176.094 0.162 0.000 1.040 170 V CA -1.403 60.941 62.300 0.072 0.000 1.008 170 V CB 0.449 32.253 31.823 -0.031 0.000 0.990 170 V HN 0.618 nan 8.190 nan 0.000 0.477 171 P HA 0.055 nan 4.420 nan 0.000 0.271 171 P C 0.933 178.220 177.300 -0.022 0.000 1.218 171 P CA 0.125 63.306 63.100 0.135 0.000 0.780 171 P CB 1.477 33.222 31.700 0.075 0.000 0.901 172 V N 2.602 122.498 119.914 -0.031 0.000 2.594 172 V HA -0.223 3.897 4.120 0.000 0.000 0.253 172 V C 2.164 178.187 176.094 -0.118 0.000 1.069 172 V CA 2.099 64.332 62.300 -0.111 0.000 1.082 172 V CB -0.962 30.819 31.823 -0.069 0.000 0.680 172 V HN 0.568 nan 8.190 nan 0.000 0.469 173 E N -0.477 119.680 120.200 -0.071 0.000 2.204 173 E HA -0.131 4.219 4.350 0.000 0.000 0.194 173 E C 2.216 178.756 176.600 -0.100 0.000 0.989 173 E CA 1.379 57.737 56.400 -0.069 0.000 0.824 173 E CB -0.719 28.956 29.700 -0.041 0.000 0.756 173 E HN 0.612 nan 8.360 nan 0.000 0.477 174 S N 1.269 116.894 115.700 -0.125 0.000 2.368 174 S HA -0.052 4.418 4.470 0.000 0.000 0.224 174 S C 2.064 176.528 174.600 -0.226 0.000 1.029 174 S CA 1.335 59.444 58.200 -0.151 0.000 0.988 174 S CB -0.245 62.864 63.200 -0.152 0.000 0.838 174 S HN 0.211 nan 8.310 nan 0.000 0.462 175 M N 1.100 120.494 119.600 -0.343 0.000 2.159 175 M HA -0.112 4.368 4.480 0.000 0.000 0.263 175 M C 2.204 178.359 176.300 -0.241 0.000 1.063 175 M CA 1.318 56.291 55.300 -0.545 0.000 1.110 175 M CB -0.362 31.680 32.600 -0.930 0.000 1.374 175 M HN 0.262 nan 8.290 nan 0.000 0.411 176 E N -0.476 119.636 120.200 -0.148 0.000 2.106 176 E HA -0.130 4.220 4.350 0.000 0.000 0.192 176 E C 1.924 178.491 176.600 -0.055 0.000 0.984 176 E CA 1.451 57.819 56.400 -0.054 0.000 0.806 176 E CB 0.096 29.772 29.700 -0.040 0.000 0.750 176 E HN 0.445 nan 8.360 nan 0.000 0.458 177 T N 0.002 114.506 114.554 -0.083 0.000 2.708 177 T HA -0.137 4.213 4.350 0.000 0.000 0.266 177 T C 1.940 176.588 174.700 -0.088 0.000 1.037 177 T CA 1.627 63.686 62.100 -0.070 0.000 1.146 177 T CB -0.432 68.391 68.868 -0.074 0.000 0.865 177 T HN 0.168 nan 8.240 nan 0.000 0.435 178 T N 2.148 116.613 114.554 -0.148 0.000 2.737 178 T HA -0.062 4.288 4.350 0.000 0.000 0.269 178 T C 1.903 176.428 174.700 -0.293 0.000 1.040 178 T CA 1.218 63.175 62.100 -0.237 0.000 1.142 178 T CB -0.335 68.340 68.868 -0.321 0.000 0.861 178 T HN 0.345 nan 8.240 nan 0.000 0.456 179 M N -0.047 119.457 119.600 -0.160 0.000 2.492 179 M HA 0.095 4.575 4.480 0.000 0.000 0.262 179 M C 2.149 178.482 176.300 0.054 0.000 1.090 179 M CA 0.987 56.274 55.300 -0.022 0.000 1.110 179 M CB -0.047 32.620 32.600 0.111 0.000 1.407 179 M HN 0.051 nan 8.290 nan 0.000 0.470 180 R N -0.606 119.904 120.500 0.016 0.000 2.280 180 R HA 0.138 4.478 4.340 0.000 0.000 0.195 180 R C 0.282 176.605 176.300 0.038 0.000 0.935 180 R CA 0.052 56.172 56.100 0.032 0.000 1.033 180 R CB 0.340 30.648 30.300 0.013 0.000 0.964 180 R HN 0.181 nan 8.270 nan 0.000 0.489 181 S N 1.088 116.807 115.700 0.032 0.000 2.713 181 S HA 0.388 4.858 4.470 0.000 0.000 0.283 181 S C -2.363 172.291 174.600 0.092 0.000 1.161 181 S CA -1.328 56.898 58.200 0.044 0.000 0.999 181 S CB 1.214 64.422 63.200 0.013 0.000 1.039 181 S HN -0.088 nan 8.310 nan 0.000 0.548 182 P HA 0.141 nan 4.420 nan 0.000 0.266 182 P C 0.331 177.686 177.300 0.091 0.000 1.195 182 P CA -0.136 63.026 63.100 0.103 0.000 0.768 182 P CB 0.368 32.123 31.700 0.092 0.000 0.838 183 V N 1.702 121.641 119.914 0.041 0.000 2.725 183 V HA 0.033 4.153 4.120 0.000 0.000 0.247 183 V C 0.464 176.296 176.094 -0.437 0.000 1.058 183 V CA 1.180 63.339 62.300 -0.235 0.000 1.080 183 V CB -0.562 30.979 31.823 -0.469 0.000 0.713 183 V HN 0.401 nan 8.190 nan 0.000 0.465 184 F N -0.250 119.709 119.950 0.016 0.000 2.469 184 F HA 0.608 5.135 4.527 0.000 0.000 0.332 184 F C 0.212 176.014 175.800 0.005 0.000 1.103 184 F CA -0.522 57.481 58.000 0.004 0.000 0.979 184 F CB 1.757 40.754 39.000 -0.006 0.000 1.137 184 F HN -0.273 nan 8.300 nan 0.000 0.463 185 T N 1.031 115.681 114.554 0.160 0.000 2.861 185 T HA 0.227 4.577 4.350 0.000 0.000 0.287 185 T C -1.454 173.281 174.700 0.058 0.000 1.003 185 T CA -0.767 61.381 62.100 0.081 0.000 0.977 185 T CB 1.736 70.623 68.868 0.031 0.000 0.996 185 T HN 0.446 nan 8.240 nan 0.000 0.448 186 D N 1.809 122.226 120.400 0.028 0.000 2.295 186 D HA 0.287 4.927 4.640 0.000 0.000 0.248 186 D C 0.290 176.564 176.300 -0.042 0.000 1.154 186 D CA -0.278 53.723 54.000 0.002 0.000 0.857 186 D CB 0.448 41.246 40.800 -0.002 0.000 1.117 186 D HN 0.369 nan 8.370 nan 0.000 0.468 187 N N 1.949 120.606 118.700 -0.073 0.000 2.301 187 N HA -0.018 4.722 4.740 0.000 0.000 0.247 187 N C 0.418 175.861 175.510 -0.113 0.000 1.347 187 N CA 0.076 53.028 53.050 -0.163 0.000 0.844 187 N CB 0.835 39.067 38.487 -0.425 0.000 1.332 187 N HN 0.358 nan 8.380 nan 0.000 0.494 188 S N -0.844 114.830 115.700 -0.043 0.000 2.496 188 S HA 0.152 4.622 4.470 0.000 0.000 0.224 188 S C 0.858 175.446 174.600 -0.020 0.000 0.996 188 S CA 0.022 58.215 58.200 -0.012 0.000 0.927 188 S CB 0.284 63.483 63.200 -0.001 0.000 0.774 188 S HN -0.017 nan 8.310 nan 0.000 0.524 189 S N 2.623 118.303 115.700 -0.034 0.000 2.532 189 S HA 0.616 5.086 4.470 0.000 0.000 0.301 189 S C -2.985 171.592 174.600 -0.038 0.000 1.083 189 S CA -1.382 56.796 58.200 -0.036 0.000 1.025 189 S CB 1.232 64.409 63.200 -0.038 0.000 1.056 189 S HN 0.089 nan 8.310 nan 0.000 0.494 190 P HA 0.209 nan 4.420 nan 0.000 0.263 190 P C -2.244 175.056 177.300 0.000 0.000 1.195 190 P CA -0.763 62.327 63.100 -0.017 0.000 0.762 190 P CB -0.510 31.134 31.700 -0.093 0.000 0.799 191 P HA 0.186 nan 4.420 nan 0.000 0.272 191 P C -0.651 176.695 177.300 0.076 0.000 1.223 191 P CA -0.314 62.797 63.100 0.017 0.000 0.784 191 P CB 0.720 32.398 31.700 -0.037 0.000 0.923 192 A N 2.166 125.002 122.820 0.027 0.000 2.322 192 A HA 0.340 4.660 4.320 0.000 0.000 0.269 192 A C 0.120 177.700 177.584 -0.007 0.000 1.094 192 A CA -0.636 51.429 52.037 0.048 0.000 0.807 192 A CB 0.133 19.147 19.000 0.023 0.000 1.047 192 A HN 0.387 nan 8.150 nan 0.000 0.487 193 V N 4.212 124.098 119.914 -0.046 0.000 2.521 193 V HA 0.219 4.339 4.120 0.000 0.000 0.286 193 V C -1.380 174.660 176.094 -0.090 0.000 1.034 193 V CA -0.680 61.500 62.300 -0.200 0.000 1.045 193 V CB 0.307 31.801 31.823 -0.550 0.000 0.974 193 V HN 0.917 nan 8.190 nan 0.000 0.480 194 P HA 0.229 nan 4.420 nan 0.000 0.277 194 P C 0.239 177.530 177.300 -0.016 0.000 1.271 194 P CA -0.482 62.585 63.100 -0.055 0.000 0.795 194 P CB 1.249 32.898 31.700 -0.085 0.000 1.101 195 Q N 0.398 120.199 119.800 0.002 0.000 2.046 195 Q HA -0.047 4.293 4.340 0.000 0.000 0.200 195 Q C 0.629 176.648 176.000 0.031 0.000 0.975 195 Q CA 1.486 57.303 55.803 0.024 0.000 0.836 195 Q CB -0.336 28.413 28.738 0.019 0.000 0.896 195 Q HN 0.642 nan 8.270 nan 0.000 0.428 196 S N -1.437 114.278 115.700 0.024 0.000 2.689 196 S HA 0.391 4.861 4.470 0.000 0.000 0.306 196 S C -0.524 174.115 174.600 0.065 0.000 1.104 196 S CA -0.984 57.250 58.200 0.057 0.000 0.973 196 S CB 0.675 63.908 63.200 0.055 0.000 1.121 196 S HN 0.241 nan 8.310 nan 0.000 0.523 197 F N 1.746 121.673 119.950 -0.039 0.000 2.580 197 F HA 0.254 4.781 4.527 0.000 0.000 0.398 197 F C 0.234 175.997 175.800 -0.062 0.000 1.023 197 F CA 0.878 58.846 58.000 -0.054 0.000 1.188 197 F CB -0.005 38.970 39.000 -0.043 0.000 1.005 197 F HN 0.656 nan 8.300 nan 0.000 0.546 198 Q N 3.782 123.073 119.800 -0.849 0.000 2.359 198 Q HA 0.595 4.935 4.340 0.000 0.000 0.274 198 Q C -1.593 173.869 176.000 -0.896 0.000 1.074 198 Q CA -0.790 54.573 55.803 -0.734 0.000 0.810 198 Q CB 2.345 30.867 28.738 -0.361 0.000 1.342 198 Q HN 0.503 nan 8.270 nan 0.000 0.427 199 V N 1.962 121.472 119.914 -0.673 0.000 2.394 199 V HA 0.920 5.040 4.120 0.000 0.000 0.282 199 V C -0.481 175.370 176.094 -0.404 0.000 1.031 199 V CA -0.389 61.603 62.300 -0.513 0.000 0.881 199 V CB 1.051 32.658 31.823 -0.359 0.000 0.982 199 V HN 0.818 nan 8.190 nan 0.000 0.451 200 A N 4.123 126.701 122.820 -0.404 0.000 2.469 200 A HA 0.801 5.121 4.320 0.000 0.000 0.299 200 A C -0.857 176.453 177.584 -0.456 0.000 1.098 200 A CA -0.678 51.145 52.037 -0.357 0.000 0.737 200 A CB 1.327 20.190 19.000 -0.229 0.000 1.312 200 A HN 0.830 nan 8.150 nan 0.000 0.414 201 H N 0.680 119.661 119.070 -0.148 0.000 2.458 201 H HA 0.508 5.064 4.556 0.000 0.000 0.330 201 H C -1.362 173.829 175.328 -0.227 0.000 1.111 201 H CA -0.334 55.616 56.048 -0.163 0.000 1.245 201 H CB 1.835 31.458 29.762 -0.231 0.000 1.456 201 H HN 0.426 nan 8.280 nan 0.000 0.488 202 L N 4.652 125.878 121.223 0.005 0.000 2.342 202 L HA 0.249 4.589 4.340 0.000 0.000 0.276 202 L C -0.930 176.056 176.870 0.194 0.000 0.997 202 L CA -0.399 54.446 54.840 0.007 0.000 0.838 202 L CB 0.433 42.507 42.059 0.025 0.000 1.224 202 L HN 0.612 nan 8.230 nan 0.000 0.416 203 H N 5.089 124.183 119.070 0.040 0.000 2.725 203 H HA 0.814 5.370 4.556 0.000 0.000 0.283 203 H C -0.553 174.784 175.328 0.015 0.000 1.110 203 H CA -0.659 55.407 56.048 0.030 0.000 1.289 203 H CB 1.225 30.998 29.762 0.018 0.000 1.400 203 H HN 0.794 nan 8.280 nan 0.000 0.493 204 A N 4.210 127.108 122.820 0.130 0.000 2.539 204 A HA 0.543 4.863 4.320 0.000 0.000 0.296 204 A C -2.815 174.797 177.584 0.046 0.000 1.073 204 A CA -1.961 50.115 52.037 0.067 0.000 0.700 204 A CB 1.342 20.367 19.000 0.041 0.000 1.296 204 A HN 0.319 nan 8.150 nan 0.000 0.405 205 P HA 0.142 nan 4.420 nan 0.000 0.270 205 P C 0.103 177.419 177.300 0.026 0.000 1.221 205 P CA 0.345 63.452 63.100 0.011 0.000 0.788 205 P CB 0.211 31.904 31.700 -0.011 0.000 0.904 206 T N 0.534 115.109 114.554 0.034 0.000 2.926 206 T HA 0.368 4.718 4.350 0.000 0.000 0.307 206 T C 1.071 175.799 174.700 0.047 0.000 1.059 206 T CA 0.896 63.027 62.100 0.052 0.000 1.122 206 T CB -0.231 68.677 68.868 0.066 0.000 0.972 206 T HN 0.838 nan 8.240 nan 0.000 0.545 207 G N 1.528 110.355 108.800 0.046 0.000 2.272 207 G HA2 -0.241 3.719 3.960 0.000 0.000 0.280 207 G HA3 -0.241 3.719 3.960 0.000 0.000 0.280 207 G C 0.515 175.432 174.900 0.028 0.000 1.067 207 G CA 0.173 45.294 45.100 0.035 0.000 0.902 207 G HN 0.685 nan 8.290 nan 0.000 0.500 208 S N -1.006 114.709 115.700 0.024 0.000 2.603 208 S HA 0.455 4.925 4.470 0.000 0.000 0.232 208 S C 1.860 176.467 174.600 0.013 0.000 1.016 208 S CA 0.940 59.150 58.200 0.017 0.000 0.976 208 S CB 0.725 63.933 63.200 0.013 0.000 0.921 208 S HN 2.212 nan 8.310 nan 0.000 0.516 209 G N 2.428 111.235 108.800 0.013 0.000 2.136 209 G HA2 -0.288 3.672 3.960 0.000 0.000 0.242 209 G HA3 -0.288 3.672 3.960 0.000 0.000 0.242 209 G C 0.824 175.706 174.900 -0.030 0.000 0.989 209 G CA 0.601 45.705 45.100 0.007 0.000 0.682 209 G HN 0.422 nan 8.290 nan 0.000 0.522 210 K N -0.133 120.250 120.400 -0.028 0.000 2.074 210 K HA -0.073 4.247 4.320 0.000 0.000 0.209 210 K C 2.463 179.004 176.600 -0.097 0.000 1.048 210 K CA 1.753 58.019 56.287 -0.036 0.000 0.926 210 K CB -0.201 32.295 32.500 -0.006 0.000 0.713 210 K HN 0.335 nan 8.250 nan 0.000 0.444 211 S N -0.882 114.715 115.700 -0.172 0.000 2.524 211 S HA -0.007 4.463 4.470 0.000 0.000 0.216 211 S C 1.393 175.782 174.600 -0.351 0.000 0.987 211 S CA 0.978 58.934 58.200 -0.408 0.000 0.909 211 S CB 0.260 62.957 63.200 -0.838 0.000 0.781 211 S HN 0.529 nan 8.310 nan 0.000 0.521 212 T N -1.274 113.200 114.554 -0.134 0.000 3.393 212 T HA 0.306 4.656 4.350 0.000 0.000 0.231 212 T C 1.617 176.343 174.700 0.043 0.000 0.983 212 T CA -0.047 62.102 62.100 0.082 0.000 1.272 212 T CB -0.428 68.526 68.868 0.143 0.000 1.214 212 T HN 0.045 nan 8.240 nan 0.000 0.368 213 K N 1.031 121.451 120.400 0.033 0.000 2.020 213 K HA -0.117 4.203 4.320 0.000 0.000 0.212 213 K C 2.475 178.974 176.600 -0.168 0.000 1.050 213 K CA 1.986 58.188 56.287 -0.142 0.000 0.929 213 K CB -0.609 31.886 32.500 -0.010 0.000 0.714 213 K HN 0.311 nan 8.250 nan 0.000 0.443 214 V N 0.546 120.394 119.914 -0.109 0.000 2.358 214 V HA -0.066 4.054 4.120 0.000 0.000 0.246 214 V C -1.173 174.882 176.094 -0.066 0.000 1.047 214 V CA 1.336 63.550 62.300 -0.144 0.000 1.035 214 V CB -1.111 30.659 31.823 -0.089 0.000 0.658 214 V HN 0.278 nan 8.190 nan 0.000 0.452 215 P HA -0.068 nan 4.420 nan 0.000 0.219 215 P C 1.863 179.197 177.300 0.058 0.000 1.150 215 P CA 2.284 65.441 63.100 0.094 0.000 0.814 215 P CB -0.234 31.438 31.700 -0.048 0.000 0.787 216 A N 0.857 123.646 122.820 -0.051 0.000 1.908 216 A HA -0.111 4.209 4.320 0.000 0.000 0.218 216 A C 2.525 180.061 177.584 -0.080 0.000 1.181 216 A CA 2.395 54.371 52.037 -0.101 0.000 0.627 216 A CB -1.576 17.186 19.000 -0.397 0.000 0.818 216 A HN 0.240 nan 8.150 nan 0.000 0.445 217 A N -1.365 121.368 122.820 -0.145 0.000 1.877 217 A HA -0.061 4.259 4.320 0.000 0.000 0.216 217 A C 2.081 179.625 177.584 -0.068 0.000 1.186 217 A CA 1.595 53.539 52.037 -0.154 0.000 0.620 217 A CB -0.852 17.984 19.000 -0.272 0.000 0.822 217 A HN 0.563 nan 8.150 nan 0.000 0.443 218 Y N 0.056 120.360 120.300 0.008 0.000 2.181 218 Y HA -0.120 4.430 4.550 0.000 0.000 0.288 218 Y C 2.923 178.914 175.900 0.152 0.000 1.146 218 Y CA 0.818 58.971 58.100 0.087 0.000 1.164 218 Y CB -0.734 37.734 38.460 0.012 0.000 0.982 218 Y HN 0.333 nan 8.280 nan 0.000 0.515 219 A N 0.161 123.126 122.820 0.241 0.000 1.877 219 A HA -0.094 4.227 4.320 0.000 0.000 0.216 219 A C 2.391 180.036 177.584 0.102 0.000 1.186 219 A CA 1.655 53.788 52.037 0.160 0.000 0.620 219 A CB -1.327 17.740 19.000 0.112 0.000 0.822 219 A HN 0.370 nan 8.150 nan 0.000 0.443 220 A N -0.473 122.386 122.820 0.066 0.000 2.245 220 A HA -0.121 4.199 4.320 0.000 0.000 0.217 220 A C 1.755 179.356 177.584 0.029 0.000 1.171 220 A CA 1.627 53.683 52.037 0.031 0.000 0.688 220 A CB -0.541 18.462 19.000 0.004 0.000 0.781 220 A HN 0.809 nan 8.150 nan 0.000 0.479 221 Q N -2.461 117.377 119.800 0.063 0.000 2.110 221 Q HA 0.431 4.771 4.340 0.000 0.000 0.232 221 Q C 0.640 176.581 176.000 -0.099 0.000 0.810 221 Q CA 0.539 56.360 55.803 0.030 0.000 1.083 221 Q CB -0.117 28.684 28.738 0.106 0.000 1.193 221 Q HN 0.851 nan 8.270 nan 0.000 0.471 222 G N 0.417 109.164 108.800 -0.088 0.000 2.194 222 G HA2 -0.290 3.670 3.960 0.000 0.000 0.236 222 G HA3 -0.290 3.670 3.960 0.000 0.000 0.236 222 G C -0.398 174.365 174.900 -0.228 0.000 0.987 222 G CA 0.155 45.126 45.100 -0.215 0.000 0.635 222 G HN 0.394 nan 8.290 nan 0.000 0.520 223 Y N 0.403 120.731 120.300 0.046 0.000 2.403 223 Y HA 0.661 5.211 4.550 0.000 0.000 0.323 223 Y C 0.677 176.597 175.900 0.033 0.000 1.226 223 Y CA -0.860 57.257 58.100 0.029 0.000 1.235 223 Y CB 0.892 39.358 38.460 0.012 0.000 1.248 223 Y HN -0.045 nan 8.280 nan 0.000 0.489 224 K N 1.634 122.158 120.400 0.207 0.000 2.267 224 K HA 0.442 4.762 4.320 0.000 0.000 0.282 224 K C -1.038 175.709 176.600 0.245 0.000 1.078 224 K CA -0.437 55.950 56.287 0.166 0.000 0.903 224 K CB 1.129 33.658 32.500 0.049 0.000 1.111 224 K HN 0.430 nan 8.250 nan 0.000 0.475 225 V N 4.671 124.697 119.914 0.186 0.000 2.495 225 V HA 0.531 4.651 4.120 0.000 0.000 0.298 225 V C -1.469 174.542 176.094 -0.139 0.000 1.031 225 V CA -1.143 61.169 62.300 0.019 0.000 0.871 225 V CB 1.367 33.140 31.823 -0.082 0.000 0.988 225 V HN 0.652 nan 8.190 nan 0.000 0.432 226 L N 7.590 128.541 121.223 -0.453 0.000 2.272 226 L HA 0.689 5.029 4.340 0.000 0.000 0.289 226 L C -0.633 175.886 176.870 -0.585 0.000 1.032 226 L CA 0.168 54.560 54.840 -0.747 0.000 0.810 226 L CB 1.563 42.834 42.059 -1.312 0.000 1.205 226 L HN 0.574 nan 8.230 nan 0.000 0.422 227 V N 6.946 126.486 119.914 -0.623 0.000 2.357 227 V HA 0.401 4.522 4.120 0.000 0.000 0.284 227 V C 0.071 175.874 176.094 -0.484 0.000 1.018 227 V CA -0.532 61.414 62.300 -0.590 0.000 0.841 227 V CB 1.249 32.568 31.823 -0.839 0.000 0.991 227 V HN 0.608 nan 8.190 nan 0.000 0.437 228 L N 4.822 125.739 121.223 -0.510 0.000 2.289 228 L HA 0.579 4.919 4.340 0.000 0.000 0.285 228 L C -0.180 176.341 176.870 -0.581 0.000 1.049 228 L CA -0.183 54.240 54.840 -0.694 0.000 0.804 228 L CB 1.495 42.862 42.059 -1.152 0.000 1.195 228 L HN 0.606 nan 8.230 nan 0.000 0.428 229 N N 2.266 120.711 118.700 -0.425 0.000 2.284 229 N HA 0.436 5.176 4.740 0.000 0.000 0.289 229 N C -2.145 173.420 175.510 0.093 0.000 1.179 229 N CA -1.285 51.741 53.050 -0.039 0.000 0.774 229 N CB 2.731 41.335 38.487 0.195 0.000 1.548 229 N HN 0.133 nan 8.380 nan 0.000 0.473 230 P HA -0.023 nan 4.420 nan 0.000 0.220 230 P C -0.331 177.046 177.300 0.129 0.000 1.152 230 P CA 0.768 64.022 63.100 0.258 0.000 0.812 230 P CB 0.219 31.999 31.700 0.134 0.000 0.792 231 S N -0.724 115.037 115.700 0.103 0.000 2.462 231 S HA 0.241 4.711 4.470 0.000 0.000 0.294 231 S C 0.987 175.606 174.600 0.031 0.000 1.144 231 S CA -0.725 57.511 58.200 0.060 0.000 1.088 231 S CB 1.434 64.666 63.200 0.053 0.000 1.009 231 S HN -0.119 nan 8.310 nan 0.000 0.484 232 V N 4.702 124.629 119.914 0.021 0.000 2.515 232 V HA -0.007 4.113 4.120 0.000 0.000 0.250 232 V C 2.425 178.501 176.094 -0.030 0.000 1.058 232 V CA 2.562 64.865 62.300 0.006 0.000 1.064 232 V CB -1.098 30.732 31.823 0.011 0.000 0.675 232 V HN 1.040 nan 8.190 nan 0.000 0.461 233 A N -0.274 122.523 122.820 -0.038 0.000 1.930 233 A HA 0.072 4.392 4.320 0.000 0.000 0.217 233 A C 2.379 179.849 177.584 -0.191 0.000 1.175 233 A CA 1.851 53.834 52.037 -0.090 0.000 0.627 233 A CB -0.803 18.159 19.000 -0.063 0.000 0.815 233 A HN 0.798 nan 8.150 nan 0.000 0.443 234 A N -1.242 121.461 122.820 -0.196 0.000 1.929 234 A HA 0.011 4.331 4.320 0.000 0.000 0.216 234 A C 2.267 179.504 177.584 -0.579 0.000 1.176 234 A CA 2.023 53.807 52.037 -0.422 0.000 0.628 234 A CB -1.047 17.821 19.000 -0.218 0.000 0.816 234 A HN 0.388 nan 8.150 nan 0.000 0.444 235 T N 0.670 115.133 114.554 -0.152 0.000 2.708 235 T HA -0.092 4.258 4.350 0.000 0.000 0.266 235 T C 1.813 176.481 174.700 -0.054 0.000 1.037 235 T CA 1.516 63.650 62.100 0.057 0.000 1.146 235 T CB -0.388 68.541 68.868 0.101 0.000 0.865 235 T HN 0.362 nan 8.240 nan 0.000 0.435 236 L N 0.578 121.740 121.223 -0.100 0.000 2.083 236 L HA -0.016 4.324 4.340 0.000 0.000 0.209 236 L C 3.010 179.777 176.870 -0.173 0.000 1.083 236 L CA 1.301 56.084 54.840 -0.097 0.000 0.752 236 L CB -1.095 40.919 42.059 -0.074 0.000 0.899 236 L HN 0.364 nan 8.230 nan 0.000 0.433 237 G N 0.114 108.734 108.800 -0.300 0.000 2.446 237 G HA2 -0.275 3.685 3.960 0.000 0.000 0.217 237 G HA3 -0.275 3.685 3.960 0.000 0.000 0.217 237 G C 1.279 175.994 174.900 -0.309 0.000 1.168 237 G CA 0.626 45.516 45.100 -0.350 0.000 0.771 237 G HN 0.133 nan 8.290 nan 0.000 0.551 238 F N 1.558 121.357 119.950 -0.252 0.000 2.026 238 F HA 0.030 4.557 4.527 0.000 0.000 0.296 238 F C 3.018 178.553 175.800 -0.442 0.000 1.133 238 F CA 0.864 58.606 58.000 -0.430 0.000 1.188 238 F CB -1.219 37.259 39.000 -0.871 0.000 0.968 238 F HN 0.172 nan 8.300 nan 0.000 0.476 239 G N -0.521 108.055 108.800 -0.374 0.000 2.550 239 G HA2 -0.261 3.699 3.960 0.000 0.000 0.222 239 G HA3 -0.261 3.699 3.960 0.000 0.000 0.222 239 G C 1.793 176.671 174.900 -0.037 0.000 1.113 239 G CA 1.189 46.185 45.100 -0.172 0.000 0.748 239 G HN 0.538 nan 8.290 nan 0.000 0.585 240 A N -0.727 122.071 122.820 -0.037 0.000 2.016 240 A HA 0.165 4.485 4.320 0.000 0.000 0.217 240 A C 2.078 179.671 177.584 0.015 0.000 1.162 240 A CA 1.458 53.485 52.037 -0.017 0.000 0.662 240 A CB -0.347 18.630 19.000 -0.038 0.000 0.812 240 A HN 0.566 nan 8.150 nan 0.000 0.450 241 Y N -1.565 118.686 120.300 -0.081 0.000 2.389 241 Y HA 0.070 4.620 4.550 0.000 0.000 0.292 241 Y C 2.084 177.955 175.900 -0.049 0.000 1.117 241 Y CA 1.376 59.437 58.100 -0.064 0.000 1.195 241 Y CB -0.051 38.387 38.460 -0.036 0.000 1.076 241 Y HN 0.224 nan 8.280 nan 0.000 0.548 242 M N 0.557 120.295 119.600 0.230 0.000 2.117 242 M HA -0.194 4.286 4.480 0.000 0.000 0.262 242 M C 2.623 178.948 176.300 0.041 0.000 1.065 242 M CA 2.007 57.442 55.300 0.224 0.000 1.114 242 M CB -0.727 32.057 32.600 0.308 0.000 1.361 242 M HN 0.453 nan 8.290 nan 0.000 0.408 243 S N 0.204 115.909 115.700 0.009 0.000 2.368 243 S HA -0.185 4.286 4.470 0.000 0.000 0.224 243 S C 1.771 176.319 174.600 -0.088 0.000 1.029 243 S CA 1.515 59.706 58.200 -0.014 0.000 0.988 243 S CB -0.539 62.661 63.200 0.000 0.000 0.838 243 S HN 0.594 nan 8.310 nan 0.000 0.462 244 K N 0.659 120.963 120.400 -0.160 0.000 2.444 244 K HA 0.554 4.874 4.320 0.000 0.000 0.193 244 K C 1.138 177.541 176.600 -0.328 0.000 1.024 244 K CA 0.653 56.821 56.287 -0.198 0.000 1.077 244 K CB 0.182 32.580 32.500 -0.170 0.000 0.833 244 K HN 0.390 nan 8.250 nan 0.000 0.517 245 A N -0.474 122.058 122.820 -0.479 0.000 2.010 245 A HA 0.231 4.551 4.320 0.000 0.000 0.193 245 A C 0.962 178.245 177.584 -0.502 0.000 1.659 245 A CA -0.173 51.457 52.037 -0.677 0.000 1.175 245 A CB -0.005 18.090 19.000 -1.509 0.000 1.301 245 A HN 0.416 nan 8.150 nan 0.000 0.448 246 H N -1.792 117.195 119.070 -0.139 0.000 2.893 246 H HA 0.397 4.953 4.556 0.000 0.000 0.270 246 H C 1.412 176.736 175.328 -0.008 0.000 1.095 246 H CA 0.620 56.654 56.048 -0.023 0.000 1.186 246 H CB 1.189 30.991 29.762 0.067 0.000 1.562 246 H HN 0.622 nan 8.280 nan 0.000 0.536 247 G N 0.435 109.275 108.800 0.066 0.000 3.180 247 G HA2 -0.157 3.804 3.960 0.000 0.000 0.197 247 G HA3 -0.157 3.804 3.960 0.000 0.000 0.197 247 G C -0.360 174.565 174.900 0.042 0.000 1.149 247 G CA -0.202 44.926 45.100 0.047 0.000 0.847 247 G HN 0.057 nan 8.290 nan 0.000 0.469 248 I N 1.377 121.988 120.570 0.068 0.000 2.892 248 I HA 0.521 4.691 4.170 0.000 0.000 0.306 248 I C -1.266 174.897 176.117 0.076 0.000 1.078 248 I CA -0.975 60.362 61.300 0.062 0.000 1.032 248 I CB 2.057 40.098 38.000 0.069 0.000 1.229 248 I HN -0.065 nan 8.210 nan 0.000 0.435 249 D N 5.418 125.856 120.400 0.063 0.000 2.365 249 D HA 0.254 4.894 4.640 0.000 0.000 0.237 249 D C -2.203 174.156 176.300 0.099 0.000 1.190 249 D CA -1.112 52.930 54.000 0.069 0.000 0.867 249 D CB 0.848 41.676 40.800 0.046 0.000 1.050 249 D HN 0.138 nan 8.370 nan 0.000 0.491 250 P HA 0.033 nan 4.420 nan 0.000 0.280 250 P C -0.503 176.892 177.300 0.157 0.000 1.278 250 P CA -0.381 62.835 63.100 0.193 0.000 0.787 250 P CB 0.684 32.591 31.700 0.345 0.000 1.163 251 N N -0.609 118.191 118.700 0.167 0.000 2.524 251 N HA 0.387 5.127 4.740 0.000 0.000 0.283 251 N C -0.608 175.004 175.510 0.169 0.000 1.142 251 N CA -0.264 52.871 53.050 0.142 0.000 0.984 251 N CB 0.269 38.836 38.487 0.133 0.000 1.155 251 N HN 0.210 nan 8.380 nan 0.000 0.467 252 I N 1.401 122.049 120.570 0.130 0.000 2.447 252 I HA 0.344 4.514 4.170 0.000 0.000 0.287 252 I C -0.333 175.843 176.117 0.098 0.000 1.023 252 I CA -0.520 60.857 61.300 0.128 0.000 1.083 252 I CB 1.312 39.368 38.000 0.093 0.000 1.245 252 I HN 0.451 nan 8.210 nan 0.000 0.434 253 R N 4.237 124.796 120.500 0.098 0.000 2.422 253 R HA 0.655 4.995 4.340 0.000 0.000 0.307 253 R C -0.608 175.731 176.300 0.064 0.000 1.004 253 R CA -0.475 55.672 56.100 0.078 0.000 0.882 253 R CB 2.274 32.624 30.300 0.084 0.000 1.164 253 R HN 0.797 nan 8.270 nan 0.000 0.489 254 T N -2.414 112.173 114.554 0.054 0.000 2.868 254 T HA 0.309 4.659 4.350 0.000 0.000 0.306 254 T C 1.037 175.761 174.700 0.039 0.000 1.224 254 T CA -0.590 61.535 62.100 0.041 0.000 1.012 254 T CB 1.822 70.710 68.868 0.033 0.000 1.221 254 T HN 0.412 nan 8.240 nan 0.000 0.499 255 G N 0.111 108.929 108.800 0.031 0.000 2.450 255 G HA2 -0.097 3.863 3.960 0.000 0.000 0.220 255 G HA3 -0.097 3.863 3.960 0.000 0.000 0.220 255 G C 1.253 176.174 174.900 0.036 0.000 1.130 255 G CA 0.984 46.105 45.100 0.034 0.000 0.760 255 G HN 0.643 nan 8.290 nan 0.000 0.557 256 V N -0.426 119.505 119.914 0.030 0.000 2.535 256 V HA 0.255 4.375 4.120 0.000 0.000 0.246 256 V C 1.194 177.306 176.094 0.030 0.000 1.045 256 V CA 0.951 63.269 62.300 0.030 0.000 1.058 256 V CB -0.036 31.802 31.823 0.025 0.000 0.689 256 V HN 0.345 nan 8.190 nan 0.000 0.461 257 R N -0.227 120.291 120.500 0.031 0.000 2.512 257 R HA 0.380 4.720 4.340 0.000 0.000 0.291 257 R C -1.509 174.815 176.300 0.040 0.000 1.097 257 R CA -0.214 55.905 56.100 0.031 0.000 0.940 257 R CB 1.823 32.137 30.300 0.023 0.000 1.198 257 R HN 0.201 nan 8.270 nan 0.000 0.429 258 T N 5.809 120.389 114.554 0.042 0.000 2.807 258 T HA 0.552 4.902 4.350 0.000 0.000 0.279 258 T C -0.382 174.347 174.700 0.048 0.000 0.993 258 T CA -0.401 61.729 62.100 0.050 0.000 0.970 258 T CB 0.979 69.877 68.868 0.050 0.000 0.950 258 T HN 0.442 nan 8.240 nan 0.000 0.441 259 I N 2.659 123.263 120.570 0.056 0.000 2.534 259 I HA 0.269 4.439 4.170 0.000 0.000 0.286 259 I C -0.276 175.879 176.117 0.062 0.000 1.094 259 I CA -0.721 60.611 61.300 0.053 0.000 1.055 259 I CB 2.277 40.308 38.000 0.051 0.000 1.225 259 I HN 0.489 nan 8.210 nan 0.000 0.435 260 T N 2.988 117.573 114.554 0.053 0.000 2.743 260 T HA 0.238 4.588 4.350 0.000 0.000 0.292 260 T C 0.964 175.692 174.700 0.047 0.000 0.972 260 T CA -0.414 61.719 62.100 0.054 0.000 0.967 260 T CB 1.177 70.072 68.868 0.044 0.000 0.926 260 T HN 0.819 nan 8.240 nan 0.000 0.459 261 T N -0.406 114.180 114.554 0.055 0.000 2.978 261 T HA 0.403 4.754 4.350 0.000 0.000 0.248 261 T C 1.698 176.422 174.700 0.040 0.000 1.018 261 T CA 0.660 62.788 62.100 0.047 0.000 1.026 261 T CB 0.089 68.990 68.868 0.055 0.000 1.032 261 T HN 0.928 nan 8.240 nan 0.000 0.485 262 G N 1.367 110.192 108.800 0.043 0.000 2.163 262 G HA2 0.090 4.050 3.960 0.000 0.000 0.213 262 G HA3 0.090 4.050 3.960 0.000 0.000 0.213 262 G C 0.342 175.263 174.900 0.035 0.000 0.991 262 G CA -0.046 45.072 45.100 0.029 0.000 0.653 262 G HN 1.100 nan 8.290 nan 0.000 0.518 263 A N 0.542 123.396 122.820 0.057 0.000 2.327 263 A HA 0.712 5.032 4.320 0.000 0.000 0.255 263 A C -0.265 177.361 177.584 0.071 0.000 1.099 263 A CA -0.153 51.925 52.037 0.068 0.000 0.801 263 A CB 0.488 19.545 19.000 0.095 0.000 1.062 263 A HN 0.181 nan 8.150 nan 0.000 0.496 264 P HA 0.193 nan 4.420 nan 0.000 0.262 264 P C -0.658 176.717 177.300 0.125 0.000 1.304 264 P CA 0.299 63.447 63.100 0.080 0.000 0.859 264 P CB 0.131 31.870 31.700 0.065 0.000 1.310 265 V N -0.068 119.921 119.914 0.125 0.000 2.444 265 V HA 0.377 4.497 4.120 0.000 0.000 0.294 265 V C -0.053 176.107 176.094 0.109 0.000 1.022 265 V CA -0.181 62.175 62.300 0.093 0.000 0.850 265 V CB 1.830 33.718 31.823 0.108 0.000 0.992 265 V HN -0.130 nan 8.190 nan 0.000 0.426 266 T N 4.558 119.130 114.554 0.029 0.000 2.792 266 T HA 0.588 4.938 4.350 0.000 0.000 0.280 266 T C -1.002 173.604 174.700 -0.157 0.000 0.990 266 T CA -0.245 61.886 62.100 0.052 0.000 0.960 266 T CB 0.797 69.751 68.868 0.142 0.000 0.939 266 T HN 0.441 nan 8.240 nan 0.000 0.439 267 Y N 1.640 121.948 120.300 0.014 0.000 2.335 267 Y HA 0.567 5.117 4.550 0.000 0.000 0.339 267 Y C 0.799 176.689 175.900 -0.017 0.000 0.987 267 Y CA -0.181 57.917 58.100 -0.004 0.000 1.140 267 Y CB 1.605 40.118 38.460 0.088 0.000 1.173 267 Y HN 0.547 nan 8.280 nan 0.000 0.486 268 S N 1.406 117.107 115.700 0.002 0.000 2.667 268 S HA 0.578 5.048 4.470 0.000 0.000 0.292 268 S C -0.686 173.856 174.600 -0.097 0.000 1.126 268 S CA -0.542 57.641 58.200 -0.028 0.000 0.881 268 S CB 1.707 64.868 63.200 -0.066 0.000 1.132 268 S HN 0.545 nan 8.310 nan 0.000 0.492 269 T N 1.705 116.220 114.554 -0.064 0.000 2.902 269 T HA 0.435 4.785 4.350 0.000 0.000 0.283 269 T C 0.341 174.973 174.700 -0.113 0.000 1.009 269 T CA -0.160 61.899 62.100 -0.069 0.000 1.051 269 T CB 0.434 69.310 68.868 0.013 0.000 0.999 269 T HN 0.582 nan 8.240 nan 0.000 0.474 270 Y N 2.155 122.437 120.300 -0.032 0.000 2.165 270 Y HA -0.040 4.510 4.550 0.000 0.000 0.286 270 Y C 2.536 178.444 175.900 0.012 0.000 1.155 270 Y CA 1.683 59.762 58.100 -0.034 0.000 1.164 270 Y CB -0.662 37.752 38.460 -0.076 0.000 0.978 270 Y HN 0.821 nan 8.280 nan 0.000 0.513 271 G N -0.299 108.575 108.800 0.124 0.000 2.446 271 G HA2 -0.274 3.686 3.960 0.000 0.000 0.217 271 G HA3 -0.274 3.686 3.960 0.000 0.000 0.217 271 G C 1.834 176.770 174.900 0.061 0.000 1.168 271 G CA 1.067 46.207 45.100 0.066 0.000 0.771 271 G HN 0.121 nan 8.290 nan 0.000 0.551 272 K N 0.232 120.670 120.400 0.064 0.000 2.097 272 K HA 0.016 4.337 4.320 0.000 0.000 0.205 272 K C 2.083 178.731 176.600 0.080 0.000 1.050 272 K CA 0.489 56.817 56.287 0.068 0.000 0.938 272 K CB -0.756 31.781 32.500 0.062 0.000 0.718 272 K HN 0.326 nan 8.250 nan 0.000 0.442 273 F N 1.391 121.289 119.950 -0.086 0.000 2.095 273 F HA -0.198 4.329 4.527 0.000 0.000 0.298 273 F C 1.850 177.571 175.800 -0.131 0.000 1.104 273 F CA 1.401 59.338 58.000 -0.105 0.000 1.232 273 F CB -0.306 38.609 39.000 -0.142 0.000 0.987 273 F HN -0.061 nan 8.300 nan 0.000 0.475 274 L N 0.074 121.214 121.223 -0.139 0.000 2.017 274 L HA -0.216 4.124 4.340 0.000 0.000 0.208 274 L C 2.856 179.508 176.870 -0.363 0.000 1.073 274 L CA 1.324 55.858 54.840 -0.509 0.000 0.745 274 L CB -1.249 40.179 42.059 -1.052 0.000 0.894 274 L HN 0.257 nan 8.230 nan 0.000 0.432 275 A N -0.531 122.236 122.820 -0.088 0.000 1.978 275 A HA -0.242 4.078 4.320 0.000 0.000 0.220 275 A C 1.831 179.427 177.584 0.019 0.000 1.170 275 A CA 2.017 54.127 52.037 0.121 0.000 0.636 275 A CB -0.492 18.608 19.000 0.167 0.000 0.810 275 A HN 0.402 nan 8.150 nan 0.000 0.448 276 D N -1.660 118.700 120.400 -0.068 0.000 2.363 276 D HA 0.206 4.846 4.640 0.000 0.000 0.220 276 D C 1.430 177.642 176.300 -0.148 0.000 0.994 276 D CA 1.201 55.153 54.000 -0.080 0.000 0.890 276 D CB 0.166 40.928 40.800 -0.064 0.000 0.906 276 D HN 0.637 nan 8.370 nan 0.000 0.530 277 G N -0.319 108.345 108.800 -0.227 0.000 2.179 277 G HA2 -0.092 3.868 3.960 0.000 0.000 0.220 277 G HA3 -0.092 3.868 3.960 0.000 0.000 0.220 277 G C 0.845 175.515 174.900 -0.383 0.000 0.990 277 G CA 0.117 45.080 45.100 -0.229 0.000 0.646 277 G HN 0.814 nan 8.290 nan 0.000 0.517 278 G N -1.414 106.947 108.800 -0.731 0.000 2.475 278 G HA2 0.054 4.014 3.960 0.000 0.000 0.223 278 G HA3 0.054 4.014 3.960 0.000 0.000 0.223 278 G C 0.355 174.829 174.900 -0.710 0.000 1.201 278 G CA 0.220 44.629 45.100 -1.151 0.000 0.962 278 G HN 1.536 nan 8.290 nan 0.000 0.586 279 C N 2.064 121.228 119.300 -0.226 0.000 2.576 279 C HA 0.610 5.070 4.460 0.000 0.000 0.401 279 C C 1.155 176.156 174.990 0.018 0.000 1.314 279 C CA 0.297 59.357 59.018 0.071 0.000 1.855 279 C CB -0.366 27.453 27.740 0.131 0.000 2.537 279 C HN 1.007 nan 8.230 nan 0.000 0.578 280 S N 2.529 118.274 115.700 0.075 0.000 2.457 280 S HA 0.547 5.017 4.470 0.000 0.000 0.289 280 S C 0.354 174.967 174.600 0.022 0.000 1.163 280 S CA -0.477 57.739 58.200 0.027 0.000 1.078 280 S CB 1.115 64.333 63.200 0.029 0.000 0.987 280 S HN 1.086 nan 8.310 nan 0.000 0.482 281 G N 1.159 109.955 108.800 -0.006 0.000 2.224 281 G HA2 0.382 4.342 3.960 0.000 0.000 0.239 281 G HA3 0.382 4.342 3.960 0.000 0.000 0.239 281 G C 1.195 176.078 174.900 -0.028 0.000 1.240 281 G CA -0.154 44.937 45.100 -0.015 0.000 0.896 281 G HN 1.982 nan 8.290 nan 0.000 0.496 282 G N 0.910 109.696 108.800 -0.024 0.000 2.233 282 G HA2 -0.003 3.957 3.960 0.000 0.000 0.270 282 G HA3 -0.003 3.957 3.960 0.000 0.000 0.270 282 G C 1.188 176.031 174.900 -0.095 0.000 1.011 282 G CA 1.132 46.209 45.100 -0.040 0.000 0.762 282 G HN 1.733 nan 8.290 nan 0.000 0.511 283 A N -1.545 121.194 122.820 -0.134 0.000 1.984 283 A HA 0.607 4.927 4.320 0.000 0.000 0.214 283 A C 0.696 177.859 177.584 -0.702 0.000 1.173 283 A CA 1.222 53.014 52.037 -0.408 0.000 0.673 283 A CB 0.270 19.022 19.000 -0.413 0.000 0.830 283 A HN 0.788 nan 8.150 nan 0.000 0.453 284 Y N -1.374 118.929 120.300 0.006 0.000 2.553 284 Y HA 0.405 4.955 4.550 0.000 0.000 0.347 284 Y C 0.062 175.961 175.900 -0.002 0.000 1.019 284 Y CA -1.171 56.926 58.100 -0.004 0.000 1.032 284 Y CB 1.454 39.896 38.460 -0.030 0.000 1.284 284 Y HN 0.069 nan 8.280 nan 0.000 0.466 285 D N 0.961 121.456 120.400 0.158 0.000 2.338 285 D HA 0.193 4.833 4.640 0.000 0.000 0.208 285 D C 0.015 176.291 176.300 -0.040 0.000 0.997 285 D CA 1.103 55.151 54.000 0.079 0.000 0.880 285 D CB 1.274 42.166 40.800 0.154 0.000 0.980 285 D HN 0.339 nan 8.370 nan 0.000 0.509 286 I N 1.319 121.844 120.570 -0.075 0.000 2.533 286 I HA 0.340 4.510 4.170 0.000 0.000 0.290 286 I C -0.737 175.250 176.117 -0.217 0.000 1.056 286 I CA -0.697 60.463 61.300 -0.233 0.000 1.057 286 I CB 2.842 40.550 38.000 -0.487 0.000 1.240 286 I HN -0.344 nan 8.210 nan 0.000 0.423 287 I N 6.688 127.121 120.570 -0.229 0.000 2.410 287 I HA 0.438 4.608 4.170 0.000 0.000 0.286 287 I C -0.565 175.380 176.117 -0.286 0.000 1.009 287 I CA -0.476 60.651 61.300 -0.288 0.000 1.111 287 I CB 1.860 39.716 38.000 -0.240 0.000 1.262 287 I HN 0.371 nan 8.210 nan 0.000 0.443 288 I N 5.684 126.060 120.570 -0.323 0.000 2.307 288 I HA 0.232 4.402 4.170 0.000 0.000 0.289 288 I C -0.274 175.692 176.117 -0.252 0.000 1.021 288 I CA -0.351 60.793 61.300 -0.259 0.000 1.224 288 I CB 1.220 39.076 38.000 -0.241 0.000 1.376 288 I HN 0.590 nan 8.210 nan 0.000 0.470 289 C N 4.982 124.190 119.300 -0.153 0.000 2.183 289 C HA 0.180 4.640 4.460 0.000 0.000 0.409 289 C C 0.677 175.694 174.990 0.045 0.000 1.022 289 C CA -0.665 58.336 59.018 -0.028 0.000 1.367 289 C CB -1.516 26.256 27.740 0.054 0.000 1.650 289 C HN 0.599 nan 8.230 nan 0.000 0.499 290 D N 1.947 122.347 120.400 -0.000 0.000 2.382 290 D HA 0.018 4.658 4.640 0.000 0.000 0.240 290 D C 0.772 177.131 176.300 0.099 0.000 1.146 290 D CA 0.822 54.844 54.000 0.036 0.000 0.897 290 D CB 0.664 41.460 40.800 -0.007 0.000 1.197 290 D HN 0.549 nan 8.370 nan 0.000 0.432 291 E N 0.920 121.157 120.200 0.061 0.000 2.360 291 E HA -0.222 4.128 4.350 0.000 0.000 0.238 291 E C 1.310 177.687 176.600 -0.371 0.000 1.186 291 E CA 0.674 56.999 56.400 -0.124 0.000 0.719 291 E CB -2.473 27.186 29.700 -0.069 0.000 1.236 291 E HN 0.571 nan 8.360 nan 0.000 0.386 292 C N -1.636 117.582 119.300 -0.138 0.000 2.485 292 C HA 0.010 4.470 4.460 0.000 0.000 0.283 292 C C 2.074 176.985 174.990 -0.131 0.000 1.478 292 C CA 0.733 59.681 59.018 -0.116 0.000 1.741 292 C CB -1.508 26.237 27.740 0.007 0.000 1.675 292 C HN 0.603 nan 8.230 nan 0.000 0.573 293 H N 0.774 119.850 119.070 0.010 0.000 2.535 293 H HA 0.163 4.719 4.556 0.000 0.000 0.273 293 H C 1.225 176.552 175.328 -0.002 0.000 0.983 293 H CA 0.581 56.632 56.048 0.005 0.000 1.238 293 H CB -0.841 28.913 29.762 -0.013 0.000 1.412 293 H HN 0.444 nan 8.280 nan 0.000 0.562 294 S N 1.424 116.831 115.700 -0.488 0.000 2.515 294 S HA -0.002 4.468 4.470 0.000 0.000 0.285 294 S C 1.111 175.586 174.600 -0.209 0.000 1.265 294 S CA -0.008 58.032 58.200 -0.266 0.000 1.079 294 S CB 0.141 63.127 63.200 -0.356 0.000 0.877 294 S HN 0.621 nan 8.310 nan 0.000 0.493 295 T N 1.131 115.589 114.554 -0.161 0.000 3.244 295 T HA 0.149 4.499 4.350 0.000 0.000 0.254 295 T C 0.321 174.788 174.700 -0.390 0.000 1.024 295 T CA -0.556 61.340 62.100 -0.339 0.000 0.920 295 T CB -0.586 68.131 68.868 -0.253 0.000 1.042 295 T HN 0.798 nan 8.240 nan 0.000 0.572 296 D N 1.362 121.588 120.400 -0.289 0.000 2.344 296 D HA 0.051 4.691 4.640 0.000 0.000 0.244 296 D C 1.364 177.456 176.300 -0.346 0.000 1.134 296 D CA 0.061 53.904 54.000 -0.262 0.000 0.930 296 D CB 1.594 42.288 40.800 -0.178 0.000 1.175 296 D HN 0.266 nan 8.370 nan 0.000 0.437 297 S N 1.344 116.860 115.700 -0.306 0.000 2.382 297 S HA -0.200 4.270 4.470 0.000 0.000 0.228 297 S C 1.766 176.206 174.600 -0.266 0.000 1.027 297 S CA 1.454 59.464 58.200 -0.315 0.000 0.991 297 S CB -0.771 62.272 63.200 -0.262 0.000 0.823 297 S HN 0.620 nan 8.310 nan 0.000 0.469 298 T N 1.629 116.064 114.554 -0.199 0.000 2.951 298 T HA -0.002 4.348 4.350 0.000 0.000 0.268 298 T C 1.827 176.399 174.700 -0.213 0.000 1.073 298 T CA 1.680 63.703 62.100 -0.128 0.000 1.134 298 T CB -0.641 68.194 68.868 -0.056 0.000 0.884 298 T HN 0.599 nan 8.240 nan 0.000 0.479 299 T N 1.736 116.066 114.554 -0.374 0.000 2.851 299 T HA 0.130 4.480 4.350 0.000 0.000 0.262 299 T C 1.939 176.292 174.700 -0.578 0.000 1.043 299 T CA 0.648 62.301 62.100 -0.745 0.000 1.140 299 T CB -0.234 68.191 68.868 -0.739 0.000 0.872 299 T HN 0.282 nan 8.240 nan 0.000 0.446 300 I N 0.797 121.071 120.570 -0.492 0.000 2.226 300 I HA -0.130 4.040 4.170 0.000 0.000 0.245 300 I C 2.227 178.109 176.117 -0.393 0.000 1.100 300 I CA 0.821 61.764 61.300 -0.596 0.000 1.374 300 I CB -0.251 37.212 38.000 -0.895 0.000 1.057 300 I HN 0.153 nan 8.210 nan 0.000 0.413 301 L N 0.902 121.936 121.223 -0.314 0.000 2.093 301 L HA -0.039 4.301 4.340 0.000 0.000 0.208 301 L C 2.314 179.132 176.870 -0.088 0.000 1.085 301 L CA 2.044 56.763 54.840 -0.202 0.000 0.755 301 L CB -1.408 40.541 42.059 -0.183 0.000 0.904 301 L HN 0.209 nan 8.230 nan 0.000 0.435 302 G N -0.042 108.718 108.800 -0.067 0.000 2.459 302 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 302 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 302 G C 1.612 176.621 174.900 0.183 0.000 1.183 302 G CA 1.194 46.391 45.100 0.161 0.000 0.776 302 G HN 0.446 nan 8.290 nan 0.000 0.552 303 I N 1.284 121.889 120.570 0.059 0.000 2.315 303 I HA -0.072 4.098 4.170 0.000 0.000 0.248 303 I C 3.071 179.295 176.117 0.178 0.000 1.117 303 I CA 1.041 62.416 61.300 0.126 0.000 1.404 303 I CB -0.748 37.329 38.000 0.128 0.000 1.071 303 I HN 0.268 nan 8.210 nan 0.000 0.419 304 G N 0.520 109.452 108.800 0.220 0.000 2.432 304 G HA2 -0.196 3.764 3.960 0.000 0.000 0.219 304 G HA3 -0.196 3.764 3.960 0.000 0.000 0.219 304 G C 1.658 176.629 174.900 0.118 0.000 1.135 304 G CA 1.222 46.441 45.100 0.197 0.000 0.767 304 G HN 0.282 nan 8.290 nan 0.000 0.550 305 T N 0.637 115.263 114.554 0.121 0.000 2.812 305 T HA -0.066 4.284 4.350 0.000 0.000 0.264 305 T C 2.567 177.383 174.700 0.193 0.000 1.042 305 T CA 1.031 63.210 62.100 0.131 0.000 1.140 305 T CB -0.179 68.777 68.868 0.146 0.000 0.870 305 T HN 0.059 nan 8.240 nan 0.000 0.445 306 V N 1.846 121.906 119.914 0.243 0.000 2.255 306 V HA -0.148 3.972 4.120 0.000 0.000 0.247 306 V C 2.513 178.672 176.094 0.108 0.000 1.051 306 V CA 1.610 64.011 62.300 0.169 0.000 1.018 306 V CB -0.724 31.110 31.823 0.017 0.000 0.641 306 V HN 0.448 nan 8.190 nan 0.000 0.445 307 L N 0.138 121.423 121.223 0.103 0.000 2.127 307 L HA -0.230 4.110 4.340 0.000 0.000 0.211 307 L C 2.243 179.150 176.870 0.061 0.000 1.089 307 L CA 2.152 57.055 54.840 0.105 0.000 0.757 307 L CB -0.627 41.482 42.059 0.083 0.000 0.899 307 L HN 0.454 nan 8.230 nan 0.000 0.434 308 D N -1.062 119.367 120.400 0.048 0.000 2.323 308 D HA -0.120 4.520 4.640 0.000 0.000 0.209 308 D C 1.953 178.232 176.300 -0.035 0.000 0.973 308 D CA 0.774 54.780 54.000 0.010 0.000 0.874 308 D CB 0.347 41.158 40.800 0.018 0.000 0.930 308 D HN 0.326 nan 8.370 nan 0.000 0.521 309 Q N -1.081 118.702 119.800 -0.029 0.000 2.245 309 Q HA 0.359 4.700 4.340 0.000 0.000 0.250 309 Q C 1.817 177.751 176.000 -0.110 0.000 0.830 309 Q CA 0.306 56.074 55.803 -0.059 0.000 0.950 309 Q CB 0.699 29.432 28.738 -0.009 0.000 1.124 309 Q HN 0.199 nan 8.270 nan 0.000 0.502 310 A N 1.815 124.555 122.820 -0.133 0.000 1.865 310 A HA -0.278 4.042 4.320 0.000 0.000 0.217 310 A C 1.920 179.241 177.584 -0.438 0.000 1.191 310 A CA 1.828 53.761 52.037 -0.173 0.000 0.623 310 A CB -0.416 18.581 19.000 -0.004 0.000 0.826 310 A HN 0.369 nan 8.150 nan 0.000 0.444 311 E N -1.031 118.589 120.200 -0.967 0.000 2.038 311 E HA -0.167 4.184 4.350 0.000 0.000 0.195 311 E C 1.892 178.267 176.600 -0.375 0.000 1.000 311 E CA 1.726 57.557 56.400 -0.949 0.000 0.803 311 E CB -0.158 28.883 29.700 -1.098 0.000 0.750 311 E HN 0.566 nan 8.360 nan 0.000 0.448 312 T N 0.132 114.523 114.554 -0.273 0.000 3.007 312 T HA -0.018 4.333 4.350 0.000 0.000 0.270 312 T C 1.363 176.002 174.700 -0.102 0.000 1.107 312 T CA 0.840 62.852 62.100 -0.147 0.000 1.118 312 T CB 0.014 68.817 68.868 -0.108 0.000 0.889 312 T HN 0.213 nan 8.240 nan 0.000 0.506 313 A N 0.272 123.031 122.820 -0.103 0.000 2.275 313 A HA 0.573 4.893 4.320 0.000 0.000 0.212 313 A C 1.873 179.441 177.584 -0.026 0.000 1.201 313 A CA 0.574 52.586 52.037 -0.042 0.000 0.843 313 A CB -0.460 18.539 19.000 -0.002 0.000 0.873 313 A HN 0.606 nan 8.150 nan 0.000 0.492 314 G N -1.874 106.895 108.800 -0.051 0.000 2.157 314 G HA2 0.100 4.060 3.960 0.000 0.000 0.239 314 G HA3 0.100 4.060 3.960 0.000 0.000 0.239 314 G C 0.478 175.393 174.900 0.024 0.000 0.982 314 G CA 0.227 45.318 45.100 -0.015 0.000 0.650 314 G HN 1.527 nan 8.290 nan 0.000 0.527 315 A N -0.432 122.406 122.820 0.030 0.000 2.366 315 A HA 0.762 5.082 4.320 0.000 0.000 0.249 315 A C 1.219 178.927 177.584 0.206 0.000 1.084 315 A CA 0.838 52.942 52.037 0.112 0.000 0.794 315 A CB 0.360 19.446 19.000 0.143 0.000 1.034 315 A HN 0.409 nan 8.150 nan 0.000 0.491 316 R N -0.974 119.611 120.500 0.143 0.000 2.344 316 R HA 0.308 4.648 4.340 0.000 0.000 0.209 316 R C -0.884 175.402 176.300 -0.024 0.000 0.886 316 R CA 0.117 56.280 56.100 0.104 0.000 1.040 316 R CB 0.351 30.652 30.300 0.002 0.000 1.114 316 R HN 0.578 nan 8.270 nan 0.000 0.547 317 L N 0.124 121.300 121.223 -0.078 0.000 2.482 317 L HA 0.449 4.789 4.340 0.000 0.000 0.263 317 L C -1.700 175.046 176.870 -0.208 0.000 0.957 317 L CA -0.773 53.912 54.840 -0.258 0.000 0.836 317 L CB 2.494 44.344 42.059 -0.349 0.000 1.324 317 L HN -0.336 nan 8.230 nan 0.000 0.406 318 V N 5.017 124.759 119.914 -0.287 0.000 2.483 318 V HA 0.576 4.696 4.120 0.000 0.000 0.297 318 V C -0.775 175.163 176.094 -0.260 0.000 1.027 318 V CA -0.628 61.551 62.300 -0.202 0.000 0.855 318 V CB 2.033 33.798 31.823 -0.096 0.000 0.995 318 V HN 0.515 nan 8.190 nan 0.000 0.424 319 V N 6.688 126.465 119.914 -0.228 0.000 2.370 319 V HA 0.447 4.567 4.120 0.000 0.000 0.283 319 V C -0.129 175.872 176.094 -0.155 0.000 1.023 319 V CA -0.495 61.684 62.300 -0.201 0.000 0.857 319 V CB 1.625 33.352 31.823 -0.159 0.000 0.985 319 V HN 0.637 nan 8.190 nan 0.000 0.443 320 L N 5.187 126.312 121.223 -0.164 0.000 2.259 320 L HA 0.703 5.043 4.340 0.000 0.000 0.288 320 L C 0.467 177.366 176.870 0.049 0.000 1.051 320 L CA -0.088 54.711 54.840 -0.067 0.000 0.824 320 L CB 0.992 42.989 42.059 -0.103 0.000 1.206 320 L HN 0.735 nan 8.230 nan 0.000 0.429 321 A N 2.717 125.569 122.820 0.054 0.000 2.330 321 A HA 0.831 5.152 4.320 0.000 0.000 0.327 321 A C -0.235 177.434 177.584 0.141 0.000 1.155 321 A CA -0.416 51.684 52.037 0.104 0.000 0.803 321 A CB 1.757 20.784 19.000 0.046 0.000 1.208 321 A HN 0.528 nan 8.150 nan 0.000 0.477 322 T N -0.014 114.653 114.554 0.189 0.000 2.886 322 T HA 0.508 4.858 4.350 0.000 0.000 0.330 322 T C 0.407 175.177 174.700 0.116 0.000 1.488 322 T CA 0.418 62.643 62.100 0.208 0.000 1.054 322 T CB 1.224 70.250 68.868 0.263 0.000 1.348 322 T HN 1.475 nan 8.240 nan 0.000 0.489 323 A N 1.784 124.645 122.820 0.068 0.000 2.178 323 A HA 0.360 4.680 4.320 0.000 0.000 0.211 323 A C 1.059 178.594 177.584 -0.082 0.000 1.157 323 A CA 1.125 53.163 52.037 0.001 0.000 0.780 323 A CB -0.187 18.810 19.000 -0.005 0.000 0.828 323 A HN 1.197 nan 8.150 nan 0.000 0.476 324 T N -0.916 113.550 114.554 -0.147 0.000 3.209 324 T HA 0.502 4.852 4.350 0.000 0.000 0.366 324 T C -3.105 171.489 174.700 -0.178 0.000 1.293 324 T CA -1.917 60.068 62.100 -0.192 0.000 1.417 324 T CB 1.563 70.272 68.868 -0.265 0.000 1.013 324 T HN 0.047 nan 8.240 nan 0.000 0.572 325 P HA 0.362 nan 4.420 nan 0.000 0.274 325 P C -2.771 174.422 177.300 -0.179 0.000 1.256 325 P CA -1.812 61.098 63.100 -0.316 0.000 0.795 325 P CB -0.496 30.747 31.700 -0.762 0.000 1.038 326 P HA 0.007 nan 4.420 nan 0.000 0.261 326 P C 1.047 178.243 177.300 -0.172 0.000 1.173 326 P CA 1.791 64.818 63.100 -0.121 0.000 0.760 326 P CB -0.435 31.182 31.700 -0.139 0.000 0.783 327 G N 1.904 110.640 108.800 -0.108 0.000 2.176 327 G HA2 -0.248 3.712 3.960 0.000 0.000 0.253 327 G HA3 -0.248 3.712 3.960 0.000 0.000 0.253 327 G C 0.427 175.331 174.900 0.006 0.000 0.979 327 G CA 0.249 45.315 45.100 -0.056 0.000 0.641 327 G HN 0.780 nan 8.290 nan 0.000 0.530 328 S N -1.085 114.596 115.700 -0.031 0.000 2.589 328 S HA 0.678 5.148 4.470 0.000 0.000 0.265 328 S C 0.040 174.636 174.600 -0.007 0.000 1.342 328 S CA 0.094 58.271 58.200 -0.038 0.000 1.005 328 S CB 2.478 65.628 63.200 -0.083 0.000 0.909 328 S HN 1.392 nan 8.310 nan 0.000 0.555 329 V N 1.106 121.010 119.914 -0.016 0.000 2.733 329 V HA 0.388 4.508 4.120 0.000 0.000 0.306 329 V C -0.245 175.831 176.094 -0.029 0.000 1.084 329 V CA -0.622 61.672 62.300 -0.010 0.000 0.905 329 V CB 2.361 34.190 31.823 0.010 0.000 1.010 329 V HN 1.147 nan 8.190 nan 0.000 0.424 330 T N 5.702 120.230 114.554 -0.043 0.000 2.817 330 T HA 0.373 4.723 4.350 0.000 0.000 0.295 330 T C -0.063 174.609 174.700 -0.046 0.000 0.958 330 T CA 0.341 62.406 62.100 -0.060 0.000 1.157 330 T CB 0.469 69.283 68.868 -0.090 0.000 0.898 330 T HN 0.853 nan 8.240 nan 0.000 0.536 331 V N 2.452 122.343 119.914 -0.038 0.000 3.166 331 V HA 0.786 4.906 4.120 0.000 0.000 0.317 331 V C -2.615 173.471 176.094 -0.014 0.000 1.136 331 V CA -2.894 59.392 62.300 -0.023 0.000 1.035 331 V CB 0.556 32.369 31.823 -0.017 0.000 1.110 331 V HN 0.491 nan 8.190 nan 0.000 0.450 332 P HA 0.164 nan 4.420 nan 0.000 0.265 332 P C -0.948 176.381 177.300 0.047 0.000 1.187 332 P CA 0.520 63.637 63.100 0.028 0.000 0.766 332 P CB -0.066 31.649 31.700 0.025 0.000 0.820 333 H N 4.754 123.814 119.070 -0.017 0.000 2.587 333 H HA 0.191 4.747 4.556 0.000 0.000 0.325 333 H C -1.724 173.609 175.328 0.008 0.000 1.012 333 H CA -2.324 53.717 56.048 -0.012 0.000 1.213 333 H CB 1.651 31.396 29.762 -0.027 0.000 1.431 333 H HN 0.245 nan 8.280 nan 0.000 0.492 334 P HA -0.149 nan 4.420 nan 0.000 0.220 334 P C 0.804 178.226 177.300 0.203 0.000 1.144 334 P CA 0.921 64.097 63.100 0.127 0.000 0.800 334 P CB 0.679 32.397 31.700 0.031 0.000 0.772 335 N N -0.591 118.352 118.700 0.406 0.000 2.353 335 N HA 0.125 4.865 4.740 0.000 0.000 0.185 335 N C 0.511 176.065 175.510 0.074 0.000 1.098 335 N CA 0.206 53.383 53.050 0.211 0.000 0.872 335 N CB 0.224 38.844 38.487 0.223 0.000 0.970 335 N HN 0.255 nan 8.380 nan 0.000 0.467 336 I N 0.715 121.329 120.570 0.074 0.000 2.418 336 I HA 0.221 4.391 4.170 0.000 0.000 0.287 336 I C -0.081 176.096 176.117 0.101 0.000 1.008 336 I CA -0.758 60.559 61.300 0.029 0.000 1.104 336 I CB 1.948 39.892 38.000 -0.092 0.000 1.264 336 I HN -0.292 nan 8.210 nan 0.000 0.438 337 E N 6.244 126.513 120.200 0.116 0.000 2.194 337 E HA 0.237 4.587 4.350 0.000 0.000 0.284 337 E C -0.701 176.014 176.600 0.191 0.000 1.035 337 E CA -0.185 56.295 56.400 0.132 0.000 0.836 337 E CB 1.239 31.003 29.700 0.106 0.000 1.070 337 E HN 0.525 nan 8.360 nan 0.000 0.401 338 E N 2.017 122.352 120.200 0.225 0.000 2.134 338 E HA 0.349 4.699 4.350 0.000 0.000 0.278 338 E C -0.843 175.963 176.600 0.343 0.000 0.959 338 E CA -0.580 56.029 56.400 0.348 0.000 0.783 338 E CB 1.856 31.769 29.700 0.355 0.000 1.095 338 E HN 0.090 nan 8.360 nan 0.000 0.399 339 V N 2.384 122.469 119.914 0.286 0.000 2.483 339 V HA 0.382 4.503 4.120 0.000 0.000 0.297 339 V C -0.112 175.820 176.094 -0.270 0.000 1.027 339 V CA -0.905 61.450 62.300 0.092 0.000 0.855 339 V CB 1.697 33.529 31.823 0.014 0.000 0.995 339 V HN 0.797 nan 8.190 nan 0.000 0.424 340 A N 5.522 128.019 122.820 -0.537 0.000 2.451 340 A HA 0.543 4.863 4.320 0.000 0.000 0.266 340 A C -0.112 177.126 177.584 -0.575 0.000 1.119 340 A CA -0.147 51.184 52.037 -1.177 0.000 0.786 340 A CB -0.036 18.549 19.000 -0.691 0.000 1.061 340 A HN 0.659 nan 8.150 nan 0.000 0.503 341 L N 2.260 123.158 121.223 -0.541 0.000 2.473 341 L HA 0.299 4.639 4.340 0.000 0.000 0.265 341 L C 1.262 178.028 176.870 -0.173 0.000 1.243 341 L CA 1.126 55.814 54.840 -0.253 0.000 0.822 341 L CB 0.646 42.617 42.059 -0.146 0.000 1.101 341 L HN 1.022 nan 8.230 nan 0.000 0.507 342 S N 0.200 115.843 115.700 -0.095 0.000 2.851 342 S HA 0.441 4.911 4.470 0.000 0.000 0.313 342 S C 0.386 174.968 174.600 -0.028 0.000 1.163 342 S CA -0.492 57.672 58.200 -0.061 0.000 0.850 342 S CB 0.837 64.004 63.200 -0.055 0.000 1.245 342 S HN 0.501 nan 8.310 nan 0.000 0.558 343 N N 0.755 119.444 118.700 -0.019 0.000 2.422 343 N HA 0.115 4.856 4.740 0.000 0.000 0.181 343 N C 0.101 175.606 175.510 -0.008 0.000 1.080 343 N CA 0.820 53.865 53.050 -0.008 0.000 0.893 343 N CB 0.191 38.674 38.487 -0.007 0.000 0.973 343 N HN 0.799 nan 8.380 nan 0.000 0.456 344 T N -1.161 113.384 114.554 -0.016 0.000 2.780 344 T HA 0.700 5.050 4.350 0.000 0.000 0.294 344 T C 0.320 175.009 174.700 -0.018 0.000 0.949 344 T CA -0.404 61.687 62.100 -0.015 0.000 1.074 344 T CB 1.317 70.174 68.868 -0.018 0.000 0.910 344 T HN 0.142 nan 8.240 nan 0.000 0.501 345 G N 3.082 111.873 108.800 -0.015 0.000 2.339 345 G HA2 0.341 4.301 3.960 0.000 0.000 0.302 345 G HA3 0.341 4.301 3.960 0.000 0.000 0.302 345 G C -0.457 174.436 174.900 -0.011 0.000 1.425 345 G CA -0.581 44.508 45.100 -0.018 0.000 0.899 345 G HN 0.491 nan 8.290 nan 0.000 0.619 346 E N -0.552 119.638 120.200 -0.016 0.000 2.099 346 E HA 0.232 4.582 4.350 0.000 0.000 0.191 346 E C 0.940 177.539 176.600 -0.002 0.000 0.962 346 E CA 0.489 56.882 56.400 -0.011 0.000 0.826 346 E CB 0.221 29.911 29.700 -0.018 0.000 0.788 346 E HN 0.473 nan 8.360 nan 0.000 0.461 347 I N 3.230 123.799 120.570 -0.003 0.000 2.337 347 I HA 0.168 4.338 4.170 0.000 0.000 0.291 347 I C -2.324 173.831 176.117 0.063 0.000 1.046 347 I CA -2.312 58.999 61.300 0.019 0.000 1.324 347 I CB 0.867 38.864 38.000 -0.004 0.000 1.409 347 I HN -0.144 nan 8.210 nan 0.000 0.494 348 P HA 0.119 nan 4.420 nan 0.000 0.271 348 P C -0.907 176.506 177.300 0.189 0.000 1.220 348 P CA -0.006 63.144 63.100 0.083 0.000 0.768 348 P CB 0.317 32.030 31.700 0.022 0.000 0.848 349 F N 4.691 124.639 119.950 -0.003 0.000 2.745 349 F HA 0.298 4.825 4.527 0.000 0.000 0.343 349 F C -0.633 175.265 175.800 0.163 0.000 1.196 349 F CA -0.748 57.296 58.000 0.073 0.000 1.021 349 F CB 0.483 39.555 39.000 0.120 0.000 1.297 349 F HN 0.262 nan 8.300 nan 0.000 0.486 350 Y N 3.992 123.997 120.300 -0.492 0.000 3.037 350 Y HA -0.139 4.411 4.550 0.000 0.000 0.204 350 Y C 1.451 177.242 175.900 -0.181 0.000 1.275 350 Y CA 1.221 59.089 58.100 -0.387 0.000 1.066 350 Y CB -1.260 36.876 38.460 -0.540 0.000 1.305 350 Y HN 1.075 nan 8.280 nan 0.000 0.499 351 G N -1.713 107.051 108.800 -0.060 0.000 2.205 351 G HA2 -0.345 3.615 3.960 0.000 0.000 0.261 351 G HA3 -0.345 3.615 3.960 0.000 0.000 0.261 351 G C 0.480 175.387 174.900 0.011 0.000 0.980 351 G CA 0.742 45.830 45.100 -0.021 0.000 0.632 351 G HN 0.491 nan 8.290 nan 0.000 0.533 352 K N -0.192 120.236 120.400 0.046 0.000 2.270 352 K HA 0.974 5.294 4.320 0.000 0.000 0.248 352 K C 0.048 176.707 176.600 0.099 0.000 1.076 352 K CA 0.296 56.622 56.287 0.065 0.000 0.957 352 K CB 1.442 33.991 32.500 0.081 0.000 1.400 352 K HN 1.086 nan 8.250 nan 0.000 0.573 353 A N 0.074 122.949 122.820 0.092 0.000 2.606 353 A HA 0.727 5.047 4.320 0.000 0.000 0.293 353 A C -1.576 176.031 177.584 0.038 0.000 1.082 353 A CA -0.612 51.475 52.037 0.084 0.000 0.685 353 A CB 0.802 19.822 19.000 0.034 0.000 1.284 353 A HN 0.445 nan 8.150 nan 0.000 0.408 354 I N 1.594 122.166 120.570 0.003 0.000 2.436 354 I HA 0.411 4.581 4.170 0.000 0.000 0.289 354 I C -2.540 173.535 176.117 -0.071 0.000 1.010 354 I CA -2.144 59.111 61.300 -0.075 0.000 1.098 354 I CB 2.671 40.568 38.000 -0.171 0.000 1.266 354 I HN 0.298 nan 8.210 nan 0.000 0.434 355 P HA 0.220 nan 4.420 nan 0.000 0.280 355 P C 1.209 178.460 177.300 -0.081 0.000 1.300 355 P CA -0.390 62.672 63.100 -0.063 0.000 0.785 355 P CB 0.275 31.942 31.700 -0.055 0.000 0.874 356 I N 0.405 120.932 120.570 -0.071 0.000 2.450 356 I HA -0.319 3.851 4.170 0.000 0.000 0.260 356 I C 1.374 177.439 176.117 -0.086 0.000 1.145 356 I CA 1.553 62.805 61.300 -0.080 0.000 1.413 356 I CB -0.889 37.080 38.000 -0.053 0.000 1.090 356 I HN 0.270 nan 8.210 nan 0.000 0.445 357 E N 1.607 121.766 120.200 -0.069 0.000 2.153 357 E HA -0.156 4.194 4.350 0.000 0.000 0.194 357 E C 2.426 178.978 176.600 -0.081 0.000 0.988 357 E CA 1.507 57.873 56.400 -0.058 0.000 0.811 357 E CB -0.102 29.573 29.700 -0.040 0.000 0.746 357 E HN 0.697 nan 8.360 nan 0.000 0.466 358 A N 1.053 123.803 122.820 -0.116 0.000 2.015 358 A HA -0.118 4.202 4.320 0.000 0.000 0.219 358 A C 2.067 179.459 177.584 -0.320 0.000 1.163 358 A CA 1.293 53.234 52.037 -0.159 0.000 0.646 358 A CB -0.417 18.486 19.000 -0.162 0.000 0.806 358 A HN 0.347 nan 8.150 nan 0.000 0.448 359 I N -3.359 117.007 120.570 -0.340 0.000 4.147 359 I HA 0.212 4.382 4.170 0.000 0.000 0.329 359 I C 1.553 177.563 176.117 -0.179 0.000 1.424 359 I CA -0.080 60.912 61.300 -0.514 0.000 1.127 359 I CB 0.282 38.011 38.000 -0.452 0.000 1.128 359 I HN 0.090 nan 8.210 nan 0.000 0.417 360 R N 2.889 123.335 120.500 -0.089 0.000 2.097 360 R HA 0.109 4.449 4.340 0.000 0.000 0.236 360 R C 1.184 177.503 176.300 0.032 0.000 1.135 360 R CA 1.428 57.515 56.100 -0.021 0.000 0.934 360 R CB -1.730 28.560 30.300 -0.016 0.000 0.846 360 R HN 0.362 nan 8.270 nan 0.000 0.431 361 G N -1.412 107.428 108.800 0.067 0.000 2.441 361 G HA2 0.568 4.528 3.960 0.000 0.000 0.334 361 G HA3 0.568 4.528 3.960 0.000 0.000 0.334 361 G C -0.098 174.915 174.900 0.188 0.000 1.161 361 G CA -0.488 44.669 45.100 0.095 0.000 0.935 361 G HN 0.617 nan 8.290 nan 0.000 0.488 362 G N -0.044 108.824 108.800 0.113 0.000 2.548 362 G HA2 -0.068 3.892 3.960 0.000 0.000 0.208 362 G HA3 -0.068 3.892 3.960 0.000 0.000 0.208 362 G C -0.506 174.380 174.900 -0.022 0.000 1.308 362 G CA -0.643 44.483 45.100 0.043 0.000 0.924 362 G HN 0.802 nan 8.290 nan 0.000 0.540 363 R N 0.358 120.690 120.500 -0.279 0.000 2.494 363 R HA 0.684 5.024 4.340 0.000 0.000 0.305 363 R C -0.625 175.407 176.300 -0.446 0.000 0.959 363 R CA -0.817 55.178 56.100 -0.176 0.000 0.864 363 R CB 1.583 31.816 30.300 -0.112 0.000 1.159 363 R HN 0.676 nan 8.270 nan 0.000 0.446 364 H N 1.941 121.157 119.070 0.243 0.000 3.012 364 H HA 0.338 4.894 4.556 0.000 0.000 0.367 364 H C -1.433 173.727 175.328 -0.280 0.000 1.211 364 H CA -0.940 55.142 56.048 0.057 0.000 1.139 364 H CB 2.436 32.180 29.762 -0.030 0.000 1.838 364 H HN 0.191 nan 8.280 nan 0.000 0.550 365 L N 2.495 123.443 121.223 -0.458 0.000 2.356 365 L HA 0.506 4.847 4.340 0.000 0.000 0.277 365 L C -1.249 175.344 176.870 -0.461 0.000 0.996 365 L CA -0.384 53.985 54.840 -0.784 0.000 0.822 365 L CB 1.021 42.282 42.059 -1.329 0.000 1.256 365 L HN 0.484 nan 8.230 nan 0.000 0.413 366 I N 4.974 125.292 120.570 -0.420 0.000 2.433 366 I HA 0.385 4.555 4.170 0.000 0.000 0.292 366 I C -1.028 174.950 176.117 -0.232 0.000 1.001 366 I CA -0.237 60.915 61.300 -0.247 0.000 1.119 366 I CB 1.524 39.397 38.000 -0.211 0.000 1.289 366 I HN 0.408 nan 8.210 nan 0.000 0.438 367 F N 4.888 124.897 119.950 0.099 0.000 2.404 367 F HA 0.442 4.969 4.527 0.000 0.000 0.354 367 F C 0.031 175.973 175.800 0.238 0.000 1.122 367 F CA -0.343 57.744 58.000 0.144 0.000 1.080 367 F CB 1.123 40.191 39.000 0.114 0.000 1.131 367 F HN 0.338 nan 8.300 nan 0.000 0.471 368 C N 2.300 121.850 119.300 0.417 0.000 2.456 368 C HA 0.242 4.702 4.460 0.000 0.000 0.325 368 C C 1.694 176.913 174.990 0.380 0.000 1.217 368 C CA -0.619 58.659 59.018 0.434 0.000 1.687 368 C CB 0.918 28.930 27.740 0.454 0.000 2.270 368 C HN 1.065 nan 8.230 nan 0.000 0.499 369 H N 1.180 120.374 119.070 0.206 0.000 2.387 369 H HA -0.017 4.539 4.556 0.000 0.000 0.299 369 H C 0.951 176.353 175.328 0.124 0.000 1.090 369 H CA 1.536 57.669 56.048 0.142 0.000 1.332 369 H CB 0.210 30.055 29.762 0.138 0.000 1.386 369 H HN 0.619 nan 8.280 nan 0.000 0.516 370 S N -0.501 115.035 115.700 -0.274 0.000 2.715 370 S HA 0.230 4.700 4.470 0.000 0.000 0.307 370 S C 0.841 175.362 174.600 -0.132 0.000 1.119 370 S CA -0.504 57.478 58.200 -0.363 0.000 0.937 370 S CB 2.544 65.393 63.200 -0.586 0.000 1.150 370 S HN 0.604 nan 8.310 nan 0.000 0.521 371 K N 0.553 120.797 120.400 -0.260 0.000 2.305 371 K HA 0.193 4.513 4.320 0.000 0.000 0.199 371 K C 1.832 178.230 176.600 -0.337 0.000 1.047 371 K CA 0.492 56.492 56.287 -0.478 0.000 0.976 371 K CB -0.187 31.663 32.500 -1.082 0.000 0.765 371 K HN 0.544 nan 8.250 nan 0.000 0.474 372 K N 1.176 121.451 120.400 -0.209 0.000 2.057 372 K HA -0.100 4.220 4.320 0.000 0.000 0.206 372 K C 1.699 178.297 176.600 -0.003 0.000 1.050 372 K CA 1.239 57.468 56.287 -0.098 0.000 0.935 372 K CB 0.123 32.582 32.500 -0.069 0.000 0.715 372 K HN -0.066 nan 8.250 nan 0.000 0.439 373 K N 0.287 120.717 120.400 0.051 0.000 2.362 373 K HA -0.022 4.298 4.320 0.000 0.000 0.200 373 K C 1.661 178.354 176.600 0.154 0.000 1.046 373 K CA 0.818 57.178 56.287 0.122 0.000 0.952 373 K CB -0.171 32.472 32.500 0.238 0.000 0.753 373 K HN 0.243 nan 8.250 nan 0.000 0.466 374 C N 0.119 119.510 119.300 0.151 0.000 2.522 374 C HA 0.024 4.484 4.460 0.000 0.000 0.280 374 C C 1.967 177.061 174.990 0.173 0.000 1.303 374 C CA 0.233 59.371 59.018 0.199 0.000 1.709 374 C CB -0.477 27.439 27.740 0.294 0.000 2.071 374 C HN 0.481 nan 8.230 nan 0.000 0.492 375 D N 0.780 121.273 120.400 0.154 0.000 2.182 375 D HA -0.121 4.519 4.640 0.000 0.000 0.201 375 D C 2.069 178.421 176.300 0.086 0.000 0.986 375 D CA 1.215 55.293 54.000 0.130 0.000 0.847 375 D CB -0.282 40.569 40.800 0.084 0.000 0.942 375 D HN 0.596 nan 8.370 nan 0.000 0.467 376 E N -0.415 119.829 120.200 0.074 0.000 2.001 376 E HA -0.130 4.220 4.350 0.000 0.000 0.193 376 E C 1.962 178.602 176.600 0.066 0.000 0.994 376 E CA 0.219 56.653 56.400 0.057 0.000 0.815 376 E CB -0.076 29.650 29.700 0.043 0.000 0.770 376 E HN 0.023 nan 8.360 nan 0.000 0.453 377 L N 1.143 122.421 121.223 0.091 0.000 1.971 377 L HA -0.216 4.124 4.340 0.000 0.000 0.215 377 L C 2.290 179.197 176.870 0.062 0.000 1.072 377 L CA 2.270 57.165 54.840 0.092 0.000 0.758 377 L CB -1.234 40.909 42.059 0.141 0.000 0.889 377 L HN 0.168 nan 8.230 nan 0.000 0.433 378 A N -1.309 121.552 122.820 0.069 0.000 2.093 378 A HA -0.191 4.129 4.320 0.000 0.000 0.222 378 A C 2.349 179.956 177.584 0.039 0.000 1.162 378 A CA 2.090 54.156 52.037 0.049 0.000 0.655 378 A CB -0.848 18.188 19.000 0.061 0.000 0.805 378 A HN 0.573 nan 8.150 nan 0.000 0.461 379 A N 0.112 122.958 122.820 0.044 0.000 1.844 379 A HA -0.008 4.312 4.320 0.000 0.000 0.212 379 A C 2.064 179.663 177.584 0.025 0.000 1.221 379 A CA 1.740 53.797 52.037 0.034 0.000 0.607 379 A CB -0.507 18.514 19.000 0.036 0.000 0.878 379 A HN 0.543 nan 8.150 nan 0.000 0.451 380 K N -0.035 120.381 120.400 0.026 0.000 2.063 380 K HA -0.092 4.228 4.320 0.000 0.000 0.208 380 K C 1.836 178.444 176.600 0.013 0.000 1.048 380 K CA 1.619 57.917 56.287 0.019 0.000 0.928 380 K CB -0.447 32.066 32.500 0.023 0.000 0.713 380 K HN 0.409 nan 8.250 nan 0.000 0.442 381 L N 1.239 122.470 121.223 0.014 0.000 2.012 381 L HA -0.223 4.117 4.340 0.000 0.000 0.210 381 L C 2.754 179.625 176.870 0.001 0.000 1.073 381 L CA 1.830 56.671 54.840 0.001 0.000 0.748 381 L CB -0.676 41.382 42.059 -0.003 0.000 0.891 381 L HN 0.476 nan 8.230 nan 0.000 0.431 382 S N -0.373 115.332 115.700 0.008 0.000 2.368 382 S HA -0.137 4.333 4.470 0.000 0.000 0.225 382 S C 2.116 176.720 174.600 0.006 0.000 1.030 382 S CA 0.957 59.162 58.200 0.008 0.000 0.999 382 S CB -1.291 61.916 63.200 0.012 0.000 0.844 382 S HN 0.449 nan 8.310 nan 0.000 0.459 383 G N 1.926 110.731 108.800 0.008 0.000 2.503 383 G HA2 -0.134 3.826 3.960 0.000 0.000 0.221 383 G HA3 -0.134 3.826 3.960 0.000 0.000 0.221 383 G C 1.071 175.973 174.900 0.003 0.000 1.131 383 G CA 1.027 46.130 45.100 0.006 0.000 0.756 383 G HN 0.484 nan 8.290 nan 0.000 0.572 384 L N 1.125 122.348 121.223 0.000 0.000 2.675 384 L HA 0.304 4.645 4.340 0.000 0.000 0.239 384 L C 2.100 178.968 176.870 -0.004 0.000 1.151 384 L CA 0.487 55.325 54.840 -0.004 0.000 0.905 384 L CB -0.612 41.442 42.059 -0.009 0.000 1.057 384 L HN 0.443 nan 8.230 nan 0.000 0.435 385 G N -0.902 107.898 108.800 -0.001 0.000 2.159 385 G HA2 -0.247 3.713 3.960 0.000 0.000 0.256 385 G HA3 -0.247 3.713 3.960 0.000 0.000 0.256 385 G C 0.454 175.355 174.900 0.001 0.000 0.977 385 G CA -0.150 44.950 45.100 0.000 0.000 0.652 385 G HN 0.177 nan 8.290 nan 0.000 0.531 386 I N 1.224 121.793 120.570 -0.002 0.000 2.371 386 I HA 0.184 4.355 4.170 0.000 0.000 0.290 386 I C 0.605 176.725 176.117 0.005 0.000 1.028 386 I CA -1.156 60.144 61.300 -0.001 0.000 1.345 386 I CB 1.023 39.016 38.000 -0.011 0.000 1.407 386 I HN 0.207 nan 8.210 nan 0.000 0.501 387 N N 5.956 124.662 118.700 0.010 0.000 2.421 387 N HA 0.359 5.099 4.740 0.000 0.000 0.260 387 N C -0.590 174.927 175.510 0.011 0.000 1.173 387 N CA -0.074 52.983 53.050 0.010 0.000 0.960 387 N CB 0.399 38.892 38.487 0.012 0.000 1.273 387 N HN 0.705 nan 8.380 nan 0.000 0.497 388 A N 2.326 125.150 122.820 0.008 0.000 2.346 388 A HA 0.816 5.136 4.320 0.000 0.000 0.313 388 A C -0.935 176.651 177.584 0.004 0.000 1.140 388 A CA -0.551 51.489 52.037 0.004 0.000 0.826 388 A CB 1.341 20.343 19.000 0.004 0.000 1.332 388 A HN 0.759 nan 8.150 nan 0.000 0.457 389 V N -2.552 117.361 119.914 -0.002 0.000 2.737 389 V HA 0.742 4.862 4.120 0.000 0.000 0.298 389 V C -0.146 175.952 176.094 0.007 0.000 1.163 389 V CA -0.417 61.883 62.300 -0.000 0.000 0.925 389 V CB 0.523 32.337 31.823 -0.014 0.000 1.037 389 V HN 1.876 nan 8.190 nan 0.000 0.433 390 A N 4.230 127.065 122.820 0.025 0.000 2.388 390 A HA 0.819 5.139 4.320 0.000 0.000 0.257 390 A C -0.996 176.547 177.584 -0.069 0.000 1.095 390 A CA -0.314 51.757 52.037 0.057 0.000 0.791 390 A CB 0.697 19.804 19.000 0.178 0.000 1.029 390 A HN 1.671 nan 8.150 nan 0.000 0.489 391 Y N 2.093 122.277 120.300 -0.194 0.000 2.457 391 Y HA 0.599 5.149 4.550 0.000 0.000 0.343 391 Y C -1.060 174.724 175.900 -0.193 0.000 0.994 391 Y CA -0.746 57.146 58.100 -0.346 0.000 1.031 391 Y CB 1.538 39.887 38.460 -0.185 0.000 1.246 391 Y HN 0.874 nan 8.280 nan 0.000 0.449 392 Y N 1.419 121.229 120.300 -0.816 0.000 2.895 392 Y HA 0.465 5.015 4.550 0.000 0.000 0.339 392 Y C -1.020 174.566 175.900 -0.524 0.000 1.363 392 Y CA -1.953 55.861 58.100 -0.476 0.000 1.085 392 Y CB 0.528 38.879 38.460 -0.181 0.000 1.500 392 Y HN 0.593 nan 8.280 nan 0.000 0.442 393 R N 0.665 121.179 120.500 0.024 0.000 2.538 393 R HA 0.344 4.684 4.340 0.000 0.000 0.282 393 R C 0.929 177.253 176.300 0.041 0.000 1.009 393 R CA 2.168 58.267 56.100 -0.002 0.000 1.063 393 R CB -0.284 30.036 30.300 0.033 0.000 0.945 393 R HN 1.314 nan 8.270 nan 0.000 0.414 394 G N 2.628 111.415 108.800 -0.021 0.000 2.278 394 G HA2 -0.220 3.740 3.960 0.000 0.000 0.210 394 G HA3 -0.220 3.740 3.960 0.000 0.000 0.210 394 G C -0.633 174.241 174.900 -0.043 0.000 1.000 394 G CA -0.438 44.666 45.100 0.007 0.000 0.635 394 G HN 0.401 nan 8.290 nan 0.000 0.495 395 L N 2.266 123.383 121.223 -0.177 0.000 2.352 395 L HA 0.610 4.950 4.340 0.000 0.000 0.269 395 L C 0.372 177.219 176.870 -0.039 0.000 1.034 395 L CA -1.205 53.529 54.840 -0.175 0.000 0.806 395 L CB 1.375 43.198 42.059 -0.394 0.000 1.244 395 L HN 0.422 nan 8.230 nan 0.000 0.447 396 D N 0.391 120.827 120.400 0.058 0.000 2.277 396 D HA 0.139 4.779 4.640 0.000 0.000 0.250 396 D C -0.499 175.941 176.300 0.234 0.000 1.032 396 D CA -0.542 53.538 54.000 0.133 0.000 0.947 396 D CB 1.749 42.596 40.800 0.077 0.000 1.159 396 D HN 0.189 nan 8.370 nan 0.000 0.460 397 V N 2.803 122.846 119.914 0.215 0.000 2.456 397 V HA -0.069 4.051 4.120 0.000 0.000 0.247 397 V C 1.466 177.602 176.094 0.070 0.000 1.056 397 V CA 0.664 63.033 62.300 0.114 0.000 1.203 397 V CB -0.856 31.010 31.823 0.071 0.000 1.185 397 V HN 0.583 nan 8.190 nan 0.000 0.477 398 S N 2.231 117.974 115.700 0.071 0.000 2.572 398 S HA 0.229 4.699 4.470 0.000 0.000 0.228 398 S C 0.266 174.860 174.600 -0.009 0.000 0.963 398 S CA -0.450 57.771 58.200 0.034 0.000 0.939 398 S CB 0.215 63.440 63.200 0.040 0.000 0.804 398 S HN 0.357 nan 8.310 nan 0.000 0.480 399 V N 2.536 122.411 119.914 -0.065 0.000 2.811 399 V HA 0.182 4.302 4.120 0.000 0.000 0.302 399 V C 0.150 176.205 176.094 -0.064 0.000 1.063 399 V CA -0.448 61.767 62.300 -0.142 0.000 1.088 399 V CB 0.240 31.827 31.823 -0.394 0.000 0.982 399 V HN 0.412 nan 8.190 nan 0.000 0.485 400 I N 7.244 127.775 120.570 -0.064 0.000 2.278 400 I HA 0.231 4.401 4.170 0.000 0.000 0.296 400 I C -1.249 174.857 176.117 -0.018 0.000 1.121 400 I CA -1.589 59.695 61.300 -0.027 0.000 1.267 400 I CB 0.373 38.359 38.000 -0.024 0.000 1.447 400 I HN 0.466 nan 8.210 nan 0.000 0.509 401 P HA -0.062 nan 4.420 nan 0.000 0.235 401 P C 1.266 178.562 177.300 -0.006 0.000 1.177 401 P CA 0.636 63.773 63.100 0.062 0.000 0.785 401 P CB -0.071 31.696 31.700 0.111 0.000 0.885 402 T N -1.726 112.822 114.554 -0.010 0.000 3.263 402 T HA -0.147 4.203 4.350 0.000 0.000 0.269 402 T C 1.186 175.868 174.700 -0.031 0.000 1.207 402 T CA 0.211 62.300 62.100 -0.019 0.000 1.037 402 T CB -1.687 67.172 68.868 -0.014 0.000 0.864 402 T HN -0.052 nan 8.240 nan 0.000 0.587 403 I N -0.110 120.433 120.570 -0.045 0.000 5.760 403 I HA -0.186 3.984 4.170 0.000 0.000 0.251 403 I C 0.895 176.985 176.117 -0.046 0.000 1.734 403 I CA 0.569 61.831 61.300 -0.064 0.000 1.970 403 I CB -1.344 36.617 38.000 -0.065 0.000 3.188 403 I HN 0.624 nan 8.210 nan 0.000 0.335 404 G N 0.796 109.577 108.800 -0.032 0.000 2.403 404 G HA2 0.323 4.283 3.960 0.000 0.000 0.259 404 G HA3 0.323 4.283 3.960 0.000 0.000 0.259 404 G C -0.195 174.697 174.900 -0.014 0.000 1.244 404 G CA -0.303 44.786 45.100 -0.019 0.000 0.849 404 G HN 0.309 nan 8.290 nan 0.000 0.532 405 D N -0.580 119.818 120.400 -0.003 0.000 2.836 405 D HA 0.164 4.804 4.640 0.000 0.000 0.220 405 D C 0.228 176.543 176.300 0.024 0.000 1.094 405 D CA 1.205 55.213 54.000 0.015 0.000 0.820 405 D CB 0.929 41.743 40.800 0.023 0.000 1.171 405 D HN 0.282 nan 8.370 nan 0.000 0.507 406 V N 2.243 122.187 119.914 0.050 0.000 3.265 406 V HA 0.399 4.519 4.120 0.000 0.000 0.275 406 V C -1.635 174.522 176.094 0.105 0.000 1.684 406 V CA -0.676 61.658 62.300 0.057 0.000 1.032 406 V CB 2.209 34.049 31.823 0.028 0.000 1.250 406 V HN 0.226 nan 8.190 nan 0.000 0.468 407 V N 3.661 123.614 119.914 0.065 0.000 2.482 407 V HA 0.575 4.696 4.120 0.000 0.000 0.295 407 V C -0.324 175.756 176.094 -0.023 0.000 1.026 407 V CA -0.564 61.764 62.300 0.048 0.000 0.856 407 V CB 1.467 33.301 31.823 0.018 0.000 1.001 407 V HN 1.121 nan 8.190 nan 0.000 0.424 408 V N 2.772 122.630 119.914 -0.092 0.000 2.350 408 V HA 0.680 4.800 4.120 0.000 0.000 0.276 408 V C -0.099 175.879 176.094 -0.192 0.000 1.028 408 V CA -0.564 61.650 62.300 -0.145 0.000 0.860 408 V CB 1.333 33.029 31.823 -0.211 0.000 0.990 408 V HN 0.514 nan 8.190 nan 0.000 0.453 409 V N 5.588 125.450 119.914 -0.085 0.000 2.385 409 V HA 0.794 4.914 4.120 0.000 0.000 0.269 409 V C 0.702 176.801 176.094 0.008 0.000 1.043 409 V CA 0.633 62.909 62.300 -0.039 0.000 0.906 409 V CB 0.659 32.513 31.823 0.051 0.000 0.995 409 V HN 1.308 nan 8.190 nan 0.000 0.467 410 A N 4.076 126.861 122.820 -0.058 0.000 2.479 410 A HA 0.849 5.169 4.320 0.000 0.000 0.296 410 A C -0.192 177.501 177.584 0.182 0.000 1.121 410 A CA -0.503 51.565 52.037 0.052 0.000 0.743 410 A CB 2.084 21.047 19.000 -0.061 0.000 1.323 410 A HN 0.569 nan 8.150 nan 0.000 0.415 411 T N -1.132 113.590 114.554 0.281 0.000 2.880 411 T HA 0.271 4.621 4.350 0.000 0.000 0.279 411 T C 0.544 175.470 174.700 0.376 0.000 0.990 411 T CA -0.098 62.184 62.100 0.302 0.000 0.938 411 T CB 0.571 69.583 68.868 0.239 0.000 1.206 411 T HN 0.571 nan 8.240 nan 0.000 0.573 412 D N 0.658 121.240 120.400 0.302 0.000 2.310 412 D HA 0.037 4.677 4.640 0.000 0.000 0.212 412 D C 1.979 178.442 176.300 0.272 0.000 0.965 412 D CA 0.755 54.925 54.000 0.284 0.000 0.879 412 D CB -0.349 40.541 40.800 0.150 0.000 0.921 412 D HN 0.536 nan 8.370 nan 0.000 0.510 413 A N 1.036 124.009 122.820 0.256 0.000 2.084 413 A HA -0.184 4.136 4.320 0.000 0.000 0.221 413 A C 2.137 179.945 177.584 0.375 0.000 1.161 413 A CA 0.625 52.819 52.037 0.262 0.000 0.653 413 A CB -0.613 18.508 19.000 0.202 0.000 0.802 413 A HN 0.282 nan 8.150 nan 0.000 0.457 414 L N -0.713 120.754 121.223 0.406 0.000 1.976 414 L HA -0.318 4.022 4.340 0.000 0.000 0.223 414 L C 2.746 179.777 176.870 0.268 0.000 1.081 414 L CA 3.241 58.272 54.840 0.319 0.000 0.784 414 L CB -0.790 41.451 42.059 0.302 0.000 0.896 414 L HN 0.714 nan 8.230 nan 0.000 0.438 415 M N -0.612 119.146 119.600 0.263 0.000 2.192 415 M HA -0.185 4.296 4.480 0.000 0.000 0.259 415 M C 1.626 178.013 176.300 0.144 0.000 1.071 415 M CA 2.641 58.057 55.300 0.193 0.000 1.082 415 M CB -1.562 31.138 32.600 0.167 0.000 1.373 415 M HN 0.166 nan 8.290 nan 0.000 0.408 416 T N -1.275 113.373 114.554 0.156 0.000 3.067 416 T HA 0.327 4.677 4.350 0.000 0.000 0.257 416 T C 1.766 176.538 174.700 0.120 0.000 1.105 416 T CA 0.731 62.901 62.100 0.118 0.000 1.104 416 T CB -0.318 68.615 68.868 0.108 0.000 0.925 416 T HN 0.656 nan 8.240 nan 0.000 0.498 417 G N -0.760 108.145 108.800 0.174 0.000 2.748 417 G HA2 0.303 4.263 3.960 0.000 0.000 0.204 417 G HA3 0.303 4.263 3.960 0.000 0.000 0.204 417 G C -0.162 174.791 174.900 0.087 0.000 1.095 417 G CA -0.229 44.968 45.100 0.162 0.000 0.775 417 G HN 0.465 nan 8.290 nan 0.000 0.531 418 Y N 0.880 121.133 120.300 -0.078 0.000 2.545 418 Y HA 0.446 4.996 4.550 0.000 0.000 0.348 418 Y C 1.128 177.004 175.900 -0.040 0.000 1.002 418 Y CA -0.278 57.759 58.100 -0.104 0.000 1.039 418 Y CB 2.199 40.548 38.460 -0.186 0.000 1.271 418 Y HN 0.029 nan 8.280 nan 0.000 0.467 419 T N -0.101 114.033 114.554 -0.700 0.000 2.990 419 T HA 0.305 4.655 4.350 0.000 0.000 0.249 419 T C 0.986 175.465 174.700 -0.369 0.000 1.039 419 T CA 0.313 62.157 62.100 -0.426 0.000 1.036 419 T CB -0.196 68.436 68.868 -0.394 0.000 0.994 419 T HN 0.810 nan 8.240 nan 0.000 0.489 420 G N 2.815 111.176 108.800 -0.732 0.000 2.690 420 G HA2 0.395 4.355 3.960 0.000 0.000 0.239 420 G HA3 0.395 4.355 3.960 0.000 0.000 0.239 420 G C -0.392 174.553 174.900 0.073 0.000 1.233 420 G CA -0.217 44.760 45.100 -0.205 0.000 0.847 420 G HN 0.537 nan 8.290 nan 0.000 0.588 421 D N -1.371 118.962 120.400 -0.112 0.000 2.592 421 D HA 0.704 5.344 4.640 0.000 0.000 0.259 421 D C -0.801 175.349 176.300 -0.249 0.000 1.144 421 D CA -0.570 53.467 54.000 0.061 0.000 1.080 421 D CB 1.291 42.114 40.800 0.040 0.000 1.225 421 D HN 0.214 nan 8.370 nan 0.000 0.619 422 F N -1.389 118.568 119.950 0.012 0.000 2.664 422 F HA 0.211 4.738 4.527 0.000 0.000 0.317 422 F C 1.041 176.798 175.800 -0.071 0.000 1.108 422 F CA -0.938 57.032 58.000 -0.050 0.000 0.957 422 F CB 1.161 40.124 39.000 -0.061 0.000 1.365 422 F HN 0.067 nan 8.300 nan 0.000 0.475 423 D N -0.156 120.255 120.400 0.018 0.000 2.144 423 D HA -0.023 4.617 4.640 0.000 0.000 0.200 423 D C 0.727 177.079 176.300 0.088 0.000 0.978 423 D CA 1.444 55.429 54.000 -0.025 0.000 0.833 423 D CB 0.122 40.822 40.800 -0.166 0.000 0.961 423 D HN 0.305 nan 8.370 nan 0.000 0.470 424 S N -0.795 114.997 115.700 0.153 0.000 2.618 424 S HA 0.567 5.037 4.470 0.000 0.000 0.277 424 S C -1.265 173.470 174.600 0.224 0.000 1.138 424 S CA -0.760 57.595 58.200 0.259 0.000 0.844 424 S CB 2.236 65.668 63.200 0.386 0.000 1.127 424 S HN -0.169 nan 8.310 nan 0.000 0.474 425 V N 2.336 122.377 119.914 0.212 0.000 2.686 425 V HA 0.553 4.673 4.120 0.000 0.000 0.306 425 V C -1.029 175.156 176.094 0.151 0.000 1.065 425 V CA -0.537 61.885 62.300 0.203 0.000 0.894 425 V CB 1.597 33.650 31.823 0.384 0.000 1.004 425 V HN 0.896 nan 8.190 nan 0.000 0.424 426 I N 3.807 124.410 120.570 0.055 0.000 2.389 426 I HA 0.449 4.619 4.170 0.000 0.000 0.288 426 I C -0.901 175.298 176.117 0.137 0.000 0.999 426 I CA -0.264 61.008 61.300 -0.047 0.000 1.129 426 I CB 1.779 39.623 38.000 -0.261 0.000 1.288 426 I HN 0.504 nan 8.210 nan 0.000 0.444 427 D N 5.110 125.603 120.400 0.155 0.000 2.256 427 D HA 0.210 4.850 4.640 0.000 0.000 0.240 427 D C 0.837 177.287 176.300 0.250 0.000 1.062 427 D CA -0.685 53.490 54.000 0.291 0.000 0.832 427 D CB 1.705 42.701 40.800 0.326 0.000 1.135 427 D HN 0.704 nan 8.370 nan 0.000 0.484 428 C N 2.461 121.856 119.300 0.158 0.000 2.456 428 C HA 0.158 4.618 4.460 0.000 0.000 0.279 428 C C 1.095 175.914 174.990 -0.286 0.000 1.427 428 C CA 0.050 58.833 59.018 -0.391 0.000 1.778 428 C CB -1.646 25.330 27.740 -1.274 0.000 1.842 428 C HN 0.870 nan 8.230 nan 0.000 0.531 429 N N 0.563 119.225 118.700 -0.065 0.000 2.828 429 N HA -0.172 4.569 4.740 0.000 0.000 0.248 429 N C 0.042 175.519 175.510 -0.055 0.000 1.044 429 N CA 1.147 54.189 53.050 -0.013 0.000 0.851 429 N CB -1.660 36.855 38.487 0.046 0.000 1.136 429 N HN 0.919 nan 8.380 nan 0.000 0.572 430 T N -2.683 111.804 114.554 -0.112 0.000 2.916 430 T HA 0.839 5.189 4.350 0.000 0.000 0.292 430 T C 0.109 174.822 174.700 0.022 0.000 1.064 430 T CA -0.245 61.825 62.100 -0.049 0.000 1.011 430 T CB 2.542 71.365 68.868 -0.076 0.000 1.152 430 T HN 0.453 nan 8.240 nan 0.000 0.510 431 C N -0.377 118.963 119.300 0.068 0.000 3.332 431 C HA 0.876 5.336 4.460 0.000 0.000 0.329 431 C C -0.812 174.246 174.990 0.113 0.000 1.434 431 C CA -0.890 58.186 59.018 0.097 0.000 1.314 431 C CB 0.754 28.526 27.740 0.054 0.000 1.664 431 C HN 0.872 nan 8.230 nan 0.000 0.457 432 V N 1.479 121.449 119.914 0.094 0.000 2.398 432 V HA 0.707 4.827 4.120 0.000 0.000 0.286 432 V C 0.431 176.563 176.094 0.064 0.000 1.026 432 V CA 0.477 62.825 62.300 0.080 0.000 0.868 432 V CB 1.416 33.264 31.823 0.042 0.000 0.982 432 V HN 1.144 nan 8.190 nan 0.000 0.443 433 T N 4.284 118.880 114.554 0.069 0.000 2.926 433 T HA 0.602 4.952 4.350 0.000 0.000 0.289 433 T C -0.933 173.815 174.700 0.080 0.000 1.054 433 T CA -0.456 61.685 62.100 0.069 0.000 1.015 433 T CB 1.919 70.828 68.868 0.068 0.000 1.167 433 T HN 0.709 nan 8.240 nan 0.000 0.526 434 Q N 1.009 120.865 119.800 0.093 0.000 2.353 434 Q HA 0.636 4.976 4.340 0.000 0.000 0.268 434 Q C -1.177 174.886 176.000 0.106 0.000 1.045 434 Q CA -0.839 55.034 55.803 0.117 0.000 0.811 434 Q CB 2.288 31.134 28.738 0.181 0.000 1.305 434 Q HN 0.829 nan 8.270 nan 0.000 0.447 435 T N -1.818 112.788 114.554 0.087 0.000 2.916 435 T HA 0.566 4.916 4.350 0.000 0.000 0.305 435 T C -1.082 173.642 174.700 0.039 0.000 1.119 435 T CA -0.752 61.385 62.100 0.061 0.000 1.008 435 T CB 1.504 70.394 68.868 0.038 0.000 1.129 435 T HN 0.371 nan 8.240 nan 0.000 0.480 436 V N 1.045 120.958 119.914 -0.001 0.000 2.532 436 V HA 0.669 4.789 4.120 0.000 0.000 0.295 436 V C -1.185 174.762 176.094 -0.245 0.000 1.041 436 V CA -0.442 61.827 62.300 -0.052 0.000 0.926 436 V CB 1.523 33.354 31.823 0.013 0.000 0.992 436 V HN 1.077 nan 8.190 nan 0.000 0.457 437 D N 4.230 124.534 120.400 -0.159 0.000 2.408 437 D HA 0.380 5.020 4.640 0.000 0.000 0.243 437 D C -0.549 175.677 176.300 -0.123 0.000 1.075 437 D CA -0.274 53.610 54.000 -0.193 0.000 0.832 437 D CB 1.012 41.792 40.800 -0.033 0.000 1.162 437 D HN 0.462 nan 8.370 nan 0.000 0.515 438 F N 2.654 122.632 119.950 0.046 0.000 2.659 438 F HA 0.110 4.637 4.527 0.000 0.000 0.360 438 F C 1.794 177.608 175.800 0.023 0.000 1.218 438 F CA -0.495 57.507 58.000 0.003 0.000 1.317 438 F CB 0.002 38.899 39.000 -0.171 0.000 1.697 438 F HN 0.352 nan 8.300 nan 0.000 0.637 439 S N 0.157 115.965 115.700 0.180 0.000 2.561 439 S HA -0.035 4.435 4.470 0.000 0.000 0.225 439 S C 1.012 175.666 174.600 0.090 0.000 0.977 439 S CA -0.088 58.178 58.200 0.110 0.000 0.926 439 S CB -0.459 62.791 63.200 0.084 0.000 0.769 439 S HN 0.640 nan 8.310 nan 0.000 0.533 440 L N 1.518 122.806 121.223 0.109 0.000 3.737 440 L HA -0.179 4.161 4.340 0.000 0.000 0.418 440 L C -0.992 175.902 176.870 0.040 0.000 1.216 440 L CA 0.797 55.679 54.840 0.069 0.000 0.915 440 L CB -2.079 40.007 42.059 0.045 0.000 1.834 440 L HN 0.571 nan 8.230 nan 0.000 0.943 441 D N -1.497 118.923 120.400 0.033 0.000 2.749 441 D HA 0.295 4.935 4.640 0.000 0.000 0.338 441 D C -1.288 175.001 176.300 -0.018 0.000 1.236 441 D CA -1.458 52.547 54.000 0.008 0.000 0.845 441 D CB 0.548 41.356 40.800 0.012 0.000 1.080 441 D HN 0.142 nan 8.370 nan 0.000 0.497 442 P HA -0.005 nan 4.420 nan 0.000 0.245 442 P C 0.646 177.952 177.300 0.010 0.000 1.203 442 P CA 0.633 63.725 63.100 -0.013 0.000 0.792 442 P CB 0.831 32.515 31.700 -0.027 0.000 0.997 443 T N -2.306 112.249 114.554 0.001 0.000 3.364 443 T HA 0.380 4.730 4.350 0.000 0.000 0.179 443 T C 0.419 175.243 174.700 0.207 0.000 0.939 443 T CA -0.134 62.011 62.100 0.076 0.000 1.094 443 T CB -0.257 68.624 68.868 0.021 0.000 1.532 443 T HN 0.096 nan 8.240 nan 0.000 0.346 444 F N 0.437 120.520 119.950 0.220 0.000 2.664 444 F HA 0.877 5.404 4.527 0.000 0.000 0.317 444 F C -1.338 174.571 175.800 0.182 0.000 1.108 444 F CA -1.088 57.051 58.000 0.232 0.000 0.957 444 F CB 1.741 40.962 39.000 0.369 0.000 1.365 444 F HN 0.202 nan 8.300 nan 0.000 0.475 445 T N 1.991 116.794 114.554 0.415 0.000 2.893 445 T HA 0.603 4.953 4.350 0.000 0.000 0.293 445 T C -1.130 173.731 174.700 0.267 0.000 1.027 445 T CA -0.449 61.796 62.100 0.243 0.000 0.988 445 T CB 1.865 70.805 68.868 0.119 0.000 1.043 445 T HN 0.614 nan 8.240 nan 0.000 0.461 446 I N 3.327 124.001 120.570 0.172 0.000 2.382 446 I HA 0.283 4.453 4.170 0.000 0.000 0.285 446 I C 0.145 176.293 176.117 0.051 0.000 1.007 446 I CA -0.594 60.754 61.300 0.081 0.000 1.142 446 I CB 1.074 39.019 38.000 -0.091 0.000 1.289 446 I HN 0.649 nan 8.210 nan 0.000 0.453 447 E N 4.377 124.613 120.200 0.060 0.000 2.214 447 E HA 0.502 4.852 4.350 0.000 0.000 0.274 447 E C -0.985 175.655 176.600 0.067 0.000 0.977 447 E CA -0.806 55.629 56.400 0.058 0.000 0.827 447 E CB 1.748 31.479 29.700 0.051 0.000 1.130 447 E HN 0.241 nan 8.360 nan 0.000 0.394 448 T N 2.113 116.706 114.554 0.065 0.000 2.770 448 T HA 0.436 4.786 4.350 0.000 0.000 0.283 448 T C -0.540 174.199 174.700 0.064 0.000 0.988 448 T CA -0.557 61.585 62.100 0.069 0.000 0.957 448 T CB 1.143 70.049 68.868 0.063 0.000 0.930 448 T HN 0.650 nan 8.240 nan 0.000 0.443 449 T N -0.380 114.216 114.554 0.069 0.000 2.916 449 T HA 0.654 5.004 4.350 0.000 0.000 0.305 449 T C -0.172 174.581 174.700 0.089 0.000 1.119 449 T CA -0.930 61.215 62.100 0.074 0.000 1.008 449 T CB 1.736 70.642 68.868 0.063 0.000 1.129 449 T HN 0.497 nan 8.240 nan 0.000 0.480 450 T N 0.494 115.116 114.554 0.113 0.000 2.771 450 T HA 0.641 4.991 4.350 0.000 0.000 0.291 450 T C 0.201 174.956 174.700 0.091 0.000 0.954 450 T CA -0.353 61.831 62.100 0.140 0.000 1.045 450 T CB 0.209 69.229 68.868 0.253 0.000 0.917 450 T HN 1.448 nan 8.240 nan 0.000 0.484 451 V N 0.990 120.951 119.914 0.078 0.000 3.001 451 V HA 0.810 4.930 4.120 0.000 0.000 0.314 451 V C -2.996 173.122 176.094 0.040 0.000 1.099 451 V CA -3.308 59.025 62.300 0.054 0.000 0.989 451 V CB 1.402 33.255 31.823 0.050 0.000 1.040 451 V HN 0.652 nan 8.190 nan 0.000 0.434 452 P HA 0.132 nan 4.420 nan 0.000 0.266 452 P C -0.456 176.855 177.300 0.019 0.000 1.195 452 P CA 0.154 63.266 63.100 0.019 0.000 0.768 452 P CB 0.225 31.939 31.700 0.022 0.000 0.838 453 Q N 3.023 122.829 119.800 0.010 0.000 2.421 453 Q HA 0.120 4.461 4.340 0.000 0.000 0.255 453 Q C -0.106 175.896 176.000 0.003 0.000 1.013 453 Q CA -0.321 55.484 55.803 0.003 0.000 0.895 453 Q CB 0.633 29.363 28.738 -0.012 0.000 1.271 453 Q HN 0.495 nan 8.270 nan 0.000 0.460 454 D N 1.027 121.428 120.400 0.002 0.000 2.478 454 D HA 0.232 4.872 4.640 0.000 0.000 0.263 454 D C 0.398 176.687 176.300 -0.017 0.000 1.153 454 D CA -0.050 53.952 54.000 0.003 0.000 1.038 454 D CB 1.061 41.874 40.800 0.022 0.000 1.120 454 D HN 0.628 nan 8.370 nan 0.000 0.564 455 A N 0.266 123.075 122.820 -0.018 0.000 1.933 455 A HA -0.078 4.242 4.320 0.000 0.000 0.218 455 A C 2.406 179.945 177.584 -0.075 0.000 1.175 455 A CA 1.498 53.509 52.037 -0.044 0.000 0.628 455 A CB -0.909 18.073 19.000 -0.030 0.000 0.814 455 A HN 0.396 nan 8.150 nan 0.000 0.444 456 V N -0.242 119.631 119.914 -0.067 0.000 2.261 456 V HA -0.249 3.871 4.120 0.000 0.000 0.246 456 V C 2.895 178.922 176.094 -0.112 0.000 1.047 456 V CA 2.429 64.659 62.300 -0.117 0.000 1.015 456 V CB -0.816 30.960 31.823 -0.079 0.000 0.642 456 V HN 0.736 nan 8.190 nan 0.000 0.446 457 S N -0.345 115.309 115.700 -0.076 0.000 2.359 457 S HA -0.333 4.137 4.470 0.000 0.000 0.223 457 S C 2.186 176.699 174.600 -0.145 0.000 1.039 457 S CA 2.389 60.529 58.200 -0.100 0.000 1.042 457 S CB -0.396 62.764 63.200 -0.067 0.000 0.915 457 S HN 0.527 nan 8.310 nan 0.000 0.439 458 R N 0.302 120.732 120.500 -0.116 0.000 2.094 458 R HA -0.077 4.263 4.340 0.000 0.000 0.239 458 R C 2.627 178.796 176.300 -0.219 0.000 1.137 458 R CA 2.084 58.101 56.100 -0.138 0.000 0.943 458 R CB -0.680 29.555 30.300 -0.108 0.000 0.850 458 R HN 0.490 nan 8.270 nan 0.000 0.433 459 S N 0.305 115.896 115.700 -0.182 0.000 2.359 459 S HA -0.239 4.231 4.470 0.000 0.000 0.223 459 S C 1.885 176.390 174.600 -0.160 0.000 1.039 459 S CA 1.631 59.726 58.200 -0.174 0.000 1.042 459 S CB -0.308 62.807 63.200 -0.141 0.000 0.915 459 S HN 0.376 nan 8.310 nan 0.000 0.439 460 Q N 0.482 120.193 119.800 -0.148 0.000 2.119 460 Q HA 0.035 4.375 4.340 0.000 0.000 0.201 460 Q C 2.368 178.290 176.000 -0.130 0.000 0.972 460 Q CA 1.099 56.839 55.803 -0.105 0.000 0.847 460 Q CB 0.035 28.727 28.738 -0.077 0.000 0.903 460 Q HN 0.388 nan 8.270 nan 0.000 0.433 461 R N -0.567 119.771 120.500 -0.271 0.000 2.090 461 R HA -0.029 4.311 4.340 0.000 0.000 0.228 461 R C 2.254 178.505 176.300 -0.081 0.000 1.110 461 R CA 1.043 56.877 56.100 -0.443 0.000 0.973 461 R CB -0.232 29.649 30.300 -0.698 0.000 0.869 461 R HN 0.160 nan 8.270 nan 0.000 0.440 462 R N 0.755 121.114 120.500 -0.237 0.000 2.115 462 R HA -0.060 4.280 4.340 0.000 0.000 0.226 462 R C 2.011 178.217 176.300 -0.157 0.000 1.100 462 R CA 1.279 57.149 56.100 -0.383 0.000 0.980 462 R CB -0.280 29.513 30.300 -0.846 0.000 0.875 462 R HN 0.253 nan 8.270 nan 0.000 0.445 463 G N 0.359 109.101 108.800 -0.096 0.000 2.625 463 G HA2 -0.168 3.792 3.960 0.000 0.000 0.214 463 G HA3 -0.168 3.792 3.960 0.000 0.000 0.214 463 G C 1.126 176.060 174.900 0.057 0.000 1.132 463 G CA -0.082 45.001 45.100 -0.027 0.000 0.782 463 G HN 0.137 nan 8.290 nan 0.000 0.538 464 R N -0.035 120.549 120.500 0.140 0.000 2.325 464 R HA 0.153 4.493 4.340 0.000 0.000 0.214 464 R C 0.321 176.787 176.300 0.278 0.000 0.961 464 R CA 0.144 56.400 56.100 0.260 0.000 1.086 464 R CB -0.511 30.014 30.300 0.375 0.000 1.037 464 R HN 0.279 nan 8.270 nan 0.000 0.493 465 T N -2.704 111.939 114.554 0.148 0.000 2.864 465 T HA 0.449 4.800 4.350 0.000 0.000 0.299 465 T C 0.298 174.985 174.700 -0.021 0.000 1.166 465 T CA 0.271 62.441 62.100 0.118 0.000 1.007 465 T CB 1.540 70.502 68.868 0.157 0.000 1.219 465 T HN 0.297 nan 8.240 nan 0.000 0.506 466 G N 2.405 111.191 108.800 -0.023 0.000 2.155 466 G HA2 -0.218 3.742 3.960 0.000 0.000 0.257 466 G HA3 -0.218 3.742 3.960 0.000 0.000 0.257 466 G C 0.147 175.007 174.900 -0.067 0.000 0.983 466 G CA 0.195 45.236 45.100 -0.099 0.000 0.676 466 G HN 0.772 nan 8.290 nan 0.000 0.528 467 R N 0.372 120.867 120.500 -0.009 0.000 2.459 467 R HA 0.396 4.736 4.340 0.000 0.000 0.301 467 R C 1.469 177.794 176.300 0.042 0.000 1.286 467 R CA 0.465 56.585 56.100 0.034 0.000 1.046 467 R CB -0.052 30.267 30.300 0.032 0.000 1.071 467 R HN 1.291 nan 8.270 nan 0.000 0.512 468 G N 2.901 111.744 108.800 0.072 0.000 2.225 468 G HA2 -0.348 3.612 3.960 0.000 0.000 0.267 468 G HA3 -0.348 3.612 3.960 0.000 0.000 0.267 468 G C 0.015 174.940 174.900 0.042 0.000 1.024 468 G CA 0.835 45.971 45.100 0.059 0.000 0.784 468 G HN 0.741 nan 8.290 nan 0.000 0.507 469 R N -2.722 117.803 120.500 0.042 0.000 2.687 469 R HA 0.603 4.944 4.340 0.000 0.000 0.265 469 R C -0.561 175.759 176.300 0.033 0.000 1.048 469 R CA -1.337 54.782 56.100 0.031 0.000 0.884 469 R CB 0.645 30.955 30.300 0.015 0.000 1.258 469 R HN 0.001 nan 8.270 nan 0.000 0.469 470 R N 0.507 121.029 120.500 0.036 0.000 2.638 470 R HA 0.373 4.713 4.340 0.000 0.000 0.268 470 R C -0.121 176.203 176.300 0.040 0.000 1.006 470 R CA 1.091 57.216 56.100 0.042 0.000 1.088 470 R CB 0.518 30.844 30.300 0.044 0.000 0.950 470 R HN 0.828 nan 8.270 nan 0.000 0.419 471 G N 1.884 110.711 108.800 0.044 0.000 2.660 471 G HA2 0.650 4.611 3.960 0.000 0.000 0.294 471 G HA3 0.650 4.611 3.960 0.000 0.000 0.294 471 G C -1.137 173.820 174.900 0.095 0.000 1.369 471 G CA -0.644 44.493 45.100 0.061 0.000 0.912 471 G HN 0.445 nan 8.290 nan 0.000 0.479 472 I N 0.589 121.239 120.570 0.134 0.000 2.465 472 I HA 0.297 4.467 4.170 0.000 0.000 0.291 472 I C -1.449 174.805 176.117 0.228 0.000 1.014 472 I CA -0.902 60.494 61.300 0.159 0.000 1.093 472 I CB 2.306 40.383 38.000 0.129 0.000 1.267 472 I HN 0.486 nan 8.210 nan 0.000 0.431 473 Y N 6.951 127.316 120.300 0.109 0.000 2.402 473 Y HA 0.463 5.013 4.550 0.000 0.000 0.332 473 Y C -0.467 175.564 175.900 0.220 0.000 0.960 473 Y CA -0.840 57.346 58.100 0.144 0.000 1.228 473 Y CB 0.501 39.034 38.460 0.121 0.000 1.120 473 Y HN 0.415 nan 8.280 nan 0.000 0.491 474 R N 6.586 126.931 120.500 -0.260 0.000 2.368 474 R HA 0.427 4.768 4.340 0.000 0.000 0.302 474 R C -1.353 174.699 176.300 -0.413 0.000 1.002 474 R CA -0.563 55.371 56.100 -0.277 0.000 0.929 474 R CB 1.119 31.304 30.300 -0.192 0.000 1.073 474 R HN 0.671 nan 8.270 nan 0.000 0.464 475 F N -1.784 117.919 119.950 -0.412 0.000 2.588 475 F HA 0.422 4.949 4.527 0.000 0.000 0.314 475 F C 0.525 176.283 175.800 -0.069 0.000 1.069 475 F CA -1.283 56.545 58.000 -0.286 0.000 0.931 475 F CB 0.470 39.305 39.000 -0.274 0.000 1.260 475 F HN 0.075 nan 8.300 nan 0.000 0.465 476 V N 0.139 120.112 119.914 0.099 0.000 2.535 476 V HA 0.094 4.214 4.120 0.000 0.000 0.246 476 V C 0.410 176.575 176.094 0.119 0.000 1.045 476 V CA 1.648 63.978 62.300 0.051 0.000 1.058 476 V CB -0.178 31.676 31.823 0.052 0.000 0.689 476 V HN 0.948 nan 8.190 nan 0.000 0.461 477 T N 0.250 114.996 114.554 0.319 0.000 2.909 477 T HA 0.358 4.708 4.350 0.000 0.000 0.299 477 T C -2.104 172.854 174.700 0.429 0.000 1.073 477 T CA -0.877 61.422 62.100 0.332 0.000 0.999 477 T CB 2.554 71.513 68.868 0.152 0.000 1.098 477 T HN -0.038 nan 8.240 nan 0.000 0.477 478 P HA 0.099 nan 4.420 nan 0.000 0.222 478 P C 1.125 178.415 177.300 -0.017 0.000 1.157 478 P CA 0.337 63.455 63.100 0.030 0.000 0.816 478 P CB -0.199 31.576 31.700 0.125 0.000 0.813 479 G N 0.455 109.277 108.800 0.038 0.000 2.641 479 G HA2 -0.042 3.918 3.960 0.000 0.000 0.310 479 G HA3 -0.042 3.918 3.960 0.000 0.000 0.310 479 G C -0.586 174.314 174.900 -0.001 0.000 1.291 479 G CA 0.162 45.275 45.100 0.020 0.000 1.133 479 G HN 0.358 nan 8.290 nan 0.000 0.660 480 E N -1.772 118.431 120.200 0.004 0.000 3.538 480 E HA 0.146 4.496 4.350 0.000 0.000 0.363 480 E C -0.528 176.074 176.600 0.003 0.000 1.052 480 E CA -0.523 55.875 56.400 -0.003 0.000 0.848 480 E CB 0.771 30.462 29.700 -0.016 0.000 1.255 480 E HN 0.546 nan 8.360 nan 0.000 0.483 481 R N 3.672 124.174 120.500 0.004 0.000 2.500 481 R HA 0.425 4.765 4.340 0.000 0.000 0.275 481 R C -2.120 174.180 176.300 0.000 0.000 1.051 481 R CA -1.737 54.363 56.100 0.001 0.000 1.088 481 R CB 0.662 30.967 30.300 0.008 0.000 1.063 481 R HN 0.313 nan 8.270 nan 0.000 0.511 482 P HA -0.052 nan 4.420 nan 0.000 0.267 482 P C -0.543 176.804 177.300 0.079 0.000 1.200 482 P CA 0.033 63.133 63.100 0.000 0.000 0.772 482 P CB 0.807 32.391 31.700 -0.193 0.000 0.855 483 S N 0.312 116.100 115.700 0.146 0.000 2.730 483 S HA 0.621 5.091 4.470 0.000 0.000 0.284 483 S C 1.144 175.863 174.600 0.198 0.000 1.153 483 S CA 0.116 58.395 58.200 0.131 0.000 0.995 483 S CB 0.682 63.922 63.200 0.067 0.000 1.058 483 S HN 0.875 nan 8.310 nan 0.000 0.552 484 G N -0.183 108.705 108.800 0.147 0.000 2.176 484 G HA2 -0.215 3.745 3.960 0.000 0.000 0.253 484 G HA3 -0.215 3.745 3.960 0.000 0.000 0.253 484 G C -0.171 174.828 174.900 0.165 0.000 0.979 484 G CA 0.428 45.607 45.100 0.132 0.000 0.641 484 G HN 0.726 nan 8.290 nan 0.000 0.530 485 M N -0.203 119.509 119.600 0.188 0.000 2.598 485 M HA 0.776 5.256 4.480 0.000 0.000 0.317 485 M C -0.228 176.186 176.300 0.190 0.000 1.179 485 M CA -1.126 54.243 55.300 0.115 0.000 0.936 485 M CB 1.990 34.646 32.600 0.094 0.000 1.713 485 M HN 0.407 nan 8.290 nan 0.000 0.460 486 F N -1.609 118.368 119.950 0.044 0.000 2.626 486 F HA 0.708 5.235 4.527 0.000 0.000 0.311 486 F C -0.991 174.821 175.800 0.019 0.000 1.088 486 F CA -1.282 56.733 58.000 0.026 0.000 0.949 486 F CB 0.952 39.958 39.000 0.010 0.000 1.322 486 F HN 0.487 nan 8.300 nan 0.000 0.461 487 D N 0.616 121.179 120.400 0.272 0.000 2.344 487 D HA 0.183 4.823 4.640 0.000 0.000 0.244 487 D C 1.133 177.574 176.300 0.235 0.000 1.134 487 D CA 0.145 54.244 54.000 0.165 0.000 0.930 487 D CB 1.902 42.785 40.800 0.138 0.000 1.175 487 D HN 0.681 nan 8.370 nan 0.000 0.437 488 S N 0.471 116.296 115.700 0.208 0.000 2.442 488 S HA -0.165 4.305 4.470 0.000 0.000 0.236 488 S C 1.866 176.681 174.600 0.357 0.000 1.007 488 S CA 1.541 59.974 58.200 0.389 0.000 0.965 488 S CB -0.462 63.134 63.200 0.659 0.000 0.773 488 S HN 0.530 nan 8.310 nan 0.000 0.504 489 S N 0.306 116.144 115.700 0.229 0.000 2.447 489 S HA -0.002 4.468 4.470 0.000 0.000 0.233 489 S C 1.690 176.320 174.600 0.049 0.000 1.006 489 S CA 0.965 59.228 58.200 0.106 0.000 0.957 489 S CB -0.518 62.773 63.200 0.151 0.000 0.773 489 S HN 0.347 nan 8.310 nan 0.000 0.507 490 V N 1.894 121.871 119.914 0.105 0.000 2.453 490 V HA -0.046 4.074 4.120 0.000 0.000 0.247 490 V C 2.494 178.543 176.094 -0.075 0.000 1.048 490 V CA 1.477 63.775 62.300 -0.002 0.000 1.049 490 V CB -0.748 31.060 31.823 -0.025 0.000 0.672 490 V HN 0.494 nan 8.190 nan 0.000 0.457 491 L N -0.430 120.810 121.223 0.029 0.000 2.046 491 L HA -0.253 4.087 4.340 0.000 0.000 0.208 491 L C 2.711 179.459 176.870 -0.204 0.000 1.077 491 L CA 1.815 56.658 54.840 0.004 0.000 0.747 491 L CB -0.806 41.399 42.059 0.243 0.000 0.896 491 L HN 0.533 nan 8.230 nan 0.000 0.432 492 C N 0.344 119.248 119.300 -0.659 0.000 2.425 492 C HA -0.175 4.285 4.460 0.000 0.000 0.277 492 C C 2.597 177.442 174.990 -0.242 0.000 1.280 492 C CA 1.133 59.630 59.018 -0.867 0.000 1.744 492 C CB -0.586 26.248 27.740 -1.511 0.000 1.989 492 C HN 0.522 nan 8.230 nan 0.000 0.491 493 E N -0.660 119.446 120.200 -0.157 0.000 2.110 493 E HA -0.195 4.155 4.350 0.000 0.000 0.193 493 E C 2.264 178.722 176.600 -0.237 0.000 0.988 493 E CA 1.819 58.082 56.400 -0.229 0.000 0.804 493 E CB -0.137 29.371 29.700 -0.319 0.000 0.745 493 E HN 0.792 nan 8.360 nan 0.000 0.458 494 C N -0.126 119.020 119.300 -0.257 0.000 2.429 494 C HA -0.137 4.324 4.460 0.000 0.000 0.277 494 C C 2.326 177.069 174.990 -0.411 0.000 1.262 494 C CA 0.509 59.342 59.018 -0.308 0.000 1.733 494 C CB -1.031 26.490 27.740 -0.365 0.000 2.010 494 C HN 0.504 nan 8.230 nan 0.000 0.483 495 Y N 0.638 120.639 120.300 -0.498 0.000 2.293 495 Y HA -0.162 4.388 4.550 0.000 0.000 0.291 495 Y C 2.443 177.784 175.900 -0.932 0.000 1.137 495 Y CA 1.806 59.435 58.100 -0.785 0.000 1.202 495 Y CB -0.504 37.207 38.460 -1.250 0.000 0.990 495 Y HN 0.425 nan 8.280 nan 0.000 0.537 496 D N -0.103 119.942 120.400 -0.591 0.000 2.084 496 D HA -0.192 4.448 4.640 0.000 0.000 0.194 496 D C 2.262 178.516 176.300 -0.077 0.000 0.990 496 D CA 1.381 55.292 54.000 -0.147 0.000 0.826 496 D CB 0.059 40.943 40.800 0.140 0.000 0.971 496 D HN 0.340 nan 8.370 nan 0.000 0.453 497 A N 0.709 123.491 122.820 -0.064 0.000 1.930 497 A HA -0.030 4.290 4.320 0.000 0.000 0.217 497 A C 2.372 179.944 177.584 -0.020 0.000 1.175 497 A CA 2.083 54.150 52.037 0.051 0.000 0.627 497 A CB -1.099 17.945 19.000 0.073 0.000 0.815 497 A HN 0.376 nan 8.150 nan 0.000 0.443 498 G N -0.794 107.980 108.800 -0.043 0.000 2.446 498 G HA2 -0.300 3.660 3.960 0.000 0.000 0.217 498 G HA3 -0.300 3.660 3.960 0.000 0.000 0.217 498 G C 1.591 176.458 174.900 -0.055 0.000 1.168 498 G CA 1.408 46.515 45.100 0.011 0.000 0.771 498 G HN 0.524 nan 8.290 nan 0.000 0.551 499 C N 0.525 119.711 119.300 -0.190 0.000 2.466 499 C HA 0.339 4.799 4.460 0.000 0.000 0.278 499 C C 3.498 178.437 174.990 -0.085 0.000 1.288 499 C CA 0.809 59.674 59.018 -0.254 0.000 1.722 499 C CB -0.730 26.550 27.740 -0.767 0.000 2.017 499 C HN 0.561 nan 8.230 nan 0.000 0.488 500 A N -1.310 121.479 122.820 -0.051 0.000 1.935 500 A HA -0.013 4.307 4.320 0.000 0.000 0.214 500 A C 1.725 179.055 177.584 -0.423 0.000 1.178 500 A CA 0.942 52.899 52.037 -0.133 0.000 0.640 500 A CB -0.483 18.382 19.000 -0.225 0.000 0.825 500 A HN 0.751 nan 8.150 nan 0.000 0.447 501 W N -2.663 118.445 121.300 -0.320 0.000 2.798 501 W HA 0.210 4.870 4.660 0.000 0.000 0.260 501 W C 0.907 177.129 176.519 -0.494 0.000 1.165 501 W CA 0.121 57.139 57.345 -0.547 0.000 1.501 501 W CB 0.108 28.944 29.460 -1.040 0.000 1.023 501 W HN 0.301 nan 8.180 nan 0.000 0.615 502 Y N 1.499 121.918 120.300 0.198 0.000 2.625 502 Y HA 0.179 4.729 4.550 0.000 0.000 0.285 502 Y C 0.364 176.285 175.900 0.035 0.000 1.168 502 Y CA -0.931 57.223 58.100 0.090 0.000 1.250 502 Y CB -1.544 36.939 38.460 0.039 0.000 1.130 502 Y HN 0.088 nan 8.280 nan 0.000 0.526 503 E N 0.035 120.305 120.200 0.117 0.000 2.257 503 E HA -0.256 4.094 4.350 0.000 0.000 0.224 503 E C -0.750 175.888 176.600 0.062 0.000 1.286 503 E CA 0.259 56.703 56.400 0.073 0.000 0.716 503 E CB -2.070 27.671 29.700 0.069 0.000 1.159 503 E HN 0.516 nan 8.360 nan 0.000 0.367 504 L N 1.164 122.424 121.223 0.060 0.000 2.307 504 L HA 0.279 4.619 4.340 0.000 0.000 0.282 504 L C 1.298 178.169 176.870 0.001 0.000 1.051 504 L CA -0.534 54.321 54.840 0.026 0.000 0.804 504 L CB 1.231 43.299 42.059 0.015 0.000 1.197 504 L HN 0.126 nan 8.230 nan 0.000 0.431 505 T N -0.575 113.985 114.554 0.010 0.000 2.813 505 T HA 0.196 4.546 4.350 0.000 0.000 0.297 505 T C -1.932 172.791 174.700 0.038 0.000 1.036 505 T CA -1.482 60.631 62.100 0.022 0.000 1.044 505 T CB 1.129 70.016 68.868 0.031 0.000 0.993 505 T HN 0.335 nan 8.240 nan 0.000 0.535 506 P HA -0.057 nan 4.420 nan 0.000 0.215 506 P C 1.778 179.202 177.300 0.206 0.000 1.157 506 P CA 1.629 64.856 63.100 0.213 0.000 0.868 506 P CB -0.346 31.493 31.700 0.233 0.000 0.788 507 A N 0.085 122.984 122.820 0.131 0.000 1.892 507 A HA -0.294 4.027 4.320 0.000 0.000 0.218 507 A C 2.141 179.764 177.584 0.066 0.000 1.188 507 A CA 2.069 54.167 52.037 0.103 0.000 0.631 507 A CB -1.397 17.645 19.000 0.070 0.000 0.822 507 A HN 0.213 nan 8.150 nan 0.000 0.447 508 E N -1.088 119.132 120.200 0.034 0.000 2.077 508 E HA -0.129 4.221 4.350 0.000 0.000 0.193 508 E C 2.090 178.669 176.600 -0.036 0.000 0.989 508 E CA 1.558 57.958 56.400 0.000 0.000 0.800 508 E CB -0.343 29.352 29.700 -0.008 0.000 0.746 508 E HN 0.616 nan 8.360 nan 0.000 0.452 509 T N 0.444 114.951 114.554 -0.078 0.000 2.788 509 T HA -0.135 4.215 4.350 0.000 0.000 0.268 509 T C 2.118 176.699 174.700 -0.198 0.000 1.044 509 T CA 1.226 63.184 62.100 -0.237 0.000 1.139 509 T CB -0.183 68.368 68.868 -0.529 0.000 0.867 509 T HN 0.036 nan 8.240 nan 0.000 0.454 510 S N 0.695 116.383 115.700 -0.021 0.000 2.359 510 S HA -0.107 4.363 4.470 0.000 0.000 0.224 510 S C 2.310 176.944 174.600 0.055 0.000 1.035 510 S CA 0.977 59.236 58.200 0.099 0.000 1.018 510 S CB -0.498 62.819 63.200 0.194 0.000 0.876 510 S HN 0.302 nan 8.310 nan 0.000 0.448 511 V N 1.907 121.841 119.914 0.034 0.000 2.255 511 V HA -0.237 3.883 4.120 0.000 0.000 0.247 511 V C 2.396 178.503 176.094 0.022 0.000 1.051 511 V CA 1.903 64.220 62.300 0.029 0.000 1.018 511 V CB -0.680 31.152 31.823 0.015 0.000 0.641 511 V HN 0.389 nan 8.190 nan 0.000 0.445 512 R N -0.270 120.225 120.500 -0.008 0.000 2.081 512 R HA -0.079 4.261 4.340 0.000 0.000 0.235 512 R C 2.290 178.606 176.300 0.026 0.000 1.131 512 R CA 1.382 57.482 56.100 -0.001 0.000 0.960 512 R CB -0.459 29.817 30.300 -0.040 0.000 0.856 512 R HN 0.418 nan 8.270 nan 0.000 0.436 513 L N 0.150 121.365 121.223 -0.012 0.000 2.093 513 L HA -0.121 4.219 4.340 0.000 0.000 0.208 513 L C 2.672 179.619 176.870 0.128 0.000 1.085 513 L CA 1.054 55.911 54.840 0.028 0.000 0.755 513 L CB -0.410 41.638 42.059 -0.018 0.000 0.904 513 L HN 0.156 nan 8.230 nan 0.000 0.435 514 R N 0.212 120.774 120.500 0.104 0.000 2.105 514 R HA -0.168 4.172 4.340 0.000 0.000 0.239 514 R C 2.302 178.669 176.300 0.110 0.000 1.135 514 R CA 1.566 57.732 56.100 0.109 0.000 0.967 514 R CB -0.511 29.838 30.300 0.082 0.000 0.861 514 R HN 0.376 nan 8.270 nan 0.000 0.442 515 A N -0.047 122.835 122.820 0.103 0.000 1.902 515 A HA -0.215 4.105 4.320 0.000 0.000 0.217 515 A C 2.018 179.670 177.584 0.113 0.000 1.181 515 A CA 1.195 53.286 52.037 0.090 0.000 0.623 515 A CB -0.731 18.315 19.000 0.077 0.000 0.818 515 A HN 0.429 nan 8.150 nan 0.000 0.443 516 Y N 0.029 120.348 120.300 0.032 0.000 2.070 516 Y HA -0.205 4.345 4.550 0.000 0.000 0.280 516 Y C 2.031 177.963 175.900 0.054 0.000 1.148 516 Y CA 1.927 60.050 58.100 0.040 0.000 1.125 516 Y CB -0.413 38.068 38.460 0.035 0.000 0.975 516 Y HN 0.203 nan 8.280 nan 0.000 0.492 517 L N 1.022 122.452 121.223 0.345 0.000 2.012 517 L HA -0.283 4.057 4.340 0.000 0.000 0.210 517 L C 2.036 178.946 176.870 0.066 0.000 1.073 517 L CA 1.796 56.765 54.840 0.216 0.000 0.748 517 L CB -1.409 40.756 42.059 0.177 0.000 0.891 517 L HN 0.329 nan 8.230 nan 0.000 0.431 518 N N -1.100 117.633 118.700 0.055 0.000 2.309 518 N HA -0.071 4.669 4.740 0.000 0.000 0.182 518 N C 0.376 175.880 175.510 -0.010 0.000 1.018 518 N CA 0.640 53.702 53.050 0.019 0.000 0.876 518 N CB -0.359 38.145 38.487 0.028 0.000 0.972 518 N HN 0.334 nan 8.380 nan 0.000 0.434 519 T N 3.412 117.944 114.554 -0.036 0.000 2.814 519 T HA 0.260 4.610 4.350 0.000 0.000 0.297 519 T C -2.347 172.308 174.700 -0.074 0.000 0.956 519 T CA -1.110 60.955 62.100 -0.058 0.000 1.123 519 T CB 1.482 70.294 68.868 -0.093 0.000 0.902 519 T HN 0.048 nan 8.240 nan 0.000 0.528 520 P HA 0.366 nan 4.420 nan 0.000 0.274 520 P C 1.076 178.383 177.300 0.011 0.000 1.237 520 P CA 0.162 63.249 63.100 -0.022 0.000 0.793 520 P CB 0.401 32.094 31.700 -0.011 0.000 0.977 521 G N -0.181 108.554 108.800 -0.109 0.000 2.176 521 G HA2 -0.213 3.747 3.960 0.000 0.000 0.253 521 G HA3 -0.213 3.747 3.960 0.000 0.000 0.253 521 G C -0.139 174.712 174.900 -0.082 0.000 0.979 521 G CA -0.188 44.770 45.100 -0.237 0.000 0.641 521 G HN 0.433 nan 8.290 nan 0.000 0.530 522 L N 0.690 121.872 121.223 -0.069 0.000 2.358 522 L HA 0.516 4.857 4.340 0.000 0.000 0.268 522 L C -1.852 175.025 176.870 0.012 0.000 1.032 522 L CA -2.489 52.302 54.840 -0.081 0.000 0.805 522 L CB 1.277 43.108 42.059 -0.381 0.000 1.253 522 L HN -0.169 nan 8.230 nan 0.000 0.452 523 P HA -0.014 nan 4.420 nan 0.000 0.265 523 P C -0.864 176.611 177.300 0.292 0.000 1.187 523 P CA -0.054 63.214 63.100 0.279 0.000 0.766 523 P CB 0.508 32.483 31.700 0.458 0.000 0.820 524 V N 1.243 121.185 119.914 0.047 0.000 2.975 524 V HA 0.816 4.936 4.120 0.000 0.000 0.318 524 V C -0.311 175.425 176.094 -0.596 0.000 1.077 524 V CA -0.675 61.533 62.300 -0.153 0.000 1.000 524 V CB 1.757 33.511 31.823 -0.116 0.000 1.066 524 V HN 0.782 nan 8.190 nan 0.000 0.452 525 C N 1.342 120.282 119.300 -0.601 0.000 3.311 525 C HA 0.489 4.949 4.460 0.000 0.000 0.325 525 C C -0.773 173.987 174.990 -0.383 0.000 1.352 525 C CA -0.362 58.213 59.018 -0.738 0.000 1.308 525 C CB 1.909 28.873 27.740 -1.294 0.000 1.619 525 C HN 1.067 nan 8.230 nan 0.000 0.469 526 Q N 2.115 121.692 119.800 -0.371 0.000 2.352 526 Q HA 0.169 4.509 4.340 0.000 0.000 0.260 526 Q C -0.597 175.186 176.000 -0.362 0.000 0.976 526 Q CA 0.467 56.032 55.803 -0.397 0.000 0.881 526 Q CB 0.998 29.365 28.738 -0.618 0.000 1.235 526 Q HN 0.720 nan 8.270 nan 0.000 0.419 527 D N 1.639 121.921 120.400 -0.196 0.000 2.435 527 D HA 0.027 4.667 4.640 0.000 0.000 0.230 527 D C -0.270 176.102 176.300 0.120 0.000 1.215 527 D CA 0.165 54.155 54.000 -0.016 0.000 0.947 527 D CB -0.196 40.619 40.800 0.025 0.000 1.048 527 D HN 0.443 nan 8.370 nan 0.000 0.512 528 H N 3.198 122.375 119.070 0.177 0.000 2.475 528 H HA 0.104 4.660 4.556 0.000 0.000 0.276 528 H C 1.138 176.627 175.328 0.269 0.000 1.126 528 H CA -0.631 55.515 56.048 0.164 0.000 1.023 528 H CB 0.853 30.741 29.762 0.210 0.000 1.669 528 H HN 0.252 nan 8.280 nan 0.000 0.573 529 L N 0.944 122.383 121.223 0.360 0.000 1.989 529 L HA -0.189 4.151 4.340 0.000 0.000 0.211 529 L C 2.361 179.375 176.870 0.240 0.000 1.071 529 L CA 1.819 56.880 54.840 0.367 0.000 0.749 529 L CB -0.531 41.700 42.059 0.287 0.000 0.890 529 L HN 0.405 nan 8.230 nan 0.000 0.431 530 E N -1.537 118.757 120.200 0.156 0.000 2.110 530 E HA -0.274 4.076 4.350 0.000 0.000 0.193 530 E C 2.159 178.759 176.600 -0.000 0.000 0.988 530 E CA 1.130 57.575 56.400 0.076 0.000 0.804 530 E CB -0.181 29.553 29.700 0.057 0.000 0.745 530 E HN 0.392 nan 8.360 nan 0.000 0.458 531 F N -0.617 119.230 119.950 -0.172 0.000 2.113 531 F HA -0.153 4.374 4.527 0.000 0.000 0.297 531 F C 1.547 177.128 175.800 -0.365 0.000 1.103 531 F CA 1.568 59.350 58.000 -0.363 0.000 1.248 531 F CB -0.538 38.078 39.000 -0.640 0.000 0.999 531 F HN 0.075 nan 8.300 nan 0.000 0.475 532 W N 1.056 122.160 121.300 -0.327 0.000 2.358 532 W HA -0.134 4.526 4.660 0.000 0.000 0.303 532 W C 2.665 178.738 176.519 -0.742 0.000 1.208 532 W CA 1.343 58.330 57.345 -0.598 0.000 1.274 532 W CB -0.598 28.565 29.460 -0.495 0.000 1.138 532 W HN 0.116 nan 8.180 nan 0.000 0.515 533 E N 0.644 120.544 120.200 -0.499 0.000 2.097 533 E HA -0.300 4.050 4.350 0.000 0.000 0.196 533 E C 2.266 178.817 176.600 -0.081 0.000 1.000 533 E CA 2.208 58.444 56.400 -0.274 0.000 0.804 533 E CB -0.268 29.442 29.700 0.018 0.000 0.740 533 E HN 0.237 nan 8.360 nan 0.000 0.454 534 S N 0.132 115.751 115.700 -0.135 0.000 2.382 534 S HA -0.155 4.315 4.470 0.000 0.000 0.228 534 S C 2.199 176.807 174.600 0.013 0.000 1.027 534 S CA 1.311 59.473 58.200 -0.062 0.000 0.991 534 S CB -0.492 62.616 63.200 -0.153 0.000 0.823 534 S HN 0.318 nan 8.310 nan 0.000 0.469 535 V N -0.388 119.428 119.914 -0.164 0.000 2.548 535 V HA 0.107 4.227 4.120 0.000 0.000 0.249 535 V C 1.944 178.044 176.094 0.010 0.000 1.055 535 V CA 1.276 63.550 62.300 -0.042 0.000 1.065 535 V CB -0.968 30.739 31.823 -0.193 0.000 0.681 535 V HN 0.427 nan 8.190 nan 0.000 0.462 536 F N 1.468 121.405 119.950 -0.021 0.000 2.293 536 F HA 0.001 4.529 4.527 0.000 0.000 0.297 536 F C 2.594 178.377 175.800 -0.028 0.000 1.089 536 F CA 1.806 59.795 58.000 -0.018 0.000 1.377 536 F CB -0.697 38.278 39.000 -0.041 0.000 1.051 536 F HN 0.119 nan 8.300 nan 0.000 0.511 537 T N -0.863 113.780 114.554 0.150 0.000 2.803 537 T HA -0.173 4.177 4.350 0.000 0.000 0.269 537 T C 2.201 176.871 174.700 -0.050 0.000 1.052 537 T CA 1.436 63.580 62.100 0.073 0.000 1.136 537 T CB -0.750 68.175 68.868 0.095 0.000 0.864 537 T HN 0.446 nan 8.240 nan 0.000 0.467 538 G N 0.315 109.032 108.800 -0.139 0.000 2.777 538 G HA2 0.143 4.103 3.960 0.000 0.000 0.211 538 G HA3 0.143 4.103 3.960 0.000 0.000 0.211 538 G C 0.408 175.117 174.900 -0.320 0.000 1.149 538 G CA -0.181 44.606 45.100 -0.521 0.000 0.785 538 G HN 0.327 nan 8.290 nan 0.000 0.536 539 L N 3.389 124.459 121.223 -0.256 0.000 2.391 539 L HA 0.285 4.625 4.340 0.000 0.000 0.249 539 L C 0.967 177.785 176.870 -0.088 0.000 1.308 539 L CA -0.395 54.132 54.840 -0.521 0.000 1.209 539 L CB -0.773 40.976 42.059 -0.516 0.000 1.401 539 L HN 0.124 nan 8.230 nan 0.000 0.416 540 T N -2.979 111.617 114.554 0.070 0.000 2.943 540 T HA 0.440 4.790 4.350 0.000 0.000 0.284 540 T C 0.299 175.137 174.700 0.229 0.000 1.015 540 T CA -0.562 61.570 62.100 0.053 0.000 1.042 540 T CB 1.246 69.957 68.868 -0.261 0.000 1.055 540 T HN 0.498 nan 8.240 nan 0.000 0.500 541 H N -0.876 118.345 119.070 0.252 0.000 2.819 541 H HA -0.129 4.427 4.556 0.000 0.000 0.315 541 H C 0.015 175.395 175.328 0.087 0.000 1.242 541 H CA 0.290 56.427 56.048 0.148 0.000 1.157 541 H CB -1.697 28.124 29.762 0.099 0.000 1.451 541 H HN 0.783 nan 8.280 nan 0.000 0.430 542 I N 1.097 121.783 120.570 0.193 0.000 2.779 542 I HA -0.013 4.157 4.170 0.000 0.000 0.285 542 I C 0.912 177.005 176.117 -0.040 0.000 1.134 542 I CA 0.135 61.422 61.300 -0.022 0.000 1.398 542 I CB 0.571 38.558 38.000 -0.022 0.000 1.404 542 I HN 0.236 nan 8.210 nan 0.000 0.587 543 D N 5.043 125.377 120.400 -0.109 0.000 2.338 543 D HA 0.230 4.871 4.640 0.000 0.000 0.255 543 D C 0.972 177.207 176.300 -0.108 0.000 1.237 543 D CA 0.380 54.293 54.000 -0.144 0.000 0.883 543 D CB 1.349 41.964 40.800 -0.308 0.000 1.087 543 D HN 0.607 nan 8.370 nan 0.000 0.485 544 A N 4.425 127.207 122.820 -0.064 0.000 1.948 544 A HA -0.279 4.041 4.320 0.000 0.000 0.220 544 A C 2.006 179.581 177.584 -0.015 0.000 1.177 544 A CA 1.549 53.570 52.037 -0.026 0.000 0.636 544 A CB -0.796 18.203 19.000 -0.003 0.000 0.815 544 A HN 0.913 nan 8.150 nan 0.000 0.449 545 H N -2.053 116.921 119.070 -0.160 0.000 2.363 545 H HA -0.107 4.450 4.556 0.000 0.000 0.301 545 H C 1.756 177.081 175.328 -0.005 0.000 1.074 545 H CA 1.624 57.595 56.048 -0.128 0.000 1.354 545 H CB -0.105 29.536 29.762 -0.202 0.000 1.397 545 H HN 0.454 nan 8.280 nan 0.000 0.516 546 F N 0.690 120.512 119.950 -0.214 0.000 2.146 546 F HA -0.148 4.380 4.527 0.000 0.000 0.298 546 F C 2.547 178.223 175.800 -0.207 0.000 1.096 546 F CA 0.462 58.319 58.000 -0.239 0.000 1.275 546 F CB -1.021 37.905 39.000 -0.123 0.000 1.008 546 F HN 0.185 nan 8.300 nan 0.000 0.480 547 L N -0.460 120.768 121.223 0.008 0.000 2.083 547 L HA -0.168 4.172 4.340 0.000 0.000 0.209 547 L C 2.552 179.342 176.870 -0.133 0.000 1.083 547 L CA 1.884 56.677 54.840 -0.078 0.000 0.752 547 L CB -1.137 40.864 42.059 -0.097 0.000 0.899 547 L HN 0.143 nan 8.230 nan 0.000 0.433 548 S N -1.312 114.314 115.700 -0.123 0.000 2.383 548 S HA -0.204 4.266 4.470 0.000 0.000 0.227 548 S C 1.894 176.424 174.600 -0.117 0.000 1.026 548 S CA 1.338 59.461 58.200 -0.128 0.000 0.981 548 S CB -0.189 62.978 63.200 -0.054 0.000 0.818 548 S HN 0.699 nan 8.310 nan 0.000 0.472 549 Q N 0.190 119.905 119.800 -0.142 0.000 2.123 549 Q HA -0.070 4.270 4.340 0.000 0.000 0.199 549 Q C 2.466 178.433 176.000 -0.055 0.000 0.966 549 Q CA 1.790 57.537 55.803 -0.092 0.000 0.845 549 Q CB -0.520 28.148 28.738 -0.117 0.000 0.907 549 Q HN 0.860 nan 8.270 nan 0.000 0.439 550 T N -0.814 113.701 114.554 -0.065 0.000 2.857 550 T HA -0.068 4.282 4.350 0.000 0.000 0.266 550 T C 1.673 176.356 174.700 -0.029 0.000 1.048 550 T CA 0.849 62.921 62.100 -0.047 0.000 1.139 550 T CB -0.049 68.792 68.868 -0.046 0.000 0.874 550 T HN 0.117 nan 8.240 nan 0.000 0.455 551 K N 0.702 121.033 120.400 -0.114 0.000 2.057 551 K HA -0.068 4.252 4.320 0.000 0.000 0.207 551 K C 2.722 179.401 176.600 0.131 0.000 1.049 551 K CA 1.275 57.476 56.287 -0.143 0.000 0.931 551 K CB -0.187 31.863 32.500 -0.749 0.000 0.714 551 K HN 0.273 nan 8.250 nan 0.000 0.440 552 Q N 0.760 120.598 119.800 0.063 0.000 2.167 552 Q HA -0.069 4.272 4.340 0.000 0.000 0.202 552 Q C 1.849 177.911 176.000 0.103 0.000 0.970 552 Q CA 1.463 57.339 55.803 0.121 0.000 0.855 552 Q CB -0.002 28.780 28.738 0.072 0.000 0.911 552 Q HN 0.307 nan 8.270 nan 0.000 0.438 553 A N -0.417 122.442 122.820 0.065 0.000 2.121 553 A HA 0.096 4.416 4.320 0.000 0.000 0.218 553 A C 1.691 179.310 177.584 0.058 0.000 1.154 553 A CA 1.492 53.557 52.037 0.047 0.000 0.679 553 A CB -0.582 18.426 19.000 0.013 0.000 0.795 553 A HN 0.603 nan 8.150 nan 0.000 0.458 554 G N 0.112 108.972 108.800 0.099 0.000 2.205 554 G HA2 -0.339 3.621 3.960 0.000 0.000 0.261 554 G HA3 -0.339 3.621 3.960 0.000 0.000 0.261 554 G C 0.088 175.020 174.900 0.054 0.000 0.980 554 G CA 0.450 45.604 45.100 0.091 0.000 0.632 554 G HN 0.943 nan 8.290 nan 0.000 0.533 555 D N 0.148 120.568 120.400 0.033 0.000 2.364 555 D HA 0.006 4.646 4.640 0.000 0.000 0.236 555 D C 1.173 177.477 176.300 0.007 0.000 1.221 555 D CA 0.502 54.505 54.000 0.006 0.000 0.891 555 D CB 0.349 41.135 40.800 -0.023 0.000 1.190 555 D HN 0.378 nan 8.370 nan 0.000 0.449 556 N N -0.767 117.929 118.700 -0.006 0.000 2.142 556 N HA -0.094 4.646 4.740 0.000 0.000 0.186 556 N C -0.037 175.278 175.510 -0.324 0.000 1.023 556 N CA 0.786 53.756 53.050 -0.133 0.000 0.852 556 N CB -0.015 38.416 38.487 -0.093 0.000 0.998 556 N HN 0.339 nan 8.380 nan 0.000 0.424 557 F N 0.444 120.412 119.950 0.031 0.000 2.449 557 F HA 0.325 4.852 4.527 0.000 0.000 0.329 557 F C -1.710 174.148 175.800 0.096 0.000 1.245 557 F CA -1.960 56.090 58.000 0.084 0.000 1.193 557 F CB 1.511 40.560 39.000 0.081 0.000 1.425 557 F HN -0.054 nan 8.300 nan 0.000 0.544 558 P HA -0.299 nan 4.420 nan 0.000 0.216 558 P C 1.597 178.994 177.300 0.161 0.000 1.157 558 P CA 1.836 65.002 63.100 0.110 0.000 0.880 558 P CB 0.159 31.888 31.700 0.049 0.000 0.791 559 Y N 0.430 120.826 120.300 0.159 0.000 2.133 559 Y HA -0.116 4.434 4.550 0.000 0.000 0.287 559 Y C 2.675 178.770 175.900 0.325 0.000 1.134 559 Y CA 1.424 59.669 58.100 0.241 0.000 1.133 559 Y CB -0.974 37.674 38.460 0.312 0.000 0.987 559 Y HN -0.268 nan 8.280 nan 0.000 0.502 560 L N -1.322 120.211 121.223 0.517 0.000 2.046 560 L HA -0.247 4.093 4.340 0.000 0.000 0.208 560 L C 2.269 179.394 176.870 0.424 0.000 1.077 560 L CA 1.178 56.254 54.840 0.394 0.000 0.747 560 L CB -0.820 41.329 42.059 0.150 0.000 0.896 560 L HN 0.133 nan 8.230 nan 0.000 0.432 561 V N 0.105 120.186 119.914 0.279 0.000 2.261 561 V HA -0.277 3.844 4.120 0.000 0.000 0.246 561 V C 2.721 178.931 176.094 0.193 0.000 1.047 561 V CA 1.914 64.305 62.300 0.152 0.000 1.015 561 V CB -0.841 30.907 31.823 -0.124 0.000 0.642 561 V HN 0.483 nan 8.190 nan 0.000 0.446 562 A N -1.652 121.224 122.820 0.094 0.000 2.015 562 A HA -0.231 4.089 4.320 0.000 0.000 0.219 562 A C 2.117 179.726 177.584 0.041 0.000 1.163 562 A CA 1.721 53.784 52.037 0.044 0.000 0.646 562 A CB -0.689 18.307 19.000 -0.007 0.000 0.806 562 A HN 0.630 nan 8.150 nan 0.000 0.448 563 Y N 0.036 120.317 120.300 -0.031 0.000 2.220 563 Y HA -0.200 4.350 4.550 0.000 0.000 0.291 563 Y C 2.650 178.575 175.900 0.041 0.000 1.129 563 Y CA 2.181 60.270 58.100 -0.018 0.000 1.161 563 Y CB -0.164 38.299 38.460 0.005 0.000 0.997 563 Y HN 0.452 nan 8.280 nan 0.000 0.522 564 Q N 0.454 120.413 119.800 0.266 0.000 2.124 564 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 564 Q C 2.132 178.075 176.000 -0.095 0.000 0.977 564 Q CA 1.919 57.750 55.803 0.047 0.000 0.850 564 Q CB -0.539 28.272 28.738 0.121 0.000 0.901 564 Q HN 0.455 nan 8.270 nan 0.000 0.429 565 A N -0.635 122.188 122.820 0.004 0.000 1.969 565 A HA -0.141 4.179 4.320 0.000 0.000 0.218 565 A C 2.260 179.772 177.584 -0.121 0.000 1.169 565 A CA 1.771 53.696 52.037 -0.187 0.000 0.635 565 A CB -0.931 17.836 19.000 -0.389 0.000 0.810 565 A HN 0.499 nan 8.150 nan 0.000 0.445 566 T N 0.189 114.739 114.554 -0.007 0.000 2.674 566 T HA -0.141 4.209 4.350 0.000 0.000 0.265 566 T C 2.027 176.666 174.700 -0.102 0.000 1.039 566 T CA 2.166 64.285 62.100 0.032 0.000 1.150 566 T CB -0.761 67.940 68.868 -0.279 0.000 0.864 566 T HN 0.514 nan 8.240 nan 0.000 0.427 567 V N 0.150 119.919 119.914 -0.241 0.000 2.343 567 V HA -0.170 3.950 4.120 0.000 0.000 0.247 567 V C 2.655 178.659 176.094 -0.151 0.000 1.051 567 V CA 1.245 63.410 62.300 -0.224 0.000 1.036 567 V CB -1.799 29.759 31.823 -0.442 0.000 0.654 567 V HN 0.526 nan 8.190 nan 0.000 0.451 568 C N 1.223 120.414 119.300 -0.182 0.000 2.413 568 C HA -0.014 4.446 4.460 0.000 0.000 0.278 568 C C 3.367 178.317 174.990 -0.067 0.000 1.224 568 C CA 1.394 60.312 59.018 -0.167 0.000 1.732 568 C CB -1.553 26.028 27.740 -0.265 0.000 2.050 568 C HN 0.695 nan 8.230 nan 0.000 0.463 569 A N 0.118 122.938 122.820 -0.000 0.000 1.940 569 A HA -0.222 4.099 4.320 0.000 0.000 0.219 569 A C 2.163 179.792 177.584 0.075 0.000 1.176 569 A CA 1.675 53.774 52.037 0.103 0.000 0.631 569 A CB -0.547 18.661 19.000 0.346 0.000 0.814 569 A HN 0.693 nan 8.150 nan 0.000 0.446 570 R N -1.005 119.523 120.500 0.047 0.000 2.189 570 R HA 0.083 4.423 4.340 0.000 0.000 0.218 570 R C 1.842 178.161 176.300 0.032 0.000 1.074 570 R CA 0.856 56.975 56.100 0.032 0.000 0.991 570 R CB -0.179 30.135 30.300 0.023 0.000 0.883 570 R HN 0.480 nan 8.270 nan 0.000 0.457 571 A N 0.014 122.849 122.820 0.025 0.000 2.308 571 A HA 0.033 4.353 4.320 0.000 0.000 0.217 571 A C 0.312 177.910 177.584 0.024 0.000 1.216 571 A CA -0.140 51.914 52.037 0.028 0.000 0.864 571 A CB 0.209 19.225 19.000 0.026 0.000 0.902 571 A HN 0.304 nan 8.150 nan 0.000 0.499 572 Q N -1.877 117.939 119.800 0.027 0.000 2.475 572 Q HA -0.220 4.120 4.340 0.000 0.000 0.280 572 Q C 0.183 176.196 176.000 0.022 0.000 1.234 572 Q CA 0.481 56.307 55.803 0.039 0.000 0.873 572 Q CB -2.034 26.741 28.738 0.063 0.000 1.256 572 Q HN 0.928 nan 8.270 nan 0.000 0.475 573 A N -0.182 122.627 122.820 -0.019 0.000 2.330 573 A HA 0.860 5.180 4.320 0.000 0.000 0.329 573 A C -2.536 174.982 177.584 -0.110 0.000 1.135 573 A CA -1.630 50.375 52.037 -0.053 0.000 0.817 573 A CB 1.050 20.005 19.000 -0.075 0.000 1.269 573 A HN -0.011 nan 8.150 nan 0.000 0.469 574 P HA 0.353 nan 4.420 nan 0.000 0.276 574 P C -2.568 174.428 177.300 -0.507 0.000 1.244 574 P CA -1.305 61.655 63.100 -0.232 0.000 0.801 574 P CB 0.066 31.706 31.700 -0.100 0.000 1.006 575 P HA 0.137 nan 4.420 nan 0.000 0.274 575 P C -1.960 174.715 177.300 -1.042 0.000 1.260 575 P CA -1.437 61.005 63.100 -1.096 0.000 0.793 575 P CB -0.818 30.091 31.700 -1.319 0.000 1.048 576 P HA -0.081 nan 4.420 nan 0.000 0.221 576 P C 0.495 177.484 177.300 -0.518 0.000 1.145 576 P CA 1.516 64.191 63.100 -0.710 0.000 0.795 576 P CB 0.020 31.367 31.700 -0.587 0.000 0.775 577 S N -3.349 111.969 115.700 -0.636 0.000 2.636 577 S HA 0.323 4.793 4.470 0.000 0.000 0.268 577 S C -1.510 172.849 174.600 -0.402 0.000 1.159 577 S CA -0.896 57.111 58.200 -0.322 0.000 0.815 577 S CB -0.161 63.029 63.200 -0.017 0.000 1.130 577 S HN -0.027 nan 8.310 nan 0.000 0.471 578 W N 1.383 122.734 121.300 0.084 0.000 3.086 578 W HA 0.368 5.028 4.660 0.000 0.000 0.436 578 W C 0.448 177.055 176.519 0.147 0.000 0.939 578 W CA -0.387 57.024 57.345 0.110 0.000 2.108 578 W CB -0.075 29.410 29.460 0.042 0.000 1.093 578 W HN 0.818 nan 8.180 nan 0.000 0.783 579 D N -0.143 120.449 120.400 0.320 0.000 2.354 579 D HA -0.095 4.545 4.640 0.000 0.000 0.238 579 D C 1.789 178.175 176.300 0.144 0.000 1.250 579 D CA 0.563 54.687 54.000 0.207 0.000 0.911 579 D CB 1.155 42.052 40.800 0.162 0.000 1.163 579 D HN -0.111 nan 8.370 nan 0.000 0.456 580 Q N 0.984 120.816 119.800 0.053 0.000 2.170 580 Q HA -0.173 4.167 4.340 0.000 0.000 0.203 580 Q C 1.878 177.823 176.000 -0.091 0.000 0.976 580 Q CA 0.962 56.773 55.803 0.013 0.000 0.858 580 Q CB -0.379 28.355 28.738 -0.007 0.000 0.907 580 Q HN 0.696 nan 8.270 nan 0.000 0.433 581 M N -1.214 118.242 119.600 -0.240 0.000 2.192 581 M HA -0.206 4.274 4.480 0.000 0.000 0.259 581 M C 0.413 176.287 176.300 -0.710 0.000 1.071 581 M CA 1.683 56.659 55.300 -0.539 0.000 1.082 581 M CB -0.114 32.010 32.600 -0.794 0.000 1.373 581 M HN 0.198 nan 8.290 nan 0.000 0.408 582 W N 1.043 122.311 121.300 -0.054 0.000 3.223 582 W HA 0.194 4.854 4.660 0.000 0.000 0.389 582 W C 1.680 178.175 176.519 -0.040 0.000 1.118 582 W CA -0.472 56.800 57.345 -0.120 0.000 1.902 582 W CB -0.101 29.200 29.460 -0.265 0.000 1.094 582 W HN 0.237 nan 8.180 nan 0.000 0.666 583 K N 0.382 120.850 120.400 0.113 0.000 2.360 583 K HA -0.206 4.114 4.320 0.000 0.000 0.201 583 K C 1.580 178.248 176.600 0.112 0.000 1.046 583 K CA 1.607 57.979 56.287 0.143 0.000 0.940 583 K CB -1.074 31.474 32.500 0.079 0.000 0.748 583 K HN 0.406 nan 8.250 nan 0.000 0.465 584 C N -0.383 118.935 119.300 0.030 0.000 2.491 584 C HA 0.222 4.682 4.460 0.000 0.000 0.277 584 C C 1.686 176.669 174.990 -0.012 0.000 1.455 584 C CA -0.476 58.537 59.018 -0.008 0.000 1.758 584 C CB -0.820 26.854 27.740 -0.109 0.000 1.745 584 C HN 0.337 nan 8.230 nan 0.000 0.558 585 L N 0.277 121.532 121.223 0.054 0.000 2.664 585 L HA 0.389 4.729 4.340 0.000 0.000 0.233 585 L C 2.200 179.286 176.870 0.361 0.000 1.113 585 L CA 0.316 55.237 54.840 0.134 0.000 0.896 585 L CB -0.780 41.301 42.059 0.036 0.000 1.163 585 L HN 0.281 nan 8.230 nan 0.000 0.497 586 I N 0.758 121.551 120.570 0.372 0.000 2.185 586 I HA -0.385 3.785 4.170 0.000 0.000 0.246 586 I C 2.331 178.468 176.117 0.034 0.000 1.088 586 I CA 1.623 63.044 61.300 0.202 0.000 1.347 586 I CB -0.147 37.932 38.000 0.131 0.000 1.041 586 I HN 0.383 nan 8.210 nan 0.000 0.415 587 R N 0.282 120.832 120.500 0.083 0.000 2.339 587 R HA -0.060 4.280 4.340 0.000 0.000 0.199 587 R C 1.337 177.671 176.300 0.057 0.000 1.018 587 R CA 0.720 56.852 56.100 0.052 0.000 1.036 587 R CB -0.174 30.174 30.300 0.080 0.000 0.899 587 R HN 0.246 nan 8.270 nan 0.000 0.473 588 L N 0.753 122.033 121.223 0.095 0.000 2.616 588 L HA 0.220 4.561 4.340 0.000 0.000 0.229 588 L C 1.980 178.882 176.870 0.053 0.000 1.110 588 L CA 0.721 55.621 54.840 0.099 0.000 0.884 588 L CB -0.187 41.968 42.059 0.159 0.000 1.115 588 L HN 0.102 nan 8.230 nan 0.000 0.481 589 K N 0.927 121.315 120.400 -0.021 0.000 2.107 589 K HA -0.189 4.131 4.320 0.000 0.000 0.211 589 K C -0.559 175.944 176.600 -0.162 0.000 1.049 589 K CA 1.963 58.141 56.287 -0.181 0.000 0.927 589 K CB -0.587 31.567 32.500 -0.577 0.000 0.714 589 K HN 0.248 nan 8.250 nan 0.000 0.452 590 P HA -0.147 nan 4.420 nan 0.000 0.217 590 P C 1.110 178.385 177.300 -0.043 0.000 1.150 590 P CA 1.759 64.824 63.100 -0.059 0.000 0.832 590 P CB -0.244 31.446 31.700 -0.017 0.000 0.787 591 T N -3.827 110.707 114.554 -0.033 0.000 3.129 591 T HA 0.119 4.469 4.350 0.000 0.000 0.251 591 T C 0.658 175.280 174.700 -0.130 0.000 1.117 591 T CA -0.082 62.031 62.100 0.022 0.000 1.034 591 T CB -0.449 68.455 68.868 0.060 0.000 0.968 591 T HN -0.216 nan 8.240 nan 0.000 0.526 592 L N 2.536 123.557 121.223 -0.336 0.000 2.289 592 L HA 0.585 4.925 4.340 0.000 0.000 0.285 592 L C -0.494 176.004 176.870 -0.621 0.000 1.049 592 L CA -0.732 53.947 54.840 -0.267 0.000 0.804 592 L CB 0.722 42.775 42.059 -0.010 0.000 1.195 592 L HN 0.399 nan 8.230 nan 0.000 0.428 593 H N 0.605 119.707 119.070 0.053 0.000 3.016 593 H HA 0.745 5.301 4.556 0.000 0.000 0.362 593 H C 0.221 175.556 175.328 0.012 0.000 1.233 593 H CA -0.277 55.793 56.048 0.036 0.000 1.124 593 H CB 1.949 31.726 29.762 0.026 0.000 1.850 593 H HN 0.816 nan 8.280 nan 0.000 0.549 594 G N 0.786 109.664 108.800 0.130 0.000 2.685 594 G HA2 -0.130 3.830 3.960 0.000 0.000 0.387 594 G HA3 -0.130 3.830 3.960 0.000 0.000 0.387 594 G C -2.910 171.991 174.900 0.002 0.000 1.324 594 G CA -0.899 44.233 45.100 0.054 0.000 0.878 594 G HN 0.595 nan 8.290 nan 0.000 0.527 595 P HA 0.425 nan 4.420 nan 0.000 0.276 595 P C 0.235 177.481 177.300 -0.090 0.000 1.244 595 P CA 0.351 63.420 63.100 -0.053 0.000 0.801 595 P CB 1.205 32.879 31.700 -0.043 0.000 1.006 596 T N -0.246 114.222 114.554 -0.143 0.000 2.806 596 T HA 0.366 4.716 4.350 0.000 0.000 0.290 596 T C -2.329 172.261 174.700 -0.183 0.000 0.966 596 T CA -2.394 59.585 62.100 -0.202 0.000 1.060 596 T CB 0.276 68.951 68.868 -0.321 0.000 0.927 596 T HN 0.218 nan 8.240 nan 0.000 0.485 597 P HA 0.218 nan 4.420 nan 0.000 0.268 597 P C -0.359 176.794 177.300 -0.245 0.000 1.541 597 P CA -0.605 62.406 63.100 -0.149 0.000 1.093 597 P CB 0.065 31.701 31.700 -0.107 0.000 1.551 598 L N 4.113 125.199 121.223 -0.228 0.000 2.410 598 L HA 0.068 4.409 4.340 0.000 0.000 0.273 598 L C 1.052 177.729 176.870 -0.321 0.000 1.152 598 L CA 0.411 55.078 54.840 -0.289 0.000 0.855 598 L CB 0.188 42.114 42.059 -0.223 0.000 1.129 598 L HN 0.262 nan 8.230 nan 0.000 0.463 599 L N 5.111 126.016 121.223 -0.530 0.000 2.388 599 L HA 0.207 4.547 4.340 0.000 0.000 0.209 599 L C -0.552 175.905 176.870 -0.687 0.000 1.061 599 L CA -0.090 54.340 54.840 -0.683 0.000 0.834 599 L CB -0.148 41.246 42.059 -1.108 0.000 1.029 599 L HN 0.702 nan 8.230 nan 0.000 0.473 600 Y N -2.276 117.865 120.300 -0.266 0.000 2.818 600 Y HA 0.528 5.079 4.550 0.000 0.000 0.341 600 Y C -0.969 174.767 175.900 -0.273 0.000 1.283 600 Y CA -2.265 55.548 58.100 -0.478 0.000 1.075 600 Y CB 0.527 38.387 38.460 -1.000 0.000 1.370 600 Y HN -0.203 nan 8.280 nan 0.000 0.448 601 R N 0.793 121.285 120.500 -0.013 0.000 2.343 601 R HA 0.587 4.927 4.340 0.000 0.000 0.320 601 R C -0.887 175.480 176.300 0.112 0.000 0.956 601 R CA -0.708 55.428 56.100 0.060 0.000 0.836 601 R CB 1.629 31.942 30.300 0.022 0.000 1.151 601 R HN 0.548 nan 8.270 nan 0.000 0.450 602 L N 1.283 122.608 121.223 0.169 0.000 2.766 602 L HA 0.420 4.760 4.340 0.000 0.000 0.242 602 L C 0.703 177.633 176.870 0.100 0.000 1.136 602 L CA 0.412 55.317 54.840 0.109 0.000 0.933 602 L CB 0.787 42.944 42.059 0.164 0.000 1.241 602 L HN 0.931 nan 8.230 nan 0.000 0.522 603 G N -1.508 107.369 108.800 0.129 0.000 2.356 603 G HA2 0.470 4.430 3.960 0.000 0.000 0.281 603 G HA3 0.470 4.430 3.960 0.000 0.000 0.281 603 G C -1.435 173.526 174.900 0.101 0.000 1.246 603 G CA -0.160 45.005 45.100 0.109 0.000 0.889 603 G HN 0.071 nan 8.290 nan 0.000 0.486 604 A N -0.650 122.224 122.820 0.091 0.000 2.450 604 A HA 0.580 4.900 4.320 0.000 0.000 0.255 604 A C 0.007 177.618 177.584 0.045 0.000 1.096 604 A CA -0.080 51.993 52.037 0.060 0.000 0.778 604 A CB 0.572 19.604 19.000 0.053 0.000 1.031 604 A HN 1.388 nan 8.150 nan 0.000 0.494 605 V N 3.872 123.787 119.914 0.002 0.000 2.328 605 V HA 0.186 4.306 4.120 0.000 0.000 0.278 605 V C 0.713 176.777 176.094 -0.050 0.000 1.021 605 V CA -0.015 62.252 62.300 -0.055 0.000 0.838 605 V CB 0.781 32.558 31.823 -0.075 0.000 0.999 605 V HN 1.123 nan 8.190 nan 0.000 0.447 606 Q N 2.387 122.149 119.800 -0.063 0.000 2.392 606 Q HA 0.130 4.470 4.340 0.000 0.000 0.219 606 Q C 0.856 176.827 176.000 -0.048 0.000 0.895 606 Q CA 0.053 55.835 55.803 -0.034 0.000 0.929 606 Q CB 0.466 29.203 28.738 -0.002 0.000 1.077 606 Q HN 0.747 nan 8.270 nan 0.000 0.532 607 N N 1.339 119.980 118.700 -0.099 0.000 2.434 607 N HA -0.009 4.731 4.740 0.000 0.000 0.266 607 N C -0.693 174.766 175.510 -0.084 0.000 1.223 607 N CA -0.213 52.782 53.050 -0.092 0.000 0.972 607 N CB 0.766 39.160 38.487 -0.154 0.000 1.207 607 N HN -0.046 nan 8.380 nan 0.000 0.525 608 E N -0.196 119.967 120.200 -0.062 0.000 2.392 608 E HA 0.266 4.616 4.350 0.000 0.000 0.259 608 E C -0.127 176.425 176.600 -0.080 0.000 1.108 608 E CA -0.559 55.808 56.400 -0.055 0.000 0.916 608 E CB 0.587 30.267 29.700 -0.033 0.000 0.989 608 E HN 0.374 nan 8.360 nan 0.000 0.432 609 V N -2.126 117.745 119.914 -0.073 0.000 2.876 609 V HA 0.686 4.806 4.120 0.000 0.000 0.312 609 V C -0.314 175.741 176.094 -0.065 0.000 1.085 609 V CA -0.829 61.418 62.300 -0.089 0.000 0.945 609 V CB 1.888 33.646 31.823 -0.108 0.000 1.017 609 V HN 0.713 nan 8.190 nan 0.000 0.428 610 T N 2.773 117.288 114.554 -0.065 0.000 2.885 610 T HA 0.670 5.020 4.350 0.000 0.000 0.285 610 T C -0.354 174.324 174.700 -0.037 0.000 1.019 610 T CA -0.427 61.649 62.100 -0.039 0.000 1.010 610 T CB 1.375 70.228 68.868 -0.024 0.000 1.022 610 T HN 0.637 nan 8.240 nan 0.000 0.466 611 L N 4.260 125.471 121.223 -0.020 0.000 2.910 611 L HA 0.265 4.605 4.340 0.000 0.000 0.252 611 L C 2.327 179.206 176.870 0.015 0.000 1.195 611 L CA 0.461 55.295 54.840 -0.011 0.000 1.003 611 L CB -0.289 41.761 42.059 -0.016 0.000 1.328 611 L HN 0.934 nan 8.230 nan 0.000 0.540 612 T N -4.518 110.050 114.554 0.023 0.000 3.023 612 T HA -0.058 4.292 4.350 0.000 0.000 0.266 612 T C 1.130 175.855 174.700 0.042 0.000 1.093 612 T CA 0.170 62.285 62.100 0.024 0.000 1.129 612 T CB -0.380 68.493 68.868 0.009 0.000 0.899 612 T HN 0.236 nan 8.240 nan 0.000 0.491 613 H N 3.413 122.472 119.070 -0.017 0.000 3.034 613 H HA 0.064 4.620 4.556 0.000 0.000 0.324 613 H C -1.690 173.649 175.328 0.019 0.000 1.015 613 H CA -1.400 54.645 56.048 -0.005 0.000 1.429 613 H CB 1.197 30.947 29.762 -0.020 0.000 1.429 613 H HN 0.007 nan 8.280 nan 0.000 0.585 614 P HA -0.230 nan 4.420 nan 0.000 0.216 614 P C 1.777 179.196 177.300 0.198 0.000 1.154 614 P CA 1.080 64.163 63.100 -0.028 0.000 0.865 614 P CB 0.271 31.888 31.700 -0.140 0.000 0.789 615 I N -1.038 119.802 120.570 0.450 0.000 2.226 615 I HA -0.176 3.994 4.170 0.000 0.000 0.245 615 I C 1.980 178.255 176.117 0.263 0.000 1.100 615 I CA 1.874 63.389 61.300 0.358 0.000 1.374 615 I CB -2.017 36.182 38.000 0.332 0.000 1.057 615 I HN 0.042 nan 8.210 nan 0.000 0.413 616 T N 1.230 115.910 114.554 0.210 0.000 2.746 616 T HA -0.178 4.172 4.350 0.000 0.000 0.267 616 T C 1.925 176.685 174.700 0.100 0.000 1.039 616 T CA 1.356 63.508 62.100 0.086 0.000 1.142 616 T CB -0.160 68.726 68.868 0.030 0.000 0.866 616 T HN 0.342 nan 8.240 nan 0.000 0.444 617 K N 0.098 120.570 120.400 0.119 0.000 2.097 617 K HA -0.097 4.223 4.320 0.000 0.000 0.206 617 K C 2.108 178.768 176.600 0.098 0.000 1.049 617 K CA 1.244 57.583 56.287 0.086 0.000 0.933 617 K CB -0.296 32.248 32.500 0.073 0.000 0.717 617 K HN 0.411 nan 8.250 nan 0.000 0.442 618 Y N 1.548 121.872 120.300 0.039 0.000 2.163 618 Y HA -0.129 4.421 4.550 0.000 0.000 0.288 618 Y C 1.804 177.721 175.900 0.028 0.000 1.136 618 Y CA 1.289 59.407 58.100 0.030 0.000 1.147 618 Y CB -0.078 38.403 38.460 0.035 0.000 0.987 618 Y HN -0.094 nan 8.280 nan 0.000 0.509 619 I N -0.200 120.433 120.570 0.105 0.000 2.361 619 I HA -0.347 3.823 4.170 0.000 0.000 0.251 619 I C 2.397 178.502 176.117 -0.020 0.000 1.133 619 I CA 1.504 62.818 61.300 0.024 0.000 1.413 619 I CB -0.373 37.740 38.000 0.188 0.000 1.073 619 I HN 0.357 nan 8.210 nan 0.000 0.424 620 M N 0.340 119.940 119.600 -0.001 0.000 2.086 620 M HA -0.214 4.266 4.480 0.000 0.000 0.261 620 M C 2.571 178.840 176.300 -0.051 0.000 1.067 620 M CA 2.148 57.447 55.300 -0.002 0.000 1.116 620 M CB -0.434 32.168 32.600 0.004 0.000 1.348 620 M HN 0.314 nan 8.290 nan 0.000 0.407 621 A N -0.628 122.125 122.820 -0.111 0.000 1.940 621 A HA -0.197 4.123 4.320 0.000 0.000 0.219 621 A C 2.190 179.664 177.584 -0.184 0.000 1.176 621 A CA 1.712 53.663 52.037 -0.142 0.000 0.631 621 A CB -1.316 17.587 19.000 -0.163 0.000 0.814 621 A HN 0.649 nan 8.150 nan 0.000 0.446 622 C N -0.469 118.666 119.300 -0.274 0.000 2.419 622 C HA -0.072 4.388 4.460 0.000 0.000 0.283 622 C C 2.570 177.584 174.990 0.040 0.000 1.373 622 C CA 0.970 59.863 59.018 -0.208 0.000 1.781 622 C CB -1.122 26.403 27.740 -0.359 0.000 1.886 622 C HN 0.569 nan 8.230 nan 0.000 0.520 623 M N 0.732 120.358 119.600 0.042 0.000 2.549 623 M HA -0.036 4.444 4.480 0.000 0.000 0.260 623 M C 1.765 177.983 176.300 -0.138 0.000 1.076 623 M CA 1.012 56.303 55.300 -0.015 0.000 1.090 623 M CB -1.368 31.232 32.600 -0.000 0.000 1.418 623 M HN 0.252 nan 8.290 nan 0.000 0.486 624 S N 0.443 116.083 115.700 -0.101 0.000 2.631 624 S HA 0.326 4.797 4.470 0.000 0.000 0.217 624 S C 0.946 175.471 174.600 -0.125 0.000 0.958 624 S CA -0.184 57.949 58.200 -0.111 0.000 0.920 624 S CB -0.319 62.833 63.200 -0.080 0.000 0.776 624 S HN 0.460 nan 8.310 nan 0.000 0.517 625 A N 1.571 124.306 122.820 -0.142 0.000 2.366 625 A HA 0.333 4.653 4.320 0.000 0.000 0.249 625 A C -0.175 177.288 177.584 -0.203 0.000 1.084 625 A CA -0.508 51.448 52.037 -0.135 0.000 0.794 625 A CB 0.145 19.102 19.000 -0.072 0.000 1.034 625 A HN 0.155 nan 8.150 nan 0.000 0.491 626 D N 0.479 120.792 120.400 -0.145 0.000 2.401 626 D HA 0.390 5.030 4.640 0.000 0.000 0.254 626 D C -0.752 175.423 176.300 -0.208 0.000 1.192 626 D CA 0.629 54.545 54.000 -0.140 0.000 0.885 626 D CB 0.559 41.313 40.800 -0.076 0.000 1.147 626 D HN 0.136 nan 8.370 nan 0.000 0.478 627 L N 2.450 123.512 121.223 -0.268 0.000 2.356 627 L HA 0.271 4.611 4.340 0.000 0.000 0.277 627 L C 0.064 176.863 176.870 -0.119 0.000 0.996 627 L CA -0.599 54.017 54.840 -0.374 0.000 0.822 627 L CB 1.737 43.326 42.059 -0.784 0.000 1.256 627 L HN 0.327 nan 8.230 nan 0.000 0.413 628 E N 3.209 123.454 120.200 0.074 0.000 2.146 628 E HA 0.530 4.880 4.350 0.000 0.000 0.282 628 E C -1.116 175.590 176.600 0.176 0.000 0.989 628 E CA -0.450 56.009 56.400 0.098 0.000 0.799 628 E CB 1.330 31.064 29.700 0.058 0.000 1.088 628 E HN 0.444 nan 8.360 nan 0.000 0.397 629 V N 2.040 122.007 119.914 0.088 0.000 2.680 629 V HA 0.550 4.670 4.120 0.000 0.000 0.309 629 V C 0.258 176.321 176.094 -0.051 0.000 1.052 629 V CA -1.054 61.286 62.300 0.067 0.000 0.908 629 V CB 1.156 33.041 31.823 0.102 0.000 1.001 629 V HN 0.454 nan 8.190 nan 0.000 0.431 630 V N 2.067 121.882 119.914 -0.164 0.000 2.811 630 V HA 0.776 4.896 4.120 0.000 0.000 0.302 630 V C 0.464 176.443 176.094 -0.193 0.000 1.063 630 V CA 0.782 62.872 62.300 -0.351 0.000 1.088 630 V CB 0.537 31.864 31.823 -0.826 0.000 0.982 630 V HN 1.351 nan 8.190 nan 0.000 0.485 706 S N -1.326 114.370 115.700 -0.006 0.000 2.661 706 S HA 0.659 5.129 4.470 0.000 0.000 0.265 706 S C 0.370 174.947 174.600 -0.039 0.000 1.225 706 S CA -0.522 57.664 58.200 -0.023 0.000 0.986 706 S CB 1.585 64.740 63.200 -0.075 0.000 1.008 706 S HN 0.647 nan 8.310 nan 0.000 0.565 707 V N 1.644 121.506 119.914 -0.086 0.000 2.481 707 V HA 0.576 4.696 4.120 0.000 0.000 0.286 707 V C -0.092 175.870 176.094 -0.220 0.000 1.042 707 V CA -0.339 61.886 62.300 -0.125 0.000 0.928 707 V CB 1.463 33.217 31.823 -0.114 0.000 0.986 707 V HN 0.644 nan 8.190 nan 0.000 0.462 708 V N 5.606 125.399 119.914 -0.202 0.000 2.914 708 V HA 0.651 4.771 4.120 0.000 0.000 0.314 708 V C -0.509 175.460 176.094 -0.208 0.000 1.084 708 V CA -0.756 61.426 62.300 -0.197 0.000 0.963 708 V CB 2.063 33.806 31.823 -0.133 0.000 1.025 708 V HN 0.695 nan 8.190 nan 0.000 0.432 709 I N 4.774 125.229 120.570 -0.191 0.000 2.371 709 I HA 0.327 4.497 4.170 0.000 0.000 0.290 709 I C 0.854 176.895 176.117 -0.125 0.000 1.028 709 I CA -0.100 61.100 61.300 -0.167 0.000 1.345 709 I CB 1.799 39.709 38.000 -0.151 0.000 1.407 709 I HN 0.753 nan 8.210 nan 0.000 0.501 710 V N 2.336 122.180 119.914 -0.117 0.000 3.346 710 V HA 0.709 4.829 4.120 0.000 0.000 0.309 710 V C 0.412 176.466 176.094 -0.066 0.000 1.457 710 V CA 0.217 62.466 62.300 -0.085 0.000 1.069 710 V CB -0.168 31.606 31.823 -0.082 0.000 0.944 710 V HN 0.889 nan 8.190 nan 0.000 0.449 711 G N 0.758 109.516 108.800 -0.071 0.000 2.320 711 G HA2 0.628 4.589 3.960 0.000 0.000 0.296 711 G HA3 0.628 4.589 3.960 0.000 0.000 0.296 711 G C -1.416 173.449 174.900 -0.060 0.000 1.306 711 G CA -0.484 44.585 45.100 -0.052 0.000 0.836 711 G HN 0.795 nan 8.290 nan 0.000 0.517 712 R N -1.425 119.044 120.500 -0.052 0.000 2.692 712 R HA 0.676 5.017 4.340 0.000 0.000 0.269 712 R C -1.659 174.588 176.300 -0.088 0.000 1.030 712 R CA -1.024 55.035 56.100 -0.067 0.000 0.882 712 R CB 1.274 31.533 30.300 -0.067 0.000 1.250 712 R HN 0.455 nan 8.270 nan 0.000 0.465 713 I N 2.913 123.419 120.570 -0.108 0.000 2.339 713 I HA 0.347 4.517 4.170 0.000 0.000 0.290 713 I C -0.141 175.835 176.117 -0.235 0.000 0.994 713 I CA -1.099 60.111 61.300 -0.151 0.000 1.191 713 I CB 1.345 39.285 38.000 -0.100 0.000 1.343 713 I HN 0.561 nan 8.210 nan 0.000 0.458 714 I N 7.111 127.403 120.570 -0.463 0.000 2.353 714 I HA 0.384 4.554 4.170 0.000 0.000 0.293 714 I C 0.243 176.086 176.117 -0.457 0.000 0.992 714 I CA -0.593 60.364 61.300 -0.572 0.000 1.268 714 I CB 1.232 38.562 38.000 -1.117 0.000 1.387 714 I HN 0.324 nan 8.210 nan 0.000 0.478 715 L N 4.705 125.783 121.223 -0.242 0.000 2.334 715 L HA 0.451 4.791 4.340 0.000 0.000 0.272 715 L C 0.682 177.499 176.870 -0.088 0.000 1.020 715 L CA -0.689 54.066 54.840 -0.142 0.000 0.812 715 L CB 1.596 43.592 42.059 -0.104 0.000 1.264 715 L HN 0.664 nan 8.230 nan 0.000 0.439 716 S N -0.166 115.503 115.700 -0.051 0.000 2.572 716 S HA 0.207 4.677 4.470 0.000 0.000 0.279 716 S C 0.898 175.472 174.600 -0.043 0.000 1.341 716 S CA -0.205 57.983 58.200 -0.020 0.000 1.043 716 S CB 1.265 64.453 63.200 -0.020 0.000 0.887 716 S HN 0.829 nan 8.310 nan 0.000 0.516 717 G N 0.235 109.019 108.800 -0.026 0.000 3.088 717 G HA2 0.439 4.399 3.960 0.000 0.000 0.217 717 G HA3 0.439 4.399 3.960 0.000 0.000 0.217 717 G C 0.105 174.982 174.900 -0.038 0.000 1.159 717 G CA -0.195 44.884 45.100 -0.035 0.000 0.760 717 G HN 0.698 nan 8.290 nan 0.000 0.550 718 S N -2.409 113.269 115.700 -0.036 0.000 2.587 718 S HA 0.633 5.104 4.470 0.000 0.000 0.269 718 S C 0.244 174.819 174.600 -0.041 0.000 1.154 718 S CA 0.369 58.547 58.200 -0.037 0.000 0.824 718 S CB 1.119 64.306 63.200 -0.022 0.000 1.118 718 S HN 1.467 nan 8.310 nan 0.000 0.462 719 G N 2.047 110.821 108.800 -0.042 0.000 2.553 719 G HA2 -0.149 3.811 3.960 0.000 0.000 0.242 719 G HA3 -0.149 3.811 3.960 0.000 0.000 0.242 719 G C 0.194 175.051 174.900 -0.072 0.000 1.277 719 G CA 0.190 45.263 45.100 -0.045 0.000 0.910 719 G HN 1.884 nan 8.290 nan 0.000 0.576 720 S N 0.000 115.652 115.700 -0.080 0.000 2.498 720 S HA 0.000 4.470 4.470 0.000 0.000 0.327 720 S CA 0.000 58.122 58.200 -0.129 0.000 1.107 720 S CB 0.000 63.135 63.200 -0.109 0.000 0.593 720 S HN 0.000 nan 8.310 nan 0.000 0.517