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 1tqy_1_C DATA FIRST_RESID 3 DATA SEQUENCE RRVVITGVGV RAPGGNGTRQ FWELLTSGRT ATRRISFFDP SPYRSQVAAE DATA SEQUENCE ADFDPVAEGF GPRELDRMDR ASQFAVACAR EAFAASGLDP DTLDPARVGV DATA SEQUENCE SLGSAVAAAT SLEREYLLLS DSGRDWEVDA AWLSRHMFDY LVPSVMPAEV DATA SEQUENCE AWAVGAEGPV TMVSTGCTSG LDSVGNAVRA IEEGSADVMF AGAADTPITP DATA SEQUENCE IVVACFDAIR ATTARNDDPE HASRPFDGTR DGFVLAEGAA MFVLEDYDSA DATA SEQUENCE LARGARIHAE ISGYATRCNA YHMTGLKADG REMAETIRVA LDESRTDATD DATA SEQUENCE IDYINAHGSG TRQNDRHETA AYKRALGEHA RRTPVSSIKS MVGHSLGAIG DATA SEQUENCE SLEIAACVLA LEHGVVPPTA NLRTSDPECD LDYVPLEARE RKLRSVLTVG DATA SEQUENCE SGFGGFQSAM VLRDAETAGA A 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 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.317 176.300 0.029 0.000 0.893 3 R CA 0.000 56.118 56.100 0.030 0.000 0.921 3 R CB 0.000 30.316 30.300 0.026 0.000 0.687 4 R N 1.875 122.406 120.500 0.052 0.000 2.349 4 R HA 0.535 4.875 4.340 0.000 0.000 0.299 4 R C -0.750 175.572 176.300 0.036 0.000 1.027 4 R CA -0.738 55.377 56.100 0.026 0.000 0.958 4 R CB 1.752 32.058 30.300 0.010 0.000 1.047 4 R HN 0.199 nan 8.270 nan 0.000 0.468 5 V N 3.862 123.766 119.914 -0.017 0.000 2.495 5 V HA 0.472 4.592 4.120 0.000 0.000 0.298 5 V C 0.001 176.069 176.094 -0.044 0.000 1.031 5 V CA -0.759 61.530 62.300 -0.018 0.000 0.871 5 V CB 1.614 33.413 31.823 -0.040 0.000 0.988 5 V HN 0.607 nan 8.190 nan 0.000 0.432 6 V N 2.189 122.096 119.914 -0.011 0.000 3.074 6 V HA 0.684 4.804 4.120 0.000 0.000 0.314 6 V C -0.586 175.500 176.094 -0.014 0.000 1.117 6 V CA -1.018 61.272 62.300 -0.017 0.000 1.014 6 V CB 2.310 34.163 31.823 0.049 0.000 1.057 6 V HN 0.650 nan 8.190 nan 0.000 0.438 7 I N 2.300 122.872 120.570 0.003 0.000 2.321 7 I HA 0.404 4.574 4.170 0.000 0.000 0.291 7 I C 1.186 177.399 176.117 0.160 0.000 0.998 7 I CA 0.037 61.370 61.300 0.056 0.000 1.227 7 I CB 1.991 40.017 38.000 0.042 0.000 1.368 7 I HN 0.994 nan 8.210 nan 0.000 0.466 8 T N 0.747 115.387 114.554 0.143 0.000 3.001 8 T HA 0.331 4.681 4.350 0.000 0.000 0.251 8 T C 0.577 175.459 174.700 0.303 0.000 1.040 8 T CA -0.221 61.972 62.100 0.154 0.000 0.985 8 T CB 0.536 69.419 68.868 0.026 0.000 1.011 8 T HN 0.666 nan 8.240 nan 0.000 0.509 9 G N 0.335 109.283 108.800 0.246 0.000 2.733 9 G HA2 0.576 4.536 3.960 0.000 0.000 0.297 9 G HA3 0.576 4.536 3.960 0.000 0.000 0.297 9 G C -1.854 173.090 174.900 0.073 0.000 1.422 9 G CA -0.585 44.610 45.100 0.158 0.000 0.942 9 G HN 0.241 nan 8.290 nan 0.000 0.510 10 V N -0.092 119.802 119.914 -0.032 0.000 2.823 10 V HA 0.954 5.074 4.120 0.000 0.000 0.312 10 V C 0.385 176.398 176.094 -0.135 0.000 1.072 10 V CA -0.316 61.914 62.300 -0.116 0.000 0.937 10 V CB 2.185 33.941 31.823 -0.112 0.000 1.013 10 V HN 1.295 nan 8.190 nan 0.000 0.430 11 G N 1.280 109.927 108.800 -0.255 0.000 2.732 11 G HA2 0.642 4.602 3.960 0.000 0.000 0.295 11 G HA3 0.642 4.602 3.960 0.000 0.000 0.295 11 G C -1.813 172.939 174.900 -0.247 0.000 1.456 11 G CA -0.561 44.440 45.100 -0.166 0.000 1.050 11 G HN 0.851 nan 8.290 nan 0.000 0.525 12 V N 2.245 122.046 119.914 -0.189 0.000 2.925 12 V HA 0.963 5.083 4.120 0.000 0.000 0.311 12 V C -1.413 174.559 176.094 -0.204 0.000 1.104 12 V CA -1.295 60.844 62.300 -0.269 0.000 0.954 12 V CB 2.372 33.941 31.823 -0.424 0.000 1.022 12 V HN 0.659 nan 8.190 nan 0.000 0.427 13 R N 3.788 124.152 120.500 -0.227 0.000 2.850 13 R HA 0.820 5.160 4.340 0.000 0.000 0.266 13 R C -0.711 175.500 176.300 -0.149 0.000 1.782 13 R CA 0.465 56.442 56.100 -0.205 0.000 1.310 13 R CB 1.156 31.252 30.300 -0.340 0.000 1.337 13 R HN 1.170 nan 8.270 nan 0.000 0.546 14 A N 3.347 126.092 122.820 -0.125 0.000 2.384 14 A HA 0.873 5.193 4.320 0.000 0.000 0.312 14 A C -2.582 175.053 177.584 0.085 0.000 1.113 14 A CA -1.955 50.068 52.037 -0.023 0.000 0.779 14 A CB 1.150 20.076 19.000 -0.124 0.000 1.307 14 A HN 0.361 nan 8.150 nan 0.000 0.436 15 P HA 0.201 nan 4.420 nan 0.000 0.267 15 P C 0.886 178.263 177.300 0.128 0.000 1.209 15 P CA 1.728 64.903 63.100 0.127 0.000 0.763 15 P CB 0.770 32.533 31.700 0.105 0.000 0.816 16 G N 2.486 111.351 108.800 0.109 0.000 2.189 16 G HA2 -0.192 3.768 3.960 0.000 0.000 0.267 16 G HA3 -0.192 3.768 3.960 0.000 0.000 0.267 16 G C 0.487 175.473 174.900 0.144 0.000 0.975 16 G CA -0.023 45.139 45.100 0.104 0.000 0.644 16 G HN 0.940 nan 8.290 nan 0.000 0.537 17 G N -0.211 108.693 108.800 0.173 0.000 4.040 17 G HA2 0.454 4.414 3.960 0.000 0.000 0.328 17 G HA3 0.454 4.414 3.960 0.000 0.000 0.328 17 G C -0.470 174.497 174.900 0.112 0.000 1.503 17 G CA -0.066 45.172 45.100 0.231 0.000 0.909 17 G HN 0.294 nan 8.290 nan 0.000 0.495 18 N N 1.844 120.595 118.700 0.085 0.000 2.663 18 N HA 0.487 5.228 4.740 0.000 0.000 0.250 18 N C 0.543 176.080 175.510 0.045 0.000 1.129 18 N CA 1.016 54.089 53.050 0.037 0.000 0.995 18 N CB 0.612 39.117 38.487 0.031 0.000 1.324 18 N HN 0.933 nan 8.380 nan 0.000 0.512 19 G N 1.465 110.284 108.800 0.031 0.000 2.617 19 G HA2 -0.241 3.719 3.960 0.000 0.000 0.686 19 G HA3 -0.241 3.719 3.960 0.000 0.000 0.686 19 G C 0.876 175.856 174.900 0.132 0.000 1.214 19 G CA -0.142 44.988 45.100 0.049 0.000 0.796 19 G HN 0.425 nan 8.290 nan 0.000 0.654 20 T N -0.642 113.989 114.554 0.129 0.000 2.699 20 T HA -0.190 4.160 4.350 0.000 0.000 0.268 20 T C 2.314 177.182 174.700 0.280 0.000 1.036 20 T CA 2.021 64.260 62.100 0.232 0.000 1.147 20 T CB -0.196 68.748 68.868 0.126 0.000 0.862 20 T HN 0.661 nan 8.240 nan 0.000 0.446 21 R N 1.267 121.882 120.500 0.191 0.000 2.088 21 R HA -0.096 4.244 4.340 0.000 0.000 0.232 21 R C 2.691 179.103 176.300 0.187 0.000 1.136 21 R CA 2.048 58.254 56.100 0.175 0.000 0.926 21 R CB -1.186 29.184 30.300 0.116 0.000 0.837 21 R HN 0.668 nan 8.270 nan 0.000 0.429 22 Q N -0.256 119.643 119.800 0.165 0.000 2.124 22 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 22 Q C 1.994 178.125 176.000 0.217 0.000 0.977 22 Q CA 1.391 57.283 55.803 0.148 0.000 0.850 22 Q CB -0.187 28.624 28.738 0.122 0.000 0.901 22 Q HN 0.224 nan 8.270 nan 0.000 0.429 23 F N 0.053 120.069 119.950 0.110 0.000 2.069 23 F HA -0.244 4.283 4.527 0.000 0.000 0.298 23 F C 1.906 177.830 175.800 0.206 0.000 1.113 23 F CA 1.660 59.743 58.000 0.139 0.000 1.214 23 F CB -0.775 38.314 39.000 0.147 0.000 0.978 23 F HN 0.302 nan 8.300 nan 0.000 0.474 24 W N 1.436 122.683 121.300 -0.089 0.000 2.381 24 W HA -0.202 4.458 4.660 -0.000 0.000 0.301 24 W C 2.370 178.775 176.519 -0.189 0.000 1.205 24 W CA 1.531 58.736 57.345 -0.234 0.000 1.285 24 W CB -0.361 29.019 29.460 -0.134 0.000 1.133 24 W HN 0.240 nan 8.180 nan 0.000 0.521 25 E N 0.763 120.941 120.200 -0.037 0.000 2.097 25 E HA -0.312 4.038 4.350 0.000 0.000 0.196 25 E C 2.262 178.750 176.600 -0.187 0.000 1.000 25 E CA 1.782 58.101 56.400 -0.135 0.000 0.804 25 E CB -0.517 29.169 29.700 -0.024 0.000 0.740 25 E HN 0.273 nan 8.360 nan 0.000 0.454 26 L N 0.728 121.878 121.223 -0.121 0.000 1.994 26 L HA -0.166 4.174 4.340 0.000 0.000 0.208 26 L C 2.296 179.038 176.870 -0.214 0.000 1.071 26 L CA 1.499 56.273 54.840 -0.111 0.000 0.745 26 L CB -0.305 41.747 42.059 -0.011 0.000 0.892 26 L HN 0.213 nan 8.230 nan 0.000 0.431 27 L N -0.826 120.188 121.223 -0.348 0.000 2.017 27 L HA -0.204 4.136 4.340 0.000 0.000 0.208 27 L C 2.599 179.161 176.870 -0.513 0.000 1.073 27 L CA 1.886 56.470 54.840 -0.428 0.000 0.745 27 L CB -1.382 40.340 42.059 -0.562 0.000 0.894 27 L HN 0.522 nan 8.230 nan 0.000 0.432 28 T N -3.450 110.659 114.554 -0.741 0.000 2.867 28 T HA -0.130 4.220 4.350 0.000 0.000 0.268 28 T C 1.946 176.421 174.700 -0.374 0.000 1.057 28 T CA 1.141 62.833 62.100 -0.680 0.000 1.136 28 T CB -0.444 67.907 68.868 -0.862 0.000 0.874 28 T HN 0.428 nan 8.240 nan 0.000 0.466 29 S N 0.850 116.375 115.700 -0.293 0.000 2.522 29 S HA 0.326 4.796 4.470 0.000 0.000 0.227 29 S C 2.027 176.544 174.600 -0.137 0.000 0.986 29 S CA 0.516 58.609 58.200 -0.179 0.000 0.929 29 S CB -0.989 62.132 63.200 -0.132 0.000 0.769 29 S HN 1.333 nan 8.310 nan 0.000 0.529 30 G N 2.103 110.810 108.800 -0.155 0.000 2.153 30 G HA2 -0.329 3.631 3.960 0.000 0.000 0.252 30 G HA3 -0.329 3.631 3.960 0.000 0.000 0.252 30 G C 0.002 174.872 174.900 -0.050 0.000 0.994 30 G CA 0.260 45.301 45.100 -0.099 0.000 0.698 30 G HN 0.986 nan 8.290 nan 0.000 0.521 31 R N -0.204 120.266 120.500 -0.050 0.000 2.457 31 R HA 0.698 5.038 4.340 0.000 0.000 0.284 31 R C 0.565 176.862 176.300 -0.004 0.000 1.024 31 R CA -0.081 56.011 56.100 -0.013 0.000 1.025 31 R CB 0.756 31.047 30.300 -0.016 0.000 1.063 31 R HN 0.345 nan 8.270 nan 0.000 0.493 32 T N -1.543 113.018 114.554 0.012 0.000 2.874 32 T HA 0.512 4.862 4.350 0.000 0.000 0.281 32 T C 0.648 175.343 174.700 -0.008 0.000 0.994 32 T CA -0.451 61.651 62.100 0.004 0.000 1.015 32 T CB 1.682 70.546 68.868 -0.007 0.000 1.028 32 T HN 0.729 nan 8.240 nan 0.000 0.523 33 A N 1.085 123.906 122.820 0.002 0.000 2.589 33 A HA 0.436 4.756 4.320 0.000 0.000 0.283 33 A C 0.946 178.518 177.584 -0.019 0.000 1.187 33 A CA -0.316 51.724 52.037 0.005 0.000 0.957 33 A CB -0.431 18.596 19.000 0.046 0.000 1.175 33 A HN 1.038 nan 8.150 nan 0.000 0.532 34 T N -0.786 113.743 114.554 -0.042 0.000 2.889 34 T HA 0.753 5.103 4.350 0.000 0.000 0.291 34 T C 0.004 174.646 174.700 -0.097 0.000 0.995 34 T CA -0.489 61.572 62.100 -0.064 0.000 1.092 34 T CB 1.638 70.471 68.868 -0.057 0.000 0.954 34 T HN 0.295 nan 8.240 nan 0.000 0.506 35 R N 0.662 121.098 120.500 -0.107 0.000 2.829 35 R HA 0.447 4.787 4.340 0.000 0.000 0.267 35 R C -0.675 175.546 176.300 -0.132 0.000 1.051 35 R CA -1.044 54.986 56.100 -0.116 0.000 0.927 35 R CB 1.241 31.478 30.300 -0.106 0.000 1.292 35 R HN 0.771 nan 8.270 nan 0.000 0.445 36 R N 1.120 121.545 120.500 -0.126 0.000 2.438 36 R HA 0.279 4.619 4.340 0.000 0.000 0.287 36 R C 0.044 176.221 176.300 -0.206 0.000 1.077 36 R CA -0.295 55.721 56.100 -0.139 0.000 1.034 36 R CB 0.279 30.517 30.300 -0.103 0.000 0.993 36 R HN 0.475 nan 8.270 nan 0.000 0.459 37 I N 3.715 124.121 120.570 -0.273 0.000 2.741 37 I HA -0.158 4.012 4.170 0.000 0.000 0.288 37 I C 1.297 177.184 176.117 -0.383 0.000 1.192 37 I CA 0.696 61.735 61.300 -0.435 0.000 1.426 37 I CB 1.032 38.658 38.000 -0.623 0.000 1.367 37 I HN 0.796 nan 8.210 nan 0.000 0.563 38 S N 5.095 120.573 115.700 -0.370 0.000 2.540 38 S HA 0.106 4.576 4.470 0.000 0.000 0.222 38 S C 1.346 175.976 174.600 0.050 0.000 1.008 38 S CA -0.290 57.823 58.200 -0.145 0.000 0.939 38 S CB 0.009 63.171 63.200 -0.064 0.000 0.865 38 S HN 0.532 nan 8.310 nan 0.000 0.499 39 F N 2.931 122.811 119.950 -0.117 0.000 2.451 39 F HA 0.331 4.858 4.527 0.000 0.000 0.299 39 F C 0.745 176.677 175.800 0.219 0.000 1.101 39 F CA -1.018 57.017 58.000 0.059 0.000 1.436 39 F CB -0.963 38.128 39.000 0.151 0.000 1.074 39 F HN 0.420 nan 8.300 nan 0.000 0.553 40 F N -3.592 116.474 119.950 0.193 0.000 2.807 40 F HA 0.361 4.888 4.527 0.000 0.000 0.316 40 F C -1.124 174.743 175.800 0.113 0.000 1.162 40 F CA -2.292 55.789 58.000 0.134 0.000 0.910 40 F CB 0.456 39.532 39.000 0.126 0.000 1.314 40 F HN -0.345 nan 8.300 nan 0.000 0.454 41 D N 2.053 122.646 120.400 0.321 0.000 2.358 41 D HA 0.394 5.034 4.640 0.000 0.000 0.258 41 D C -1.973 174.523 176.300 0.327 0.000 1.223 41 D CA -1.984 52.136 54.000 0.200 0.000 0.886 41 D CB 1.432 42.340 40.800 0.180 0.000 1.120 41 D HN 0.287 nan 8.370 nan 0.000 0.482 42 P HA 0.045 nan 4.420 nan 0.000 0.245 42 P C 1.147 178.623 177.300 0.294 0.000 1.206 42 P CA 0.120 63.384 63.100 0.272 0.000 0.781 42 P CB 0.364 32.062 31.700 -0.004 0.000 0.994 43 S N 1.304 117.091 115.700 0.145 0.000 2.390 43 S HA -0.163 4.307 4.470 0.000 0.000 0.234 43 S C -0.406 174.175 174.600 -0.031 0.000 1.063 43 S CA 2.109 60.339 58.200 0.050 0.000 1.108 43 S CB -2.172 61.045 63.200 0.028 0.000 0.975 43 S HN 0.359 nan 8.310 nan 0.000 0.442 44 P HA -0.002 nan 4.420 nan 0.000 0.222 44 P C -0.199 176.799 177.300 -0.504 0.000 1.147 44 P CA 0.875 63.713 63.100 -0.436 0.000 0.790 44 P CB -0.009 31.265 31.700 -0.710 0.000 0.780 45 Y N -1.909 118.434 120.300 0.072 0.000 2.432 45 Y HA 0.378 4.928 4.550 0.000 0.000 0.322 45 Y C 2.119 178.040 175.900 0.036 0.000 1.246 45 Y CA -0.915 57.224 58.100 0.064 0.000 1.268 45 Y CB 0.545 39.071 38.460 0.110 0.000 1.276 45 Y HN -0.371 nan 8.280 nan 0.000 0.499 46 R N 0.279 120.893 120.500 0.190 0.000 2.057 46 R HA -0.040 4.300 4.340 0.000 0.000 0.229 46 R C 0.413 176.755 176.300 0.069 0.000 1.136 46 R CA 1.192 57.349 56.100 0.095 0.000 0.952 46 R CB -0.153 30.190 30.300 0.071 0.000 0.848 46 R HN 0.553 nan 8.270 nan 0.000 0.430 47 S N 0.384 116.127 115.700 0.072 0.000 2.410 47 S HA 0.142 4.612 4.470 0.000 0.000 0.304 47 S C -0.142 174.471 174.600 0.021 0.000 1.095 47 S CA -0.661 57.544 58.200 0.008 0.000 1.089 47 S CB 1.367 64.536 63.200 -0.052 0.000 0.968 47 S HN 0.373 nan 8.310 nan 0.000 0.480 48 Q N 3.009 122.808 119.800 -0.001 0.000 2.198 48 Q HA 0.216 4.556 4.340 0.000 0.000 0.209 48 Q C 0.121 176.066 176.000 -0.091 0.000 0.848 48 Q CA -0.247 55.541 55.803 -0.025 0.000 0.974 48 Q CB 0.646 29.385 28.738 0.002 0.000 1.115 48 Q HN 0.673 nan 8.270 nan 0.000 0.494 49 V N -2.818 117.041 119.914 -0.091 0.000 2.667 49 V HA 1.004 5.124 4.120 0.000 0.000 0.308 49 V C -0.498 175.526 176.094 -0.117 0.000 1.048 49 V CA -0.840 61.395 62.300 -0.109 0.000 0.928 49 V CB 1.597 33.369 31.823 -0.085 0.000 1.004 49 V HN 0.071 nan 8.190 nan 0.000 0.444 50 A N 2.558 125.297 122.820 -0.136 0.000 2.581 50 A HA 0.983 5.303 4.320 0.000 0.000 0.290 50 A C -0.527 176.989 177.584 -0.113 0.000 1.119 50 A CA -0.449 51.516 52.037 -0.120 0.000 0.670 50 A CB 1.312 20.208 19.000 -0.172 0.000 1.280 50 A HN 2.409 nan 8.150 nan 0.000 0.425 51 A N 0.871 123.650 122.820 -0.069 0.000 2.316 51 A HA 0.642 4.962 4.320 0.000 0.000 0.324 51 A C -0.453 177.108 177.584 -0.038 0.000 1.375 51 A CA -0.256 51.758 52.037 -0.037 0.000 0.882 51 A CB -0.099 18.913 19.000 0.021 0.000 1.152 51 A HN 0.640 nan 8.150 nan 0.000 0.512 52 E N 1.464 121.610 120.200 -0.091 0.000 2.216 52 E HA 0.553 4.903 4.350 0.000 0.000 0.279 52 E C 0.014 176.682 176.600 0.114 0.000 0.997 52 E CA -0.534 55.828 56.400 -0.063 0.000 0.817 52 E CB 1.887 31.363 29.700 -0.374 0.000 1.096 52 E HN 0.725 nan 8.360 nan 0.000 0.393 53 A N 2.492 125.477 122.820 0.275 0.000 2.310 53 A HA 0.167 4.487 4.320 0.000 0.000 0.299 53 A C -0.374 177.395 177.584 0.309 0.000 1.147 53 A CA -0.562 51.639 52.037 0.274 0.000 0.818 53 A CB 0.538 19.732 19.000 0.322 0.000 1.096 53 A HN 0.645 nan 8.150 nan 0.000 0.495 54 D N 1.548 122.075 120.400 0.212 0.000 2.470 54 D HA 0.324 4.964 4.640 0.000 0.000 0.226 54 D C -1.098 175.332 176.300 0.217 0.000 1.196 54 D CA 0.422 54.540 54.000 0.197 0.000 0.979 54 D CB -0.434 40.436 40.800 0.117 0.000 1.059 54 D HN 0.264 nan 8.370 nan 0.000 0.515 55 F N 2.402 122.404 119.950 0.088 0.000 2.410 55 F HA 0.300 4.827 4.527 -0.000 0.000 0.349 55 F C -0.178 175.655 175.800 0.054 0.000 1.117 55 F CA -1.093 56.917 58.000 0.016 0.000 1.104 55 F CB 1.283 40.316 39.000 0.054 0.000 1.122 55 F HN 0.077 nan 8.300 nan 0.000 0.483 56 D N 8.433 128.574 120.400 -0.431 0.000 2.458 56 D HA 0.336 4.976 4.640 0.000 0.000 0.258 56 D C -2.063 173.983 176.300 -0.422 0.000 1.134 56 D CA -2.527 51.302 54.000 -0.284 0.000 0.915 56 D CB 1.386 42.086 40.800 -0.167 0.000 1.028 56 D HN 0.185 nan 8.370 nan 0.000 0.508 57 P HA -0.225 nan 4.420 nan 0.000 0.217 57 P C 1.574 178.935 177.300 0.102 0.000 1.158 57 P CA 0.947 64.045 63.100 -0.003 0.000 0.887 57 P CB 0.387 32.166 31.700 0.132 0.000 0.792 58 V N -0.153 119.776 119.914 0.025 0.000 2.295 58 V HA -0.239 3.881 4.120 0.000 0.000 0.246 58 V C 2.476 178.541 176.094 -0.048 0.000 1.049 58 V CA 2.206 64.516 62.300 0.017 0.000 1.024 58 V CB -1.925 29.902 31.823 0.008 0.000 0.648 58 V HN 0.116 nan 8.190 nan 0.000 0.447 59 A N -0.471 122.294 122.820 -0.092 0.000 2.019 59 A HA -0.175 4.145 4.320 0.000 0.000 0.219 59 A C 2.148 179.636 177.584 -0.160 0.000 1.164 59 A CA 1.422 53.390 52.037 -0.115 0.000 0.644 59 A CB -0.371 18.557 19.000 -0.119 0.000 0.805 59 A HN 0.517 nan 8.150 nan 0.000 0.449 60 E N -1.340 118.733 120.200 -0.212 0.000 2.274 60 E HA 0.047 4.397 4.350 0.000 0.000 0.194 60 E C 1.373 177.740 176.600 -0.388 0.000 0.996 60 E CA 0.908 57.138 56.400 -0.284 0.000 0.840 60 E CB -0.203 29.340 29.700 -0.262 0.000 0.772 60 E HN 0.848 nan 8.360 nan 0.000 0.491 61 G N 0.619 109.240 108.800 -0.298 0.000 2.154 61 G HA2 -0.220 3.740 3.960 0.000 0.000 0.186 61 G HA3 -0.220 3.740 3.960 0.000 0.000 0.186 61 G C -0.045 174.678 174.900 -0.296 0.000 1.000 61 G CA -0.320 44.606 45.100 -0.289 0.000 0.664 61 G HN 0.143 nan 8.290 nan 0.000 0.513 62 F N 1.652 121.596 119.950 -0.009 0.000 2.456 62 F HA 0.533 5.060 4.527 0.000 0.000 0.358 62 F C 1.497 177.306 175.800 0.014 0.000 1.095 62 F CA 0.383 58.395 58.000 0.020 0.000 1.216 62 F CB 1.086 40.115 39.000 0.048 0.000 1.125 62 F HN 0.180 nan 8.300 nan 0.000 0.549 63 G N 2.932 111.851 108.800 0.198 0.000 2.580 63 G HA2 0.299 4.259 3.960 0.000 0.000 0.278 63 G HA3 0.299 4.259 3.960 0.000 0.000 0.278 63 G C -2.007 172.966 174.900 0.122 0.000 1.212 63 G CA -1.233 43.937 45.100 0.117 0.000 0.939 63 G HN 0.402 nan 8.290 nan 0.000 0.513 64 P HA -0.086 nan 4.420 nan 0.000 0.215 64 P C 1.961 179.309 177.300 0.079 0.000 1.153 64 P CA 1.074 64.219 63.100 0.074 0.000 0.853 64 P CB 0.166 31.899 31.700 0.056 0.000 0.788 65 R N -0.185 120.362 120.500 0.078 0.000 2.075 65 R HA -0.105 4.235 4.340 0.000 0.000 0.232 65 R C 2.286 178.632 176.300 0.076 0.000 1.126 65 R CA 1.342 57.492 56.100 0.084 0.000 0.963 65 R CB -0.587 29.756 30.300 0.072 0.000 0.858 65 R HN 0.343 nan 8.270 nan 0.000 0.435 66 E N 0.649 120.906 120.200 0.096 0.000 2.077 66 E HA -0.205 4.145 4.350 0.000 0.000 0.193 66 E C 2.002 178.613 176.600 0.018 0.000 0.989 66 E CA 1.022 57.480 56.400 0.097 0.000 0.800 66 E CB -0.112 29.729 29.700 0.234 0.000 0.746 66 E HN 0.155 nan 8.360 nan 0.000 0.452 67 L N 1.347 122.597 121.223 0.045 0.000 2.083 67 L HA -0.194 4.146 4.340 0.000 0.000 0.209 67 L C 2.281 179.151 176.870 -0.000 0.000 1.083 67 L CA 1.454 56.294 54.840 0.001 0.000 0.752 67 L CB -0.180 41.910 42.059 0.052 0.000 0.899 67 L HN 0.165 nan 8.230 nan 0.000 0.433 68 D N -0.699 119.724 120.400 0.039 0.000 2.183 68 D HA -0.208 4.432 4.640 0.000 0.000 0.203 68 D C 2.263 178.556 176.300 -0.012 0.000 0.969 68 D CA 0.846 54.897 54.000 0.086 0.000 0.842 68 D CB 0.305 41.201 40.800 0.159 0.000 0.957 68 D HN 0.283 nan 8.370 nan 0.000 0.484 69 R N -0.378 119.997 120.500 -0.208 0.000 2.052 69 R HA 0.043 4.383 4.340 0.000 0.000 0.224 69 R C 0.873 177.010 176.300 -0.272 0.000 1.149 69 R CA 0.295 55.995 56.100 -0.667 0.000 0.962 69 R CB 0.028 30.114 30.300 -0.357 0.000 0.856 69 R HN 0.073 nan 8.270 nan 0.000 0.433 70 M N 1.914 121.443 119.600 -0.118 0.000 2.217 70 M HA 0.122 4.602 4.480 0.000 0.000 0.354 70 M C -0.216 176.034 176.300 -0.082 0.000 1.225 70 M CA -0.305 54.958 55.300 -0.062 0.000 1.137 70 M CB 0.939 33.473 32.600 -0.111 0.000 1.576 70 M HN 0.044 nan 8.290 nan 0.000 0.461 71 D N 1.039 121.397 120.400 -0.070 0.000 2.357 71 D HA 0.080 4.720 4.640 0.000 0.000 0.242 71 D C 1.160 177.335 176.300 -0.208 0.000 1.153 71 D CA -0.125 53.754 54.000 -0.201 0.000 0.918 71 D CB 0.930 41.592 40.800 -0.231 0.000 1.181 71 D HN 0.618 nan 8.370 nan 0.000 0.435 72 R N 2.042 122.389 120.500 -0.255 0.000 2.113 72 R HA -0.254 4.086 4.340 0.000 0.000 0.244 72 R C 1.848 177.910 176.300 -0.395 0.000 1.142 72 R CA 1.840 57.761 56.100 -0.297 0.000 0.953 72 R CB -0.512 29.567 30.300 -0.368 0.000 0.860 72 R HN 0.586 nan 8.270 nan 0.000 0.438 73 A N -0.389 122.194 122.820 -0.394 0.000 2.019 73 A HA -0.119 4.201 4.320 0.000 0.000 0.219 73 A C 2.154 179.637 177.584 -0.169 0.000 1.164 73 A CA 1.837 53.657 52.037 -0.361 0.000 0.644 73 A CB -0.326 18.512 19.000 -0.269 0.000 0.805 73 A HN 0.417 nan 8.150 nan 0.000 0.449 74 S N -0.542 115.079 115.700 -0.131 0.000 2.371 74 S HA -0.149 4.321 4.470 0.000 0.000 0.224 74 S C 2.085 176.669 174.600 -0.025 0.000 1.029 74 S CA 1.313 59.476 58.200 -0.062 0.000 0.978 74 S CB -0.264 62.902 63.200 -0.057 0.000 0.833 74 S HN 0.720 nan 8.310 nan 0.000 0.466 75 Q N 0.048 119.783 119.800 -0.108 0.000 2.061 75 Q HA -0.126 4.215 4.340 0.000 0.000 0.204 75 Q C 1.769 177.916 176.000 0.246 0.000 0.984 75 Q CA 1.542 57.266 55.803 -0.133 0.000 0.846 75 Q CB -0.346 28.287 28.738 -0.176 0.000 0.902 75 Q HN 0.425 nan 8.270 nan 0.000 0.421 76 F N 0.500 120.282 119.950 -0.280 0.000 2.095 76 F HA -0.222 4.305 4.527 0.000 0.000 0.298 76 F C 2.382 178.158 175.800 -0.040 0.000 1.104 76 F CA 1.091 58.919 58.000 -0.286 0.000 1.232 76 F CB -1.018 37.752 39.000 -0.384 0.000 0.987 76 F HN 0.081 nan 8.300 nan 0.000 0.475 77 A N -0.187 122.733 122.820 0.167 0.000 1.858 77 A HA -0.137 4.183 4.320 0.000 0.000 0.216 77 A C 2.451 180.117 177.584 0.136 0.000 1.190 77 A CA 2.050 54.151 52.037 0.106 0.000 0.617 77 A CB -1.275 17.754 19.000 0.049 0.000 0.827 77 A HN 0.159 nan 8.150 nan 0.000 0.443 78 V N -0.017 120.015 119.914 0.196 0.000 2.287 78 V HA -0.277 3.843 4.120 0.000 0.000 0.248 78 V C 3.087 179.327 176.094 0.244 0.000 1.053 78 V CA 2.033 64.476 62.300 0.238 0.000 1.027 78 V CB -1.336 30.711 31.823 0.373 0.000 0.646 78 V HN 0.639 nan 8.190 nan 0.000 0.447 79 A N -1.011 122.023 122.820 0.356 0.000 1.892 79 A HA -0.307 4.013 4.320 0.000 0.000 0.218 79 A C 2.353 180.012 177.584 0.126 0.000 1.188 79 A CA 2.505 54.691 52.037 0.248 0.000 0.631 79 A CB -1.201 18.038 19.000 0.397 0.000 0.822 79 A HN 0.607 nan 8.150 nan 0.000 0.447 80 C N -1.334 118.026 119.300 0.101 0.000 2.440 80 C HA 0.145 4.605 4.460 0.000 0.000 0.278 80 C C 3.333 178.359 174.990 0.061 0.000 1.295 80 C CA 0.571 59.606 59.018 0.028 0.000 1.738 80 C CB -1.325 26.395 27.740 -0.033 0.000 1.987 80 C HN 0.714 nan 8.230 nan 0.000 0.492 81 A N 0.628 123.512 122.820 0.107 0.000 1.902 81 A HA -0.196 4.124 4.320 0.000 0.000 0.217 81 A C 2.223 179.950 177.584 0.240 0.000 1.181 81 A CA 1.424 53.570 52.037 0.181 0.000 0.623 81 A CB -0.530 18.536 19.000 0.110 0.000 0.818 81 A HN 0.657 nan 8.150 nan 0.000 0.443 82 R N -0.816 119.782 120.500 0.164 0.000 2.148 82 R HA -0.121 4.219 4.340 0.000 0.000 0.227 82 R C 2.239 178.632 176.300 0.156 0.000 1.103 82 R CA 1.410 57.601 56.100 0.153 0.000 0.983 82 R CB -0.170 30.153 30.300 0.039 0.000 0.874 82 R HN 0.821 nan 8.270 nan 0.000 0.451 83 E N 0.588 120.857 120.200 0.116 0.000 2.046 83 E HA -0.131 4.219 4.350 0.000 0.000 0.190 83 E C 1.923 178.600 176.600 0.128 0.000 0.982 83 E CA 1.015 57.466 56.400 0.085 0.000 0.800 83 E CB -0.030 29.689 29.700 0.033 0.000 0.756 83 E HN 0.308 nan 8.360 nan 0.000 0.449 84 A N 0.629 123.531 122.820 0.138 0.000 1.940 84 A HA -0.182 4.138 4.320 0.000 0.000 0.219 84 A C 2.018 179.758 177.584 0.261 0.000 1.176 84 A CA 1.246 53.365 52.037 0.136 0.000 0.631 84 A CB -0.880 18.172 19.000 0.087 0.000 0.814 84 A HN 0.482 nan 8.150 nan 0.000 0.446 85 F N 0.872 120.962 119.950 0.233 0.000 2.069 85 F HA -0.125 4.402 4.527 0.000 0.000 0.298 85 F C 2.673 178.562 175.800 0.149 0.000 1.113 85 F CA 0.811 58.981 58.000 0.283 0.000 1.214 85 F CB -0.960 38.207 39.000 0.278 0.000 0.978 85 F HN 0.269 nan 8.300 nan 0.000 0.474 86 A N 0.067 123.094 122.820 0.345 0.000 1.883 86 A HA -0.095 4.225 4.320 0.000 0.000 0.217 86 A C 2.402 180.087 177.584 0.168 0.000 1.186 86 A CA 2.165 54.305 52.037 0.172 0.000 0.624 86 A CB -1.549 17.499 19.000 0.079 0.000 0.822 86 A HN 0.441 nan 8.150 nan 0.000 0.444 87 A N 0.077 122.995 122.820 0.162 0.000 2.067 87 A HA 0.003 4.323 4.320 0.000 0.000 0.219 87 A C 2.361 180.050 177.584 0.175 0.000 1.158 87 A CA 1.934 54.059 52.037 0.148 0.000 0.661 87 A CB -0.788 18.285 19.000 0.122 0.000 0.801 87 A HN 1.013 nan 8.150 nan 0.000 0.452 88 S N -1.618 114.194 115.700 0.187 0.000 2.481 88 S HA 0.272 4.742 4.470 0.000 0.000 0.231 88 S C 1.670 176.349 174.600 0.131 0.000 0.996 88 S CA 1.238 59.526 58.200 0.146 0.000 0.942 88 S CB -0.576 62.676 63.200 0.087 0.000 0.768 88 S HN 1.860 nan 8.310 nan 0.000 0.520 89 G N 0.457 109.354 108.800 0.162 0.000 2.189 89 G HA2 -0.262 3.698 3.960 0.000 0.000 0.267 89 G HA3 -0.262 3.698 3.960 0.000 0.000 0.267 89 G C -0.027 174.965 174.900 0.152 0.000 0.975 89 G CA 0.366 45.543 45.100 0.128 0.000 0.644 89 G HN 0.565 nan 8.290 nan 0.000 0.537 90 L N 1.224 122.576 121.223 0.214 0.000 2.514 90 L HA 0.414 4.754 4.340 0.000 0.000 0.280 90 L C 0.408 177.468 176.870 0.317 0.000 1.223 90 L CA 0.236 55.218 54.840 0.237 0.000 0.864 90 L CB 0.824 43.013 42.059 0.217 0.000 1.118 90 L HN 0.255 nan 8.230 nan 0.000 0.494 91 D N 5.162 125.696 120.400 0.222 0.000 2.329 91 D HA 0.308 4.948 4.640 0.000 0.000 0.232 91 D C -1.906 174.518 176.300 0.207 0.000 1.088 91 D CA -2.159 51.947 54.000 0.177 0.000 0.835 91 D CB 1.752 42.612 40.800 0.100 0.000 1.078 91 D HN 0.231 nan 8.370 nan 0.000 0.495 92 P HA -0.108 nan 4.420 nan 0.000 0.216 92 P C 0.460 177.836 177.300 0.126 0.000 1.150 92 P CA 0.914 64.135 63.100 0.202 0.000 0.843 92 P CB 0.372 32.115 31.700 0.071 0.000 0.787 93 D N -1.777 118.672 120.400 0.082 0.000 2.264 93 D HA -0.089 4.551 4.640 0.000 0.000 0.208 93 D C 1.773 178.111 176.300 0.062 0.000 0.966 93 D CA 1.602 55.637 54.000 0.059 0.000 0.864 93 D CB -0.797 40.026 40.800 0.038 0.000 0.933 93 D HN 0.305 nan 8.370 nan 0.000 0.499 94 T N -2.334 112.265 114.554 0.075 0.000 3.044 94 T HA 0.170 4.520 4.350 0.000 0.000 0.250 94 T C 0.992 175.735 174.700 0.072 0.000 1.081 94 T CA -0.253 61.885 62.100 0.064 0.000 1.040 94 T CB 0.096 68.999 68.868 0.058 0.000 0.962 94 T HN -0.031 nan 8.240 nan 0.000 0.506 95 L N 2.453 123.736 121.223 0.099 0.000 2.349 95 L HA 0.409 4.749 4.340 0.000 0.000 0.275 95 L C -0.120 176.801 176.870 0.085 0.000 1.115 95 L CA -0.604 54.297 54.840 0.101 0.000 0.820 95 L CB 0.846 42.996 42.059 0.152 0.000 1.135 95 L HN 0.164 nan 8.230 nan 0.000 0.445 96 D N 4.784 125.225 120.400 0.069 0.000 2.396 96 D HA 0.225 4.865 4.640 0.000 0.000 0.225 96 D C -1.738 174.602 176.300 0.067 0.000 1.121 96 D CA -2.143 51.892 54.000 0.060 0.000 0.853 96 D CB 1.708 42.535 40.800 0.045 0.000 1.043 96 D HN 0.131 nan 8.370 nan 0.000 0.500 97 P HA -0.167 nan 4.420 nan 0.000 0.217 97 P C 0.909 178.249 177.300 0.067 0.000 1.151 97 P CA 1.469 64.616 63.100 0.078 0.000 0.849 97 P CB 0.187 31.933 31.700 0.076 0.000 0.787 98 A N -0.962 121.891 122.820 0.055 0.000 2.216 98 A HA -0.117 4.203 4.320 0.000 0.000 0.214 98 A C 1.753 179.363 177.584 0.044 0.000 1.160 98 A CA 1.213 53.278 52.037 0.047 0.000 0.725 98 A CB -0.533 18.491 19.000 0.039 0.000 0.784 98 A HN 0.039 nan 8.150 nan 0.000 0.472 99 R N -0.970 119.559 120.500 0.047 0.000 2.508 99 R HA 0.262 4.603 4.340 0.000 0.000 0.300 99 R C -0.684 175.645 176.300 0.048 0.000 0.970 99 R CA 0.140 56.264 56.100 0.040 0.000 1.102 99 R CB 0.140 30.460 30.300 0.033 0.000 1.246 99 R HN 0.250 nan 8.270 nan 0.000 0.539 100 V N 0.674 120.629 119.914 0.069 0.000 2.370 100 V HA 0.654 4.774 4.120 0.000 0.000 0.283 100 V C 0.593 176.748 176.094 0.101 0.000 1.023 100 V CA -0.711 61.650 62.300 0.102 0.000 0.857 100 V CB 1.584 33.492 31.823 0.142 0.000 0.985 100 V HN 0.274 nan 8.190 nan 0.000 0.443 101 G N 3.287 112.150 108.800 0.106 0.000 2.932 101 G HA2 0.768 4.728 3.960 0.000 0.000 0.283 101 G HA3 0.768 4.728 3.960 0.000 0.000 0.283 101 G C -1.438 173.535 174.900 0.121 0.000 1.336 101 G CA -0.701 44.450 45.100 0.084 0.000 1.056 101 G HN 0.550 nan 8.290 nan 0.000 0.522 102 V N -0.428 119.528 119.914 0.071 0.000 2.808 102 V HA 0.655 4.775 4.120 0.000 0.000 0.308 102 V C -0.578 175.537 176.094 0.034 0.000 1.099 102 V CA -0.749 61.597 62.300 0.076 0.000 0.920 102 V CB 2.020 33.858 31.823 0.025 0.000 1.014 102 V HN 0.778 nan 8.190 nan 0.000 0.425 103 S N 5.227 120.951 115.700 0.040 0.000 2.664 103 S HA 0.554 5.024 4.470 0.000 0.000 0.262 103 S C -1.192 173.418 174.600 0.016 0.000 1.229 103 S CA -0.404 57.802 58.200 0.010 0.000 1.151 103 S CB 0.475 63.670 63.200 -0.008 0.000 1.054 103 S HN 0.618 nan 8.310 nan 0.000 0.483 104 L N 5.030 126.254 121.223 0.000 0.000 2.296 104 L HA 0.775 5.115 4.340 0.000 0.000 0.286 104 L C 0.366 177.227 176.870 -0.015 0.000 1.023 104 L CA -0.057 54.782 54.840 -0.000 0.000 0.812 104 L CB 0.883 42.933 42.059 -0.015 0.000 1.223 104 L HN 0.782 nan 8.230 nan 0.000 0.421 105 G N 2.337 111.132 108.800 -0.008 0.000 2.389 105 G HA2 0.538 4.498 3.960 0.000 0.000 0.328 105 G HA3 0.538 4.498 3.960 0.000 0.000 0.328 105 G C -1.117 173.767 174.900 -0.027 0.000 1.133 105 G CA -0.337 44.750 45.100 -0.022 0.000 0.891 105 G HN 0.613 nan 8.290 nan 0.000 0.485 106 S N -0.476 115.200 115.700 -0.040 0.000 2.570 106 S HA 0.525 4.995 4.470 0.000 0.000 0.286 106 S C 0.649 175.220 174.600 -0.048 0.000 1.143 106 S CA 0.350 58.523 58.200 -0.046 0.000 0.921 106 S CB 1.203 64.371 63.200 -0.053 0.000 1.108 106 S HN 1.316 nan 8.310 nan 0.000 0.456 107 A N 3.119 125.911 122.820 -0.047 0.000 1.878 107 A HA 0.209 4.529 4.320 0.000 0.000 0.213 107 A C 1.549 179.114 177.584 -0.031 0.000 1.192 107 A CA 1.606 53.621 52.037 -0.037 0.000 0.619 107 A CB -0.584 18.392 19.000 -0.040 0.000 0.837 107 A HN 1.644 nan 8.150 nan 0.000 0.446 108 V N -4.914 114.973 119.914 -0.043 0.000 3.380 108 V HA 0.602 4.722 4.120 0.000 0.000 0.307 108 V C 1.227 177.282 176.094 -0.066 0.000 1.434 108 V CA 0.269 62.540 62.300 -0.049 0.000 1.075 108 V CB -1.107 30.686 31.823 -0.049 0.000 0.954 108 V HN 1.463 nan 8.190 nan 0.000 0.444 109 A N 1.830 124.608 122.820 -0.071 0.000 5.273 109 A HA -0.340 3.980 4.320 0.000 0.000 0.350 109 A C 1.803 179.325 177.584 -0.103 0.000 1.652 109 A CA 2.837 54.826 52.037 -0.079 0.000 0.709 109 A CB -2.030 16.936 19.000 -0.056 0.000 1.486 109 A HN 2.144 nan 8.150 nan 0.000 0.411 110 A N -0.491 122.278 122.820 -0.084 0.000 2.346 110 A HA 0.570 4.890 4.320 0.000 0.000 0.242 110 A C 2.015 179.509 177.584 -0.150 0.000 1.323 110 A CA 1.156 53.115 52.037 -0.129 0.000 0.940 110 A CB -1.448 17.519 19.000 -0.054 0.000 0.943 110 A HN 2.238 nan 8.150 nan 0.000 0.501 111 A N -0.291 122.455 122.820 -0.124 0.000 1.927 111 A HA -0.174 4.146 4.320 0.000 0.000 0.220 111 A C 2.279 179.778 177.584 -0.142 0.000 1.185 111 A CA 2.581 54.548 52.037 -0.116 0.000 0.639 111 A CB -1.031 17.910 19.000 -0.099 0.000 0.820 111 A HN 0.440 nan 8.150 nan 0.000 0.451 112 T N -0.091 114.361 114.554 -0.170 0.000 2.708 112 T HA -0.107 4.243 4.350 0.000 0.000 0.266 112 T C 2.225 176.789 174.700 -0.226 0.000 1.037 112 T CA 1.802 63.794 62.100 -0.181 0.000 1.146 112 T CB -0.331 68.417 68.868 -0.199 0.000 0.865 112 T HN 0.518 nan 8.240 nan 0.000 0.435 113 S N 1.154 116.640 115.700 -0.357 0.000 2.428 113 S HA 0.121 4.591 4.470 0.000 0.000 0.230 113 S C 2.025 176.444 174.600 -0.301 0.000 1.014 113 S CA 0.509 58.402 58.200 -0.512 0.000 0.957 113 S CB -0.383 62.046 63.200 -1.285 0.000 0.784 113 S HN 0.322 nan 8.310 nan 0.000 0.499 114 L N 1.148 122.260 121.223 -0.185 0.000 2.017 114 L HA -0.151 4.189 4.340 0.000 0.000 0.208 114 L C 2.694 179.579 176.870 0.025 0.000 1.073 114 L CA 1.509 56.342 54.840 -0.012 0.000 0.745 114 L CB -0.444 41.603 42.059 -0.019 0.000 0.894 114 L HN 0.319 nan 8.230 nan 0.000 0.432 115 E N 0.203 120.384 120.200 -0.031 0.000 2.077 115 E HA -0.274 4.076 4.350 0.000 0.000 0.193 115 E C 2.300 178.924 176.600 0.039 0.000 0.989 115 E CA 1.145 57.550 56.400 0.008 0.000 0.800 115 E CB 0.055 29.711 29.700 -0.074 0.000 0.746 115 E HN 0.237 nan 8.360 nan 0.000 0.452 116 R N 0.376 120.862 120.500 -0.023 0.000 2.073 116 R HA -0.164 4.176 4.340 0.000 0.000 0.234 116 R C 1.938 178.253 176.300 0.026 0.000 1.134 116 R CA 1.772 57.863 56.100 -0.016 0.000 0.952 116 R CB -0.061 30.209 30.300 -0.050 0.000 0.850 116 R HN 0.092 nan 8.270 nan 0.000 0.433 117 E N -0.193 120.045 120.200 0.063 0.000 2.150 117 E HA -0.197 4.153 4.350 0.000 0.000 0.193 117 E C 1.627 178.268 176.600 0.068 0.000 0.985 117 E CA 0.845 57.308 56.400 0.104 0.000 0.814 117 E CB -0.439 29.376 29.700 0.190 0.000 0.752 117 E HN 0.465 nan 8.360 nan 0.000 0.466 118 Y N 1.410 121.708 120.300 -0.004 0.000 2.128 118 Y HA -0.234 4.316 4.550 0.000 0.000 0.284 118 Y C 1.990 177.865 175.900 -0.041 0.000 1.154 118 Y CA 1.166 59.252 58.100 -0.022 0.000 1.149 118 Y CB -0.315 38.125 38.460 -0.033 0.000 0.976 118 Y HN -0.054 nan 8.280 nan 0.000 0.505 119 L N 0.035 121.162 121.223 -0.159 0.000 2.012 119 L HA -0.273 4.067 4.340 0.000 0.000 0.210 119 L C 2.477 179.154 176.870 -0.321 0.000 1.073 119 L CA 1.756 56.451 54.840 -0.241 0.000 0.748 119 L CB -1.331 40.671 42.059 -0.096 0.000 0.891 119 L HN 0.307 nan 8.230 nan 0.000 0.431 120 L N -1.724 119.363 121.223 -0.227 0.000 2.017 120 L HA -0.232 4.108 4.340 0.000 0.000 0.208 120 L C 2.493 179.186 176.870 -0.295 0.000 1.073 120 L CA 1.092 55.767 54.840 -0.276 0.000 0.745 120 L CB -0.618 41.441 42.059 0.001 0.000 0.894 120 L HN 0.226 nan 8.230 nan 0.000 0.432 121 L N -0.186 120.936 121.223 -0.169 0.000 2.017 121 L HA -0.201 4.139 4.340 0.000 0.000 0.208 121 L C 2.695 179.418 176.870 -0.246 0.000 1.073 121 L CA 1.828 56.592 54.840 -0.126 0.000 0.745 121 L CB -0.487 41.519 42.059 -0.089 0.000 0.894 121 L HN 0.392 nan 8.230 nan 0.000 0.432 122 S N -2.366 113.056 115.700 -0.463 0.000 2.593 122 S HA -0.038 4.432 4.470 0.000 0.000 0.217 122 S C 0.601 175.009 174.600 -0.321 0.000 0.966 122 S CA 0.241 58.183 58.200 -0.430 0.000 0.914 122 S CB -0.051 62.675 63.200 -0.790 0.000 0.776 122 S HN 0.484 nan 8.310 nan 0.000 0.523 123 D N 1.215 121.395 120.400 -0.367 0.000 2.760 123 D HA -0.175 4.465 4.640 0.000 0.000 0.244 123 D C -0.190 175.975 176.300 -0.226 0.000 1.123 123 D CA 0.734 54.547 54.000 -0.313 0.000 0.719 123 D CB -2.113 38.549 40.800 -0.229 0.000 1.045 123 D HN 0.420 nan 8.370 nan 0.000 0.426 124 S N -0.755 114.797 115.700 -0.248 0.000 3.706 124 S HA -0.046 4.424 4.470 0.000 0.000 0.363 124 S C 1.433 176.013 174.600 -0.032 0.000 0.999 124 S CA 1.533 59.657 58.200 -0.127 0.000 1.143 124 S CB -1.658 61.491 63.200 -0.085 0.000 0.902 124 S HN 1.856 nan 8.310 nan 0.000 0.476 125 G N 0.032 108.805 108.800 -0.045 0.000 2.159 125 G HA2 -0.355 3.605 3.960 0.000 0.000 0.256 125 G HA3 -0.355 3.605 3.960 0.000 0.000 0.256 125 G C 0.711 175.665 174.900 0.090 0.000 0.977 125 G CA 0.685 45.879 45.100 0.156 0.000 0.652 125 G HN 0.638 nan 8.290 nan 0.000 0.531 126 R N 0.043 120.547 120.500 0.006 0.000 2.075 126 R HA 0.100 4.440 4.340 0.000 0.000 0.226 126 R C -0.054 176.277 176.300 0.052 0.000 1.114 126 R CA 1.244 57.355 56.100 0.018 0.000 0.972 126 R CB 0.038 30.325 30.300 -0.022 0.000 0.869 126 R HN 0.412 nan 8.270 nan 0.000 0.437 127 D N -0.705 119.718 120.400 0.037 0.000 2.308 127 D HA -0.020 4.620 4.640 0.000 0.000 0.242 127 D C -0.100 176.297 176.300 0.161 0.000 1.059 127 D CA -0.411 53.641 54.000 0.085 0.000 0.830 127 D CB 1.440 42.257 40.800 0.028 0.000 1.161 127 D HN 0.184 nan 8.370 nan 0.000 0.494 128 W N 3.133 124.453 121.300 0.033 0.000 2.409 128 W HA -0.074 4.586 4.660 -0.000 0.000 0.299 128 W C -0.092 176.455 176.519 0.048 0.000 1.203 128 W CA 0.521 57.899 57.345 0.055 0.000 1.298 128 W CB 0.481 29.967 29.460 0.042 0.000 1.127 128 W HN 0.311 nan 8.180 nan 0.000 0.528 129 E N 2.823 123.051 120.200 0.048 0.000 1.861 129 E HA 0.094 4.444 4.350 0.000 0.000 0.263 129 E C 0.426 176.990 176.600 -0.061 0.000 1.137 129 E CA -0.318 56.036 56.400 -0.077 0.000 0.944 129 E CB 0.629 30.352 29.700 0.038 0.000 1.092 129 E HN -0.037 nan 8.360 nan 0.000 0.420 130 V N 0.042 119.882 119.914 -0.123 0.000 3.032 130 V HA -0.009 4.111 4.120 0.000 0.000 0.307 130 V C 0.425 176.505 176.094 -0.022 0.000 1.097 130 V CA -0.391 61.859 62.300 -0.082 0.000 1.191 130 V CB 0.866 32.624 31.823 -0.108 0.000 0.964 130 V HN 0.403 nan 8.190 nan 0.000 0.494 131 D N 2.731 123.148 120.400 0.028 0.000 2.380 131 D HA 0.505 5.145 4.640 0.000 0.000 0.230 131 D C 0.903 177.277 176.300 0.123 0.000 1.154 131 D CA 0.232 54.294 54.000 0.103 0.000 0.859 131 D CB 1.282 42.209 40.800 0.211 0.000 1.045 131 D HN 0.896 nan 8.370 nan 0.000 0.495 132 A N 3.723 126.575 122.820 0.053 0.000 2.225 132 A HA -0.014 4.306 4.320 0.000 0.000 0.215 132 A C 2.003 179.584 177.584 -0.006 0.000 1.164 132 A CA 1.437 53.489 52.037 0.025 0.000 0.710 132 A CB -0.289 18.709 19.000 -0.002 0.000 0.780 132 A HN 0.617 nan 8.150 nan 0.000 0.473 133 A N -1.421 121.388 122.820 -0.018 0.000 2.015 133 A HA -0.064 4.256 4.320 0.000 0.000 0.219 133 A C 1.460 178.825 177.584 -0.365 0.000 1.163 133 A CA 0.945 52.862 52.037 -0.200 0.000 0.646 133 A CB -0.616 18.234 19.000 -0.250 0.000 0.806 133 A HN 0.741 nan 8.150 nan 0.000 0.448 134 W N -0.349 120.929 121.300 -0.037 0.000 3.325 134 W HA 0.409 5.069 4.660 -0.000 0.000 0.370 134 W C 0.226 176.727 176.519 -0.030 0.000 1.169 134 W CA -0.547 56.777 57.345 -0.035 0.000 1.874 134 W CB -0.018 29.414 29.460 -0.046 0.000 1.076 134 W HN 0.030 nan 8.180 nan 0.000 0.684 135 L N 2.568 123.836 121.223 0.074 0.000 2.456 135 L HA 0.093 4.433 4.340 0.000 0.000 0.277 135 L C 1.090 177.970 176.870 0.017 0.000 1.124 135 L CA 0.247 55.115 54.840 0.046 0.000 0.880 135 L CB 0.431 42.495 42.059 0.008 0.000 1.192 135 L HN -0.136 nan 8.230 nan 0.000 0.463 136 S N 4.904 120.633 115.700 0.049 0.000 2.568 136 S HA 0.039 4.509 4.470 0.000 0.000 0.282 136 S C 1.509 176.060 174.600 -0.081 0.000 1.338 136 S CA -0.359 57.851 58.200 0.018 0.000 1.045 136 S CB 0.667 63.940 63.200 0.121 0.000 0.873 136 S HN 0.799 nan 8.310 nan 0.000 0.516 137 R N 2.898 123.268 120.500 -0.217 0.000 2.280 137 R HA 0.015 4.355 4.340 0.000 0.000 0.207 137 R C 0.371 176.477 176.300 -0.322 0.000 1.043 137 R CA 1.049 56.971 56.100 -0.296 0.000 1.006 137 R CB -0.460 29.610 30.300 -0.385 0.000 0.885 137 R HN 0.726 nan 8.270 nan 0.000 0.467 138 H N -0.236 118.775 119.070 -0.098 0.000 2.594 138 H HA 0.155 4.711 4.556 0.000 0.000 0.279 138 H C 1.321 176.312 175.328 -0.560 0.000 1.042 138 H CA -0.056 55.831 56.048 -0.269 0.000 1.177 138 H CB 0.494 30.093 29.762 -0.271 0.000 1.524 138 H HN 0.120 nan 8.280 nan 0.000 0.537 139 M N 0.432 119.908 119.600 -0.206 0.000 2.106 139 M HA -0.182 4.298 4.480 0.000 0.000 0.259 139 M C 1.826 178.051 176.300 -0.126 0.000 1.068 139 M CA 1.421 56.630 55.300 -0.151 0.000 1.100 139 M CB -0.634 31.972 32.600 0.011 0.000 1.351 139 M HN 0.179 nan 8.290 nan 0.000 0.404 140 F N 0.490 120.344 119.950 -0.160 0.000 2.216 140 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 140 F C 1.550 177.283 175.800 -0.112 0.000 1.085 140 F CA 1.729 59.671 58.000 -0.098 0.000 1.326 140 F CB -0.261 38.702 39.000 -0.062 0.000 1.027 140 F HN 0.219 nan 8.300 nan 0.000 0.497 141 D N -1.162 119.203 120.400 -0.059 0.000 2.363 141 D HA -0.125 4.515 4.640 0.000 0.000 0.220 141 D C 1.600 177.858 176.300 -0.070 0.000 0.994 141 D CA 0.937 54.890 54.000 -0.079 0.000 0.890 141 D CB -0.252 40.529 40.800 -0.031 0.000 0.906 141 D HN 0.471 nan 8.370 nan 0.000 0.530 142 Y N -0.079 120.202 120.300 -0.033 0.000 2.441 142 Y HA 0.014 4.564 4.550 -0.000 0.000 0.288 142 Y C 2.246 178.074 175.900 -0.120 0.000 1.118 142 Y CA -0.472 57.592 58.100 -0.059 0.000 1.215 142 Y CB 0.176 38.622 38.460 -0.024 0.000 1.118 142 Y HN -0.106 nan 8.280 nan 0.000 0.547 143 L N 0.156 121.328 121.223 -0.085 0.000 2.017 143 L HA -0.033 4.307 4.340 0.000 0.000 0.208 143 L C 0.479 177.181 176.870 -0.280 0.000 1.073 143 L CA 1.496 56.210 54.840 -0.209 0.000 0.745 143 L CB -0.126 41.718 42.059 -0.358 0.000 0.894 143 L HN -0.130 nan 8.230 nan 0.000 0.432 144 V N 1.168 120.835 119.914 -0.412 0.000 2.304 144 V HA 0.280 4.400 4.120 0.000 0.000 0.278 144 V C -1.604 174.414 176.094 -0.127 0.000 1.018 144 V CA -0.993 61.126 62.300 -0.301 0.000 0.814 144 V CB 0.836 32.387 31.823 -0.453 0.000 1.021 144 V HN 0.147 nan 8.190 nan 0.000 0.440 145 P HA -0.091 nan 4.420 nan 0.000 0.226 145 P C 1.605 178.888 177.300 -0.027 0.000 1.146 145 P CA 0.881 63.964 63.100 -0.029 0.000 0.773 145 P CB 0.169 31.848 31.700 -0.036 0.000 0.772 146 S N -0.576 115.109 115.700 -0.024 0.000 2.444 146 S HA -0.165 4.305 4.470 0.000 0.000 0.244 146 S C 1.876 176.444 174.600 -0.054 0.000 1.025 146 S CA 1.111 59.296 58.200 -0.025 0.000 0.995 146 S CB -1.288 61.919 63.200 0.012 0.000 0.781 146 S HN 0.122 nan 8.310 nan 0.000 0.496 147 V N 1.568 121.462 119.914 -0.032 0.000 2.626 147 V HA -0.168 3.952 4.120 0.000 0.000 0.252 147 V C 1.829 177.837 176.094 -0.142 0.000 1.067 147 V CA 1.523 63.780 62.300 -0.072 0.000 1.081 147 V CB -0.462 31.374 31.823 0.022 0.000 0.686 147 V HN 0.509 nan 8.190 nan 0.000 0.468 148 M N 0.260 119.805 119.600 -0.091 0.000 2.065 148 M HA -0.123 4.357 4.480 0.000 0.000 0.259 148 M C 0.049 176.267 176.300 -0.137 0.000 1.071 148 M CA 2.746 57.990 55.300 -0.094 0.000 1.109 148 M CB -1.633 30.929 32.600 -0.064 0.000 1.313 148 M HN 0.303 nan 8.290 nan 0.000 0.408 149 P HA -0.065 nan 4.420 nan 0.000 0.218 149 P C 0.999 178.133 177.300 -0.276 0.000 1.149 149 P CA 1.742 64.753 63.100 -0.149 0.000 0.817 149 P CB -0.198 31.437 31.700 -0.108 0.000 0.785 150 A N -0.049 122.524 122.820 -0.413 0.000 1.902 150 A HA -0.238 4.082 4.320 0.000 0.000 0.217 150 A C 2.327 179.200 177.584 -1.186 0.000 1.181 150 A CA 1.903 53.433 52.037 -0.845 0.000 0.623 150 A CB -1.379 17.067 19.000 -0.924 0.000 0.818 150 A HN 0.089 nan 8.150 nan 0.000 0.443 151 E N -0.293 119.478 120.200 -0.715 0.000 2.118 151 E HA -0.122 4.228 4.350 0.000 0.000 0.195 151 E C 1.888 178.422 176.600 -0.110 0.000 0.992 151 E CA 1.403 57.634 56.400 -0.282 0.000 0.804 151 E CB -0.295 29.373 29.700 -0.053 0.000 0.741 151 E HN 0.304 nan 8.360 nan 0.000 0.458 152 V N 0.396 120.219 119.914 -0.152 0.000 2.307 152 V HA -0.226 3.894 4.120 0.000 0.000 0.245 152 V C 2.299 178.316 176.094 -0.129 0.000 1.045 152 V CA 1.694 63.943 62.300 -0.086 0.000 1.024 152 V CB -0.931 30.852 31.823 -0.066 0.000 0.651 152 V HN 0.412 nan 8.190 nan 0.000 0.449 153 A N -0.390 122.309 122.820 -0.200 0.000 1.908 153 A HA -0.243 4.077 4.320 0.000 0.000 0.218 153 A C 1.982 179.566 177.584 0.000 0.000 1.181 153 A CA 2.084 54.032 52.037 -0.150 0.000 0.627 153 A CB -0.721 18.162 19.000 -0.195 0.000 0.818 153 A HN 0.666 nan 8.150 nan 0.000 0.445 154 W N -0.603 120.690 121.300 -0.011 0.000 2.381 154 W HA 0.028 4.688 4.660 -0.000 0.000 0.301 154 W C 2.771 179.285 176.519 -0.008 0.000 1.205 154 W CA 0.669 58.014 57.345 -0.000 0.000 1.285 154 W CB -1.286 28.184 29.460 0.017 0.000 1.133 154 W HN 0.451 nan 8.180 nan 0.000 0.521 155 A N 0.362 123.301 122.820 0.199 0.000 1.969 155 A HA -0.068 4.252 4.320 0.000 0.000 0.218 155 A C 1.980 179.593 177.584 0.049 0.000 1.169 155 A CA 2.393 54.495 52.037 0.108 0.000 0.635 155 A CB -0.857 18.201 19.000 0.096 0.000 0.810 155 A HN 0.174 nan 8.150 nan 0.000 0.445 156 V N -4.392 115.496 119.914 -0.043 0.000 3.660 156 V HA 0.537 4.657 4.120 0.000 0.000 0.276 156 V C 1.169 177.284 176.094 0.036 0.000 1.317 156 V CA 0.637 62.881 62.300 -0.092 0.000 1.097 156 V CB -0.733 30.473 31.823 -1.029 0.000 0.863 156 V HN 1.518 nan 8.190 nan 0.000 0.438 157 G N 0.610 109.447 108.800 0.061 0.000 2.256 157 G HA2 0.003 3.963 3.960 0.000 0.000 0.272 157 G HA3 0.003 3.963 3.960 0.000 0.000 0.272 157 G C 0.195 175.144 174.900 0.082 0.000 1.076 157 G CA 0.263 45.425 45.100 0.104 0.000 0.882 157 G HN 1.688 nan 8.290 nan 0.000 0.497 158 A N -0.557 122.290 122.820 0.046 0.000 2.331 158 A HA 0.780 5.100 4.320 0.000 0.000 0.283 158 A C 0.807 178.434 177.584 0.071 0.000 1.142 158 A CA 0.149 52.219 52.037 0.054 0.000 0.812 158 A CB 0.598 19.613 19.000 0.026 0.000 1.074 158 A HN 0.488 nan 8.150 nan 0.000 0.497 159 E N 1.688 121.931 120.200 0.071 0.000 2.743 159 E HA 0.162 4.512 4.350 0.000 0.000 0.222 159 E C 0.917 177.549 176.600 0.054 0.000 0.959 159 E CA 0.160 56.601 56.400 0.069 0.000 1.198 159 E CB 1.043 30.786 29.700 0.072 0.000 1.100 159 E HN 0.802 nan 8.360 nan 0.000 0.518 160 G N 2.052 110.882 108.800 0.050 0.000 2.714 160 G HA2 0.287 4.247 3.960 0.000 0.000 0.197 160 G HA3 0.287 4.247 3.960 0.000 0.000 0.197 160 G C -2.456 172.464 174.900 0.033 0.000 1.449 160 G CA -0.835 44.290 45.100 0.041 0.000 1.065 160 G HN -0.135 nan 8.290 nan 0.000 0.575 161 P HA 0.345 nan 4.420 nan 0.000 0.265 161 P C -0.850 176.459 177.300 0.015 0.000 1.222 161 P CA -0.024 63.087 63.100 0.019 0.000 0.767 161 P CB 1.183 32.892 31.700 0.016 0.000 0.801 162 V N 4.060 123.976 119.914 0.004 0.000 2.444 162 V HA 0.657 4.777 4.120 0.000 0.000 0.294 162 V C 0.136 176.218 176.094 -0.020 0.000 1.022 162 V CA -0.083 62.209 62.300 -0.013 0.000 0.850 162 V CB 1.950 33.751 31.823 -0.037 0.000 0.992 162 V HN 0.564 nan 8.190 nan 0.000 0.426 163 T N 5.039 119.579 114.554 -0.023 0.000 2.802 163 T HA 0.536 4.886 4.350 0.000 0.000 0.311 163 T C -1.356 173.327 174.700 -0.028 0.000 1.405 163 T CA -0.508 61.578 62.100 -0.023 0.000 1.016 163 T CB 1.738 70.599 68.868 -0.012 0.000 1.352 163 T HN 0.657 nan 8.240 nan 0.000 0.498 164 M N 3.552 123.134 119.600 -0.030 0.000 2.336 164 M HA 0.728 5.208 4.480 0.000 0.000 0.342 164 M C -1.584 174.697 176.300 -0.031 0.000 1.128 164 M CA -0.586 54.694 55.300 -0.033 0.000 1.016 164 M CB 1.193 33.771 32.600 -0.037 0.000 1.665 164 M HN 0.397 nan 8.290 nan 0.000 0.445 165 V N 3.528 123.420 119.914 -0.038 0.000 2.384 165 V HA 0.424 4.544 4.120 0.000 0.000 0.287 165 V C -0.425 175.630 176.094 -0.065 0.000 1.020 165 V CA -0.464 61.806 62.300 -0.049 0.000 0.850 165 V CB 1.566 33.356 31.823 -0.054 0.000 0.987 165 V HN 0.881 nan 8.190 nan 0.000 0.436 166 S N 3.114 118.769 115.700 -0.075 0.000 2.399 166 S HA 0.348 4.818 4.470 0.000 0.000 0.215 166 S C 0.353 174.874 174.600 -0.133 0.000 1.456 166 S CA -0.257 57.895 58.200 -0.080 0.000 1.199 166 S CB 0.363 63.536 63.200 -0.045 0.000 1.063 166 S HN 0.948 nan 8.310 nan 0.000 0.476 167 T N 0.816 115.225 114.554 -0.243 0.000 3.316 167 T HA 0.610 4.960 4.350 0.000 0.000 0.253 167 T C 1.133 175.624 174.700 -0.349 0.000 0.995 167 T CA 0.060 61.833 62.100 -0.545 0.000 1.031 167 T CB 0.008 68.265 68.868 -1.017 0.000 1.125 167 T HN 1.080 nan 8.240 nan 0.000 0.539 168 G N 1.127 109.872 108.800 -0.092 0.000 2.566 168 G HA2 -0.330 3.630 3.960 0.000 0.000 0.280 168 G HA3 -0.330 3.630 3.960 0.000 0.000 0.280 168 G C 0.933 175.813 174.900 -0.033 0.000 1.225 168 G CA -0.112 44.992 45.100 0.006 0.000 0.966 168 G HN 0.772 nan 8.290 nan 0.000 0.560 169 C N 1.207 120.498 119.300 -0.014 0.000 2.526 169 C HA 0.351 4.811 4.460 0.000 0.000 0.286 169 C C 2.394 177.424 174.990 0.068 0.000 1.416 169 C CA 1.540 60.573 59.018 0.025 0.000 1.671 169 C CB -2.151 25.613 27.740 0.040 0.000 1.650 169 C HN 1.091 nan 8.230 nan 0.000 0.590 170 T N -4.114 110.441 114.554 0.002 0.000 3.084 170 T HA 0.071 4.421 4.350 0.000 0.000 0.270 170 T C 1.331 176.014 174.700 -0.028 0.000 1.008 170 T CA 0.326 62.431 62.100 0.008 0.000 0.900 170 T CB -0.176 68.698 68.868 0.010 0.000 1.084 170 T HN 0.310 nan 8.240 nan 0.000 0.538 171 S N 1.774 117.440 115.700 -0.058 0.000 2.399 171 S HA 0.009 4.479 4.470 0.000 0.000 0.231 171 S C 2.346 176.940 174.600 -0.009 0.000 1.022 171 S CA 1.299 59.461 58.200 -0.064 0.000 0.983 171 S CB -0.851 62.311 63.200 -0.063 0.000 0.803 171 S HN 0.747 nan 8.310 nan 0.000 0.480 172 G N 0.892 109.710 108.800 0.030 0.000 2.448 172 G HA2 -0.084 3.876 3.960 0.000 0.000 0.219 172 G HA3 -0.084 3.876 3.960 0.000 0.000 0.219 172 G C 1.236 176.179 174.900 0.072 0.000 1.127 172 G CA 0.594 45.733 45.100 0.066 0.000 0.766 172 G HN 0.345 nan 8.290 nan 0.000 0.552 173 L N 0.459 121.724 121.223 0.070 0.000 2.189 173 L HA 0.219 4.559 4.340 0.000 0.000 0.199 173 L C 2.208 179.090 176.870 0.020 0.000 1.074 173 L CA 1.070 55.959 54.840 0.082 0.000 0.783 173 L CB -0.490 41.668 42.059 0.165 0.000 0.955 173 L HN 0.018 nan 8.230 nan 0.000 0.460 174 D N -0.632 119.801 120.400 0.055 0.000 2.182 174 D HA -0.170 4.470 4.640 0.000 0.000 0.201 174 D C 2.290 178.513 176.300 -0.128 0.000 0.986 174 D CA 1.549 55.552 54.000 0.005 0.000 0.847 174 D CB -0.125 40.687 40.800 0.020 0.000 0.942 174 D HN 0.400 nan 8.370 nan 0.000 0.467 175 S N -0.056 115.595 115.700 -0.081 0.000 2.402 175 S HA -0.100 4.370 4.470 0.000 0.000 0.229 175 S C 2.170 176.707 174.600 -0.105 0.000 1.021 175 S CA 0.810 58.968 58.200 -0.071 0.000 0.974 175 S CB -0.510 62.678 63.200 -0.020 0.000 0.800 175 S HN 0.118 nan 8.310 nan 0.000 0.484 176 V N 2.091 121.923 119.914 -0.136 0.000 2.407 176 V HA 0.093 4.213 4.120 0.000 0.000 0.245 176 V C 2.933 178.823 176.094 -0.339 0.000 1.041 176 V CA 1.483 63.678 62.300 -0.174 0.000 1.040 176 V CB -1.584 30.137 31.823 -0.169 0.000 0.671 176 V HN 0.624 nan 8.190 nan 0.000 0.455 177 G N 0.457 108.871 108.800 -0.644 0.000 2.440 177 G HA2 -0.365 3.595 3.960 0.000 0.000 0.218 177 G HA3 -0.365 3.595 3.960 0.000 0.000 0.218 177 G C 1.419 175.952 174.900 -0.611 0.000 1.154 177 G CA 1.296 45.655 45.100 -1.236 0.000 0.767 177 G HN 0.576 nan 8.290 nan 0.000 0.552 178 N N 1.085 119.562 118.700 -0.370 0.000 2.166 178 N HA 0.016 4.756 4.740 0.000 0.000 0.186 178 N C 2.289 177.731 175.510 -0.113 0.000 1.019 178 N CA 1.648 54.604 53.050 -0.157 0.000 0.856 178 N CB -0.369 38.064 38.487 -0.090 0.000 0.993 178 N HN 0.228 nan 8.380 nan 0.000 0.426 179 A N -0.294 122.451 122.820 -0.124 0.000 2.015 179 A HA 0.009 4.329 4.320 0.000 0.000 0.219 179 A C 2.310 179.842 177.584 -0.086 0.000 1.163 179 A CA 1.136 53.124 52.037 -0.080 0.000 0.646 179 A CB -0.576 18.385 19.000 -0.065 0.000 0.806 179 A HN 0.200 nan 8.150 nan 0.000 0.448 180 V N 0.127 119.965 119.914 -0.126 0.000 2.379 180 V HA -0.181 3.939 4.120 0.000 0.000 0.245 180 V C 2.672 178.735 176.094 -0.051 0.000 1.044 180 V CA 1.754 63.997 62.300 -0.095 0.000 1.036 180 V CB -0.690 31.062 31.823 -0.119 0.000 0.664 180 V HN 0.448 nan 8.190 nan 0.000 0.453 181 R N 0.549 121.021 120.500 -0.047 0.000 2.096 181 R HA -0.048 4.292 4.340 0.000 0.000 0.235 181 R C 2.365 178.662 176.300 -0.006 0.000 1.127 181 R CA 1.521 57.617 56.100 -0.006 0.000 0.968 181 R CB -1.321 28.986 30.300 0.013 0.000 0.861 181 R HN 0.527 nan 8.270 nan 0.000 0.440 182 A N 1.340 124.150 122.820 -0.017 0.000 1.883 182 A HA -0.131 4.189 4.320 0.000 0.000 0.217 182 A C 2.344 179.925 177.584 -0.005 0.000 1.186 182 A CA 1.403 53.435 52.037 -0.008 0.000 0.624 182 A CB -0.548 18.446 19.000 -0.010 0.000 0.822 182 A HN 0.210 nan 8.150 nan 0.000 0.444 183 I N -0.764 119.797 120.570 -0.014 0.000 2.252 183 I HA -0.233 3.937 4.170 0.000 0.000 0.245 183 I C 2.523 178.640 176.117 -0.001 0.000 1.102 183 I CA 1.449 62.743 61.300 -0.010 0.000 1.385 183 I CB -0.514 37.474 38.000 -0.020 0.000 1.064 183 I HN 0.434 nan 8.210 nan 0.000 0.414 184 E N 1.048 121.248 120.200 -0.001 0.000 2.038 184 E HA -0.278 4.072 4.350 0.000 0.000 0.195 184 E C 1.910 178.516 176.600 0.011 0.000 1.000 184 E CA 1.745 58.150 56.400 0.007 0.000 0.803 184 E CB -0.134 29.572 29.700 0.010 0.000 0.750 184 E HN 0.616 nan 8.360 nan 0.000 0.448 185 E N -0.313 119.894 120.200 0.011 0.000 2.511 185 E HA -0.017 4.333 4.350 0.000 0.000 0.196 185 E C 1.009 177.616 176.600 0.012 0.000 1.066 185 E CA 0.596 57.004 56.400 0.013 0.000 0.871 185 E CB 0.178 29.887 29.700 0.015 0.000 0.863 185 E HN 0.273 nan 8.360 nan 0.000 0.520 186 G N 0.682 109.488 108.800 0.010 0.000 2.136 186 G HA2 -0.311 3.649 3.960 0.000 0.000 0.242 186 G HA3 -0.311 3.649 3.960 0.000 0.000 0.242 186 G C 0.875 175.782 174.900 0.011 0.000 0.989 186 G CA 0.412 45.518 45.100 0.010 0.000 0.682 186 G HN 0.312 nan 8.290 nan 0.000 0.522 187 S N -0.453 115.253 115.700 0.011 0.000 2.522 187 S HA 0.571 5.041 4.470 0.000 0.000 0.227 187 S C 1.019 175.627 174.600 0.014 0.000 0.986 187 S CA 1.452 59.660 58.200 0.013 0.000 0.929 187 S CB 0.226 63.434 63.200 0.012 0.000 0.769 187 S HN 1.919 nan 8.310 nan 0.000 0.529 188 A N 0.191 123.018 122.820 0.011 0.000 2.608 188 A HA 0.575 4.895 4.320 0.000 0.000 0.292 188 A C -0.894 176.693 177.584 0.005 0.000 1.066 188 A CA -0.620 51.424 52.037 0.012 0.000 0.676 188 A CB 0.514 19.522 19.000 0.014 0.000 1.277 188 A HN 0.015 nan 8.150 nan 0.000 0.413 189 D N -0.515 119.888 120.400 0.005 0.000 2.431 189 D HA 0.242 4.882 4.640 0.000 0.000 0.227 189 D C 0.058 176.345 176.300 -0.023 0.000 1.030 189 D CA 1.136 55.134 54.000 -0.004 0.000 0.897 189 D CB 0.901 41.702 40.800 0.003 0.000 1.058 189 D HN 0.248 nan 8.370 nan 0.000 0.500 190 V N 2.314 122.212 119.914 -0.025 0.000 2.531 190 V HA 0.380 4.500 4.120 0.000 0.000 0.301 190 V C -0.446 175.607 176.094 -0.069 0.000 1.034 190 V CA -0.566 61.688 62.300 -0.078 0.000 0.865 190 V CB 2.378 34.155 31.823 -0.077 0.000 0.995 190 V HN -0.029 nan 8.190 nan 0.000 0.424 191 M N 4.493 124.005 119.600 -0.147 0.000 2.393 191 M HA 0.572 5.052 4.480 0.000 0.000 0.316 191 M C -1.255 174.915 176.300 -0.217 0.000 1.087 191 M CA -0.427 54.823 55.300 -0.083 0.000 0.937 191 M CB 1.886 34.456 32.600 -0.050 0.000 1.668 191 M HN 0.476 nan 8.290 nan 0.000 0.438 192 F N 1.898 121.823 119.950 -0.041 0.000 2.308 192 F HA 0.643 5.170 4.527 0.000 0.000 0.370 192 F C 0.363 176.166 175.800 0.004 0.000 1.100 192 F CA -0.417 57.565 58.000 -0.029 0.000 1.108 192 F CB 1.068 40.037 39.000 -0.052 0.000 1.293 192 F HN 0.622 nan 8.300 nan 0.000 0.478 193 A N 2.391 125.292 122.820 0.136 0.000 2.380 193 A HA 0.992 5.312 4.320 0.000 0.000 0.315 193 A C -0.038 177.673 177.584 0.211 0.000 1.101 193 A CA -0.067 52.050 52.037 0.134 0.000 0.771 193 A CB 1.485 20.526 19.000 0.069 0.000 1.287 193 A HN 0.919 nan 8.150 nan 0.000 0.436 194 G N -1.023 107.870 108.800 0.154 0.000 2.392 194 G HA2 0.755 4.715 3.960 0.000 0.000 0.260 194 G HA3 0.755 4.715 3.960 0.000 0.000 0.260 194 G C -0.860 174.090 174.900 0.083 0.000 1.226 194 G CA 0.356 45.550 45.100 0.157 0.000 0.913 194 G HN 2.297 nan 8.290 nan 0.000 0.483 195 A N -1.692 121.160 122.820 0.054 0.000 2.608 195 A HA 1.083 5.403 4.320 0.000 0.000 0.292 195 A C -0.716 176.876 177.584 0.012 0.000 1.066 195 A CA 0.449 52.503 52.037 0.027 0.000 0.676 195 A CB 1.094 20.116 19.000 0.036 0.000 1.277 195 A HN 2.599 nan 8.150 nan 0.000 0.413 196 A N 0.844 123.659 122.820 -0.009 0.000 2.566 196 A HA 0.783 5.103 4.320 0.000 0.000 0.297 196 A C -2.014 175.521 177.584 -0.083 0.000 1.059 196 A CA -0.377 51.644 52.037 -0.028 0.000 0.691 196 A CB 1.586 20.576 19.000 -0.017 0.000 1.282 196 A HN 0.725 nan 8.150 nan 0.000 0.401 197 D N 1.199 121.523 120.400 -0.127 0.000 2.927 197 D HA 0.554 5.194 4.640 0.000 0.000 0.219 197 D C -1.089 175.065 176.300 -0.244 0.000 1.248 197 D CA 0.223 54.131 54.000 -0.154 0.000 0.861 197 D CB 2.212 42.958 40.800 -0.089 0.000 1.677 197 D HN 0.677 nan 8.370 nan 0.000 0.511 198 T N -0.583 113.804 114.554 -0.278 0.000 3.317 198 T HA 0.394 4.744 4.350 0.000 0.000 0.361 198 T C -2.299 172.316 174.700 -0.142 0.000 1.499 198 T CA -1.202 60.714 62.100 -0.307 0.000 1.529 198 T CB 1.703 70.246 68.868 -0.543 0.000 0.997 198 T HN 0.076 nan 8.240 nan 0.000 0.624 199 P HA 0.350 nan 4.420 nan 0.000 0.268 199 P C 0.240 177.589 177.300 0.080 0.000 1.329 199 P CA -0.309 62.795 63.100 0.007 0.000 0.899 199 P CB 0.119 31.841 31.700 0.036 0.000 1.378 200 I N 0.711 121.366 120.570 0.142 0.000 2.352 200 I HA 0.143 4.313 4.170 0.000 0.000 0.303 200 I C 0.450 176.791 176.117 0.373 0.000 1.194 200 I CA 0.537 61.988 61.300 0.252 0.000 1.518 200 I CB -0.446 37.711 38.000 0.262 0.000 1.489 200 I HN -0.084 nan 8.210 nan 0.000 0.702 201 T N 4.693 119.372 114.554 0.208 0.000 2.923 201 T HA 0.317 4.667 4.350 0.000 0.000 0.311 201 T C -2.061 172.481 174.700 -0.265 0.000 1.183 201 T CA -1.515 60.572 62.100 -0.022 0.000 1.020 201 T CB 2.040 70.857 68.868 -0.085 0.000 1.165 201 T HN 0.032 nan 8.240 nan 0.000 0.482 202 P HA -0.143 nan 4.420 nan 0.000 0.219 202 P C 1.500 178.612 177.300 -0.313 0.000 1.161 202 P CA 0.934 63.627 63.100 -0.679 0.000 0.909 202 P CB 0.050 31.413 31.700 -0.562 0.000 0.793 203 I N -1.039 119.404 120.570 -0.213 0.000 2.208 203 I HA -0.189 3.981 4.170 0.000 0.000 0.245 203 I C 1.944 177.972 176.117 -0.149 0.000 1.097 203 I CA 1.604 62.814 61.300 -0.149 0.000 1.363 203 I CB -0.725 37.183 38.000 -0.153 0.000 1.051 203 I HN -0.222 nan 8.210 nan 0.000 0.413 204 V N -0.419 119.411 119.914 -0.140 0.000 2.379 204 V HA -0.213 3.907 4.120 0.000 0.000 0.245 204 V C 2.512 178.562 176.094 -0.072 0.000 1.044 204 V CA 1.610 63.824 62.300 -0.143 0.000 1.036 204 V CB -0.535 31.268 31.823 -0.033 0.000 0.664 204 V HN 0.305 nan 8.190 nan 0.000 0.453 205 V N 0.513 120.417 119.914 -0.016 0.000 2.343 205 V HA -0.260 3.860 4.120 0.000 0.000 0.247 205 V C 2.706 178.823 176.094 0.039 0.000 1.051 205 V CA 2.082 64.401 62.300 0.032 0.000 1.036 205 V CB -1.103 30.650 31.823 -0.117 0.000 0.654 205 V HN 0.558 nan 8.190 nan 0.000 0.451 206 A N -0.168 122.647 122.820 -0.009 0.000 1.969 206 A HA -0.259 4.061 4.320 0.000 0.000 0.218 206 A C 2.435 180.032 177.584 0.023 0.000 1.169 206 A CA 1.889 53.981 52.037 0.092 0.000 0.635 206 A CB -1.010 18.063 19.000 0.122 0.000 0.810 206 A HN 0.789 nan 8.150 nan 0.000 0.445 207 C N -1.941 117.305 119.300 -0.089 0.000 2.435 207 C HA 0.044 4.504 4.460 0.000 0.000 0.279 207 C C 2.252 177.179 174.990 -0.105 0.000 1.321 207 C CA 0.844 59.768 59.018 -0.157 0.000 1.752 207 C CB -1.670 25.890 27.740 -0.301 0.000 1.959 207 C HN 0.440 nan 8.230 nan 0.000 0.500 208 F N 1.909 121.893 119.950 0.056 0.000 2.293 208 F HA 0.095 4.623 4.527 0.000 0.000 0.297 208 F C 2.224 178.028 175.800 0.006 0.000 1.089 208 F CA 1.504 59.531 58.000 0.046 0.000 1.377 208 F CB -0.735 38.251 39.000 -0.024 0.000 1.051 208 F HN 0.184 nan 8.300 nan 0.000 0.511 209 D N 0.362 120.869 120.400 0.180 0.000 2.097 209 D HA -0.168 4.472 4.640 0.000 0.000 0.195 209 D C 2.419 178.775 176.300 0.095 0.000 0.989 209 D CA 1.478 55.547 54.000 0.115 0.000 0.827 209 D CB -0.709 40.166 40.800 0.125 0.000 0.966 209 D HN 0.191 nan 8.370 nan 0.000 0.456 210 A N 1.098 123.969 122.820 0.087 0.000 1.958 210 A HA -0.192 4.128 4.320 0.000 0.000 0.221 210 A C 2.196 179.821 177.584 0.068 0.000 1.178 210 A CA 1.735 53.809 52.037 0.060 0.000 0.642 210 A CB -0.832 18.190 19.000 0.037 0.000 0.816 210 A HN 0.496 nan 8.150 nan 0.000 0.453 211 I N -5.884 114.752 120.570 0.110 0.000 4.018 211 I HA 0.275 4.445 4.170 0.000 0.000 0.337 211 I C 0.411 176.594 176.117 0.110 0.000 1.327 211 I CA -0.146 61.224 61.300 0.116 0.000 1.100 211 I CB 0.043 38.146 38.000 0.172 0.000 1.025 211 I HN 0.180 nan 8.210 nan 0.000 0.396 212 R N 0.929 121.484 120.500 0.091 0.000 3.416 212 R HA -0.217 4.123 4.340 0.000 0.000 0.263 212 R C 1.133 177.447 176.300 0.024 0.000 1.053 212 R CA 0.458 56.584 56.100 0.044 0.000 0.705 212 R CB -2.074 28.244 30.300 0.030 0.000 1.124 212 R HN 0.666 nan 8.270 nan 0.000 0.444 213 A N 0.285 123.131 122.820 0.043 0.000 1.975 213 A HA -0.009 4.311 4.320 0.000 0.000 0.215 213 A C 1.217 178.557 177.584 -0.405 0.000 1.170 213 A CA 1.347 53.380 52.037 -0.005 0.000 0.656 213 A CB 0.146 19.291 19.000 0.243 0.000 0.821 213 A HN 0.522 nan 8.150 nan 0.000 0.449 214 T N -2.330 111.894 114.554 -0.550 0.000 2.922 214 T HA 0.447 4.797 4.350 0.000 0.000 0.285 214 T C 0.218 174.730 174.700 -0.315 0.000 1.005 214 T CA 0.018 61.683 62.100 -0.726 0.000 1.061 214 T CB 1.090 69.559 68.868 -0.665 0.000 1.007 214 T HN 0.132 nan 8.240 nan 0.000 0.502 215 T N 0.314 114.716 114.554 -0.253 0.000 2.903 215 T HA 0.385 4.735 4.350 0.000 0.000 0.314 215 T C 1.078 175.726 174.700 -0.087 0.000 1.078 215 T CA -0.031 61.995 62.100 -0.125 0.000 1.114 215 T CB -0.042 68.774 68.868 -0.087 0.000 0.987 215 T HN 0.881 nan 8.240 nan 0.000 0.548 216 A N 4.338 127.128 122.820 -0.051 0.000 2.503 216 A HA 0.314 4.634 4.320 0.000 0.000 0.263 216 A C 1.071 178.642 177.584 -0.020 0.000 1.258 216 A CA -0.294 51.726 52.037 -0.028 0.000 0.936 216 A CB 0.096 19.086 19.000 -0.016 0.000 1.070 216 A HN 0.817 nan 8.150 nan 0.000 0.522 217 R N 1.657 122.142 120.500 -0.024 0.000 3.710 217 R HA 0.120 4.460 4.340 0.000 0.000 0.201 217 R C -0.116 176.173 176.300 -0.019 0.000 1.641 217 R CA -0.358 55.734 56.100 -0.014 0.000 1.390 217 R CB -0.133 30.163 30.300 -0.007 0.000 1.341 217 R HN 0.350 nan 8.270 nan 0.000 0.728 218 N N 1.287 119.977 118.700 -0.017 0.000 2.515 218 N HA -0.121 4.619 4.740 0.000 0.000 0.185 218 N C 0.830 176.328 175.510 -0.020 0.000 1.109 218 N CA 0.756 53.792 53.050 -0.022 0.000 0.903 218 N CB 0.205 38.684 38.487 -0.014 0.000 0.969 218 N HN 0.561 nan 8.380 nan 0.000 0.450 219 D N -0.440 119.954 120.400 -0.011 0.000 2.289 219 D HA -0.086 4.554 4.640 0.000 0.000 0.207 219 D C -0.115 176.183 176.300 -0.003 0.000 0.966 219 D CA 0.620 54.616 54.000 -0.005 0.000 0.868 219 D CB 0.115 40.916 40.800 0.002 0.000 0.943 219 D HN -0.078 nan 8.370 nan 0.000 0.514 220 D N 0.013 120.410 120.400 -0.004 0.000 2.656 220 D HA 0.222 4.862 4.640 0.000 0.000 0.303 220 D C -2.020 174.251 176.300 -0.049 0.000 1.199 220 D CA -2.032 51.969 54.000 0.002 0.000 0.797 220 D CB 1.447 42.289 40.800 0.070 0.000 1.170 220 D HN -0.192 nan 8.370 nan 0.000 0.509 221 P HA -0.141 nan 4.420 nan 0.000 0.216 221 P C 0.842 178.038 177.300 -0.172 0.000 1.150 221 P CA 1.082 64.117 63.100 -0.108 0.000 0.843 221 P CB 0.454 32.092 31.700 -0.104 0.000 0.787 222 E N -1.973 118.044 120.200 -0.306 0.000 2.409 222 E HA -0.141 4.209 4.350 0.000 0.000 0.198 222 E C 0.758 176.958 176.600 -0.666 0.000 1.024 222 E CA 0.942 57.034 56.400 -0.514 0.000 0.861 222 E CB -0.479 28.803 29.700 -0.697 0.000 0.788 222 E HN 0.510 nan 8.360 nan 0.000 0.521 223 H N -2.443 116.618 119.070 -0.015 0.000 2.865 223 H HA 0.442 4.998 4.556 0.000 0.000 0.247 223 H C 1.004 176.324 175.328 -0.014 0.000 1.181 223 H CA 0.341 56.382 56.048 -0.012 0.000 0.975 223 H CB 0.373 30.129 29.762 -0.010 0.000 1.899 223 H HN 0.138 nan 8.280 nan 0.000 0.651 224 A N 0.802 123.637 122.820 0.026 0.000 1.969 224 A HA -0.072 4.248 4.320 0.000 0.000 0.218 224 A C 1.563 179.151 177.584 0.008 0.000 1.169 224 A CA 0.928 52.970 52.037 0.009 0.000 0.635 224 A CB 0.006 18.990 19.000 -0.027 0.000 0.810 224 A HN 0.184 nan 8.150 nan 0.000 0.445 225 S N 0.494 116.201 115.700 0.013 0.000 2.411 225 S HA 0.402 4.872 4.470 0.000 0.000 0.304 225 S C 0.005 174.611 174.600 0.010 0.000 1.098 225 S CA -0.600 57.605 58.200 0.010 0.000 1.068 225 S CB -0.320 62.889 63.200 0.015 0.000 1.032 225 S HN 0.412 nan 8.310 nan 0.000 0.511 226 R N 4.981 125.475 120.500 -0.010 0.000 2.868 226 R HA 0.294 4.634 4.340 0.000 0.000 0.289 226 R C -2.712 173.548 176.300 -0.068 0.000 1.443 226 R CA -1.767 54.326 56.100 -0.012 0.000 1.651 226 R CB 0.871 31.172 30.300 0.002 0.000 1.242 226 R HN 0.468 nan 8.270 nan 0.000 0.621 227 P HA -0.041 nan 4.420 nan 0.000 0.268 227 P C -0.042 177.083 177.300 -0.292 0.000 1.205 227 P CA 0.325 63.219 63.100 -0.343 0.000 0.771 227 P CB 0.351 31.821 31.700 -0.384 0.000 0.858 228 F N -2.221 117.602 119.950 -0.212 0.000 2.825 228 F HA -0.251 4.276 4.527 0.000 0.000 0.358 228 F C 0.900 176.598 175.800 -0.170 0.000 0.639 228 F CA 1.115 58.911 58.000 -0.341 0.000 1.153 228 F CB -1.509 36.980 39.000 -0.850 0.000 1.610 228 F HN 0.310 nan 8.300 nan 0.000 0.305 229 D N 1.252 121.658 120.400 0.011 0.000 2.345 229 D HA 0.265 4.905 4.640 0.000 0.000 0.247 229 D C 1.424 177.736 176.300 0.021 0.000 1.108 229 D CA 0.763 54.782 54.000 0.032 0.000 0.894 229 D CB 1.543 42.356 40.800 0.021 0.000 1.203 229 D HN 0.200 nan 8.370 nan 0.000 0.430 230 G N 1.579 110.400 108.800 0.035 0.000 2.498 230 G HA2 -0.205 3.755 3.960 0.000 0.000 0.219 230 G HA3 -0.205 3.755 3.960 0.000 0.000 0.219 230 G C 1.285 176.195 174.900 0.017 0.000 1.119 230 G CA 1.266 46.384 45.100 0.030 0.000 0.766 230 G HN 0.602 nan 8.290 nan 0.000 0.552 231 T N -1.509 113.052 114.554 0.012 0.000 3.092 231 T HA 0.223 4.573 4.350 0.000 0.000 0.258 231 T C 1.063 175.763 174.700 -0.001 0.000 1.031 231 T CA -0.586 61.517 62.100 0.006 0.000 0.925 231 T CB -0.019 68.853 68.868 0.008 0.000 1.036 231 T HN 0.489 nan 8.240 nan 0.000 0.544 232 R N 1.800 122.295 120.500 -0.009 0.000 2.734 232 R HA 0.268 4.608 4.340 0.000 0.000 0.266 232 R C -0.549 175.740 176.300 -0.018 0.000 1.044 232 R CA 0.291 56.378 56.100 -0.021 0.000 1.128 232 R CB 0.087 30.359 30.300 -0.047 0.000 1.010 232 R HN 0.314 nan 8.270 nan 0.000 0.461 233 D N 0.531 120.917 120.400 -0.023 0.000 3.007 233 D HA 0.247 4.887 4.640 0.000 0.000 0.363 233 D C -0.044 176.233 176.300 -0.039 0.000 1.474 233 D CA 0.044 54.031 54.000 -0.022 0.000 0.767 233 D CB 0.369 41.157 40.800 -0.019 0.000 1.227 233 D HN 0.947 nan 8.370 nan 0.000 0.471 234 G N 0.204 108.984 108.800 -0.033 0.000 2.440 234 G HA2 0.240 4.200 3.960 0.000 0.000 0.684 234 G HA3 0.240 4.200 3.960 0.000 0.000 0.684 234 G C -0.510 174.368 174.900 -0.037 0.000 1.309 234 G CA -0.683 44.382 45.100 -0.058 0.000 0.931 234 G HN 0.343 nan 8.290 nan 0.000 0.612 235 F N -0.775 119.124 119.950 -0.086 0.000 2.348 235 F HA 0.847 5.374 4.527 0.000 0.000 0.308 235 F C 0.324 176.068 175.800 -0.094 0.000 1.175 235 F CA -1.387 56.557 58.000 -0.093 0.000 1.080 235 F CB 0.919 39.882 39.000 -0.061 0.000 1.341 235 F HN 0.428 nan 8.300 nan 0.000 0.518 236 V N 2.728 122.776 119.914 0.223 0.000 2.417 236 V HA 0.264 4.384 4.120 0.000 0.000 0.291 236 V C -0.358 175.870 176.094 0.224 0.000 1.024 236 V CA -0.897 61.447 62.300 0.074 0.000 0.861 236 V CB 1.268 33.112 31.823 0.035 0.000 0.985 236 V HN 0.799 nan 8.190 nan 0.000 0.436 237 L N 5.287 126.564 121.223 0.090 0.000 2.490 237 L HA 0.579 4.919 4.340 0.000 0.000 0.274 237 L C 0.299 177.215 176.870 0.076 0.000 1.201 237 L CA 0.956 55.877 54.840 0.135 0.000 0.869 237 L CB 0.421 42.531 42.059 0.084 0.000 1.123 237 L HN 0.870 nan 8.230 nan 0.000 0.484 238 A N 4.527 127.389 122.820 0.070 0.000 2.594 238 A HA 0.752 5.072 4.320 0.000 0.000 0.291 238 A C -1.126 176.481 177.584 0.038 0.000 1.105 238 A CA -0.512 51.555 52.037 0.049 0.000 0.694 238 A CB 1.260 20.302 19.000 0.069 0.000 1.291 238 A HN 0.786 nan 8.150 nan 0.000 0.410 239 E N -0.127 120.105 120.200 0.054 0.000 2.299 239 E HA 0.836 5.186 4.350 0.000 0.000 0.260 239 E C 0.029 176.690 176.600 0.102 0.000 0.944 239 E CA -0.724 55.693 56.400 0.027 0.000 0.815 239 E CB 2.125 31.830 29.700 0.008 0.000 1.252 239 E HN 1.886 nan 8.360 nan 0.000 0.418 240 G N -0.878 107.987 108.800 0.109 0.000 2.352 240 G HA2 0.498 4.458 3.960 0.000 0.000 0.302 240 G HA3 0.498 4.458 3.960 0.000 0.000 0.302 240 G C -1.763 173.251 174.900 0.191 0.000 1.370 240 G CA -0.365 44.873 45.100 0.230 0.000 0.918 240 G HN 0.989 nan 8.290 nan 0.000 0.610 241 A N -1.248 121.656 122.820 0.140 0.000 2.608 241 A HA 1.153 5.473 4.320 0.000 0.000 0.292 241 A C -0.472 177.067 177.584 -0.073 0.000 1.066 241 A CA 0.294 52.368 52.037 0.062 0.000 0.676 241 A CB 1.214 20.310 19.000 0.159 0.000 1.277 241 A HN 2.692 nan 8.150 nan 0.000 0.413 242 A N 0.437 123.192 122.820 -0.109 0.000 2.566 242 A HA 0.814 5.134 4.320 0.000 0.000 0.297 242 A C -1.242 176.136 177.584 -0.344 0.000 1.059 242 A CA -0.267 51.603 52.037 -0.278 0.000 0.691 242 A CB 1.444 20.276 19.000 -0.280 0.000 1.282 242 A HN 1.421 nan 8.150 nan 0.000 0.401 243 M N 1.148 120.430 119.600 -0.530 0.000 2.572 243 M HA 0.873 5.353 4.480 0.000 0.000 0.299 243 M C -1.747 174.135 176.300 -0.697 0.000 1.205 243 M CA -0.662 54.406 55.300 -0.387 0.000 0.876 243 M CB 1.651 34.204 32.600 -0.079 0.000 1.728 243 M HN 0.597 nan 8.290 nan 0.000 0.458 244 F N 0.801 120.755 119.950 0.007 0.000 2.620 244 F HA 0.797 5.324 4.527 0.000 0.000 0.320 244 F C -0.650 175.053 175.800 -0.161 0.000 1.069 244 F CA -1.099 56.871 58.000 -0.051 0.000 0.953 244 F CB 1.532 40.498 39.000 -0.056 0.000 1.322 244 F HN 0.144 nan 8.300 nan 0.000 0.479 245 V N 3.437 123.336 119.914 -0.026 0.000 2.370 245 V HA 0.484 4.604 4.120 0.000 0.000 0.283 245 V C -0.375 175.610 176.094 -0.182 0.000 1.023 245 V CA -0.612 61.475 62.300 -0.355 0.000 0.857 245 V CB 1.374 32.978 31.823 -0.364 0.000 0.985 245 V HN 0.489 nan 8.190 nan 0.000 0.443 246 L N 5.529 126.611 121.223 -0.235 0.000 2.342 246 L HA 0.817 5.157 4.340 0.000 0.000 0.271 246 L C -0.225 176.563 176.870 -0.138 0.000 1.008 246 L CA -0.491 54.269 54.840 -0.134 0.000 0.818 246 L CB 2.126 44.120 42.059 -0.108 0.000 1.296 246 L HN 0.805 nan 8.230 nan 0.000 0.427 247 E N -0.216 119.939 120.200 -0.075 0.000 2.437 247 E HA 0.223 4.573 4.350 0.000 0.000 0.280 247 E C -1.777 174.821 176.600 -0.003 0.000 1.044 247 E CA -1.012 55.358 56.400 -0.051 0.000 0.826 247 E CB 1.585 31.249 29.700 -0.060 0.000 1.358 247 E HN 0.401 nan 8.360 nan 0.000 0.459 248 D N 0.212 120.615 120.400 0.005 0.000 2.488 248 D HA -0.106 4.534 4.640 0.000 0.000 0.238 248 D C 0.306 176.654 176.300 0.080 0.000 1.138 248 D CA 0.279 54.301 54.000 0.037 0.000 0.873 248 D CB 0.443 41.253 40.800 0.017 0.000 1.183 248 D HN 0.543 nan 8.370 nan 0.000 0.458 249 Y N 3.590 123.871 120.300 -0.031 0.000 2.128 249 Y HA -0.207 4.343 4.550 0.000 0.000 0.284 249 Y C 1.525 177.409 175.900 -0.027 0.000 1.154 249 Y CA 1.945 60.026 58.100 -0.031 0.000 1.149 249 Y CB -0.143 38.301 38.460 -0.027 0.000 0.976 249 Y HN 0.465 nan 8.280 nan 0.000 0.505 250 D N -0.951 119.366 120.400 -0.139 0.000 2.117 250 D HA -0.193 4.447 4.640 0.000 0.000 0.197 250 D C 2.471 178.671 176.300 -0.166 0.000 0.987 250 D CA 1.656 55.518 54.000 -0.229 0.000 0.829 250 D CB -0.650 40.087 40.800 -0.105 0.000 0.961 250 D HN 0.377 nan 8.370 nan 0.000 0.460 251 S N 0.197 115.845 115.700 -0.085 0.000 2.368 251 S HA -0.150 4.320 4.470 0.000 0.000 0.225 251 S C 2.050 176.609 174.600 -0.068 0.000 1.030 251 S CA 1.557 59.721 58.200 -0.060 0.000 0.999 251 S CB -0.164 63.018 63.200 -0.030 0.000 0.844 251 S HN 0.242 nan 8.310 nan 0.000 0.459 252 A N 1.511 124.290 122.820 -0.068 0.000 1.883 252 A HA 0.019 4.339 4.320 0.000 0.000 0.217 252 A C 2.256 179.785 177.584 -0.092 0.000 1.186 252 A CA 1.615 53.620 52.037 -0.054 0.000 0.624 252 A CB -0.899 18.100 19.000 -0.001 0.000 0.822 252 A HN 0.581 nan 8.150 nan 0.000 0.444 253 L N -0.789 120.325 121.223 -0.182 0.000 1.994 253 L HA -0.202 4.138 4.340 0.000 0.000 0.208 253 L C 3.140 179.935 176.870 -0.126 0.000 1.071 253 L CA 1.111 55.835 54.840 -0.193 0.000 0.745 253 L CB -0.689 41.165 42.059 -0.342 0.000 0.892 253 L HN 0.435 nan 8.230 nan 0.000 0.431 254 A N 1.104 123.852 122.820 -0.121 0.000 1.927 254 A HA -0.257 4.063 4.320 0.000 0.000 0.220 254 A C 2.210 179.762 177.584 -0.053 0.000 1.185 254 A CA 2.284 54.274 52.037 -0.079 0.000 0.639 254 A CB -0.702 18.258 19.000 -0.068 0.000 0.820 254 A HN 0.614 nan 8.150 nan 0.000 0.451 255 R N -0.928 119.545 120.500 -0.046 0.000 2.356 255 R HA 0.356 4.696 4.340 0.000 0.000 0.234 255 R C 0.909 177.193 176.300 -0.026 0.000 0.929 255 R CA 0.593 56.677 56.100 -0.026 0.000 1.084 255 R CB -0.831 29.462 30.300 -0.013 0.000 1.105 255 R HN 0.817 nan 8.270 nan 0.000 0.515 256 G N 0.737 109.514 108.800 -0.040 0.000 2.323 256 G HA2 -0.317 3.643 3.960 0.000 0.000 0.292 256 G HA3 -0.317 3.643 3.960 0.000 0.000 0.292 256 G C 0.224 175.104 174.900 -0.033 0.000 1.040 256 G CA 0.249 45.327 45.100 -0.037 0.000 0.942 256 G HN 0.715 nan 8.290 nan 0.000 0.506 257 A N -0.368 122.428 122.820 -0.039 0.000 2.304 257 A HA 0.758 5.078 4.320 0.000 0.000 0.271 257 A C 0.852 178.394 177.584 -0.070 0.000 1.091 257 A CA -0.032 51.982 52.037 -0.039 0.000 0.812 257 A CB 0.458 19.439 19.000 -0.031 0.000 1.056 257 A HN 0.799 nan 8.150 nan 0.000 0.489 258 R N 1.678 122.113 120.500 -0.109 0.000 2.210 258 R HA 0.397 4.737 4.340 0.000 0.000 0.338 258 R C -1.191 174.906 176.300 -0.338 0.000 1.062 258 R CA -0.184 55.787 56.100 -0.215 0.000 0.902 258 R CB -0.076 30.072 30.300 -0.253 0.000 1.050 258 R HN 0.651 nan 8.270 nan 0.000 0.461 259 I N 5.804 126.244 120.570 -0.217 0.000 2.308 259 I HA 0.045 4.215 4.170 0.000 0.000 0.293 259 I C 1.153 177.154 176.117 -0.194 0.000 1.078 259 I CA -0.415 60.800 61.300 -0.142 0.000 1.292 259 I CB 0.942 38.955 38.000 0.022 0.000 1.423 259 I HN 0.689 nan 8.210 nan 0.000 0.493 260 H N 5.406 124.471 119.070 -0.008 0.000 2.436 260 H HA 0.319 4.875 4.556 0.000 0.000 0.294 260 H C 0.688 175.988 175.328 -0.046 0.000 1.048 260 H CA 0.723 56.752 56.048 -0.031 0.000 1.353 260 H CB 0.499 30.254 29.762 -0.013 0.000 1.414 260 H HN 0.709 nan 8.280 nan 0.000 0.536 261 A N 0.211 123.066 122.820 0.059 0.000 2.522 261 A HA 0.348 4.668 4.320 0.000 0.000 0.291 261 A C -1.386 176.167 177.584 -0.052 0.000 1.039 261 A CA -0.704 51.327 52.037 -0.010 0.000 0.643 261 A CB 1.546 20.538 19.000 -0.014 0.000 1.310 261 A HN 0.160 nan 8.150 nan 0.000 0.436 262 E N 0.512 120.657 120.200 -0.091 0.000 2.210 262 E HA 0.614 4.964 4.350 0.000 0.000 0.266 262 E C -1.470 175.068 176.600 -0.104 0.000 0.883 262 E CA -0.635 55.688 56.400 -0.129 0.000 0.761 262 E CB 1.146 30.716 29.700 -0.217 0.000 1.156 262 E HN 0.499 nan 8.360 nan 0.000 0.412 263 I N 4.698 125.209 120.570 -0.099 0.000 2.278 263 I HA 0.013 4.183 4.170 0.000 0.000 0.296 263 I C 1.198 177.281 176.117 -0.056 0.000 1.121 263 I CA 0.041 61.295 61.300 -0.077 0.000 1.267 263 I CB 0.765 38.711 38.000 -0.091 0.000 1.447 263 I HN 0.532 nan 8.210 nan 0.000 0.509 264 S N 3.148 118.819 115.700 -0.049 0.000 2.528 264 S HA 0.272 4.742 4.470 0.000 0.000 0.219 264 S C 0.785 175.380 174.600 -0.008 0.000 0.985 264 S CA 0.035 58.209 58.200 -0.042 0.000 0.914 264 S CB 0.267 63.435 63.200 -0.053 0.000 0.776 264 S HN 0.661 nan 8.310 nan 0.000 0.526 265 G N -0.132 108.680 108.800 0.019 0.000 2.755 265 G HA2 0.515 4.475 3.960 0.000 0.000 0.297 265 G HA3 0.515 4.475 3.960 0.000 0.000 0.297 265 G C -2.160 172.813 174.900 0.121 0.000 1.441 265 G CA -0.740 44.389 45.100 0.049 0.000 0.964 265 G HN 0.268 nan 8.290 nan 0.000 0.540 266 Y N 0.665 120.956 120.300 -0.015 0.000 2.519 266 Y HA 0.784 5.334 4.550 0.000 0.000 0.336 266 Y C -0.824 175.078 175.900 0.005 0.000 1.089 266 Y CA -0.309 57.786 58.100 -0.008 0.000 1.025 266 Y CB 1.991 40.442 38.460 -0.015 0.000 1.318 266 Y HN 1.388 nan 8.280 nan 0.000 0.452 267 A N 2.962 125.190 122.820 -0.985 0.000 2.612 267 A HA 0.751 5.071 4.320 0.000 0.000 0.293 267 A C -1.478 175.672 177.584 -0.722 0.000 1.075 267 A CA -0.271 51.337 52.037 -0.715 0.000 0.680 267 A CB 1.814 20.645 19.000 -0.281 0.000 1.279 267 A HN 0.880 nan 8.150 nan 0.000 0.411 268 T N 0.494 114.817 114.554 -0.384 0.000 2.956 268 T HA 0.727 5.077 4.350 0.000 0.000 0.312 268 T C -1.294 173.389 174.700 -0.028 0.000 1.151 268 T CA -0.572 61.441 62.100 -0.145 0.000 1.024 268 T CB 0.939 69.798 68.868 -0.014 0.000 1.140 268 T HN 0.778 nan 8.240 nan 0.000 0.473 269 R N 1.583 122.099 120.500 0.028 0.000 2.795 269 R HA 0.701 5.041 4.340 0.000 0.000 0.268 269 R C -1.278 175.048 176.300 0.043 0.000 1.041 269 R CA -0.487 55.629 56.100 0.028 0.000 0.927 269 R CB 1.356 31.657 30.300 0.002 0.000 1.235 269 R HN 0.733 nan 8.270 nan 0.000 0.463 270 C N -0.012 119.286 119.300 -0.004 0.000 2.614 270 C HA 0.398 4.858 4.460 0.000 0.000 0.320 270 C C 1.856 176.828 174.990 -0.031 0.000 1.200 270 C CA -0.705 58.274 59.018 -0.064 0.000 1.700 270 C CB 1.507 29.149 27.740 -0.164 0.000 2.275 270 C HN 0.818 nan 8.230 nan 0.000 0.492 271 N N 1.302 119.988 118.700 -0.024 0.000 2.106 271 N HA -0.006 4.734 4.740 0.000 0.000 0.188 271 N C 1.209 176.752 175.510 0.055 0.000 1.029 271 N CA 1.084 54.160 53.050 0.043 0.000 0.848 271 N CB -0.130 38.419 38.487 0.102 0.000 1.007 271 N HN 0.936 nan 8.380 nan 0.000 0.423 272 A N -0.538 122.286 122.820 0.007 0.000 2.860 272 A HA -0.252 4.068 4.320 0.000 0.000 0.267 272 A C 0.650 178.288 177.584 0.090 0.000 1.421 272 A CA 1.383 53.423 52.037 0.005 0.000 0.831 272 A CB -2.359 16.643 19.000 0.005 0.000 1.041 272 A HN 0.684 nan 8.150 nan 0.000 0.623 273 Y N -0.755 119.526 120.300 -0.031 0.000 2.583 273 Y HA 0.456 5.006 4.550 0.000 0.000 0.270 273 Y C 0.923 176.857 175.900 0.057 0.000 1.113 273 Y CA 1.435 59.542 58.100 0.012 0.000 1.307 273 Y CB 0.427 38.902 38.460 0.025 0.000 1.369 273 Y HN 0.650 nan 8.280 nan 0.000 0.506 274 H N -0.192 118.701 119.070 -0.296 0.000 3.012 274 H HA 0.280 4.836 4.556 0.000 0.000 0.367 274 H C 0.431 175.630 175.328 -0.214 0.000 1.211 274 H CA -0.453 55.357 56.048 -0.397 0.000 1.139 274 H CB 1.897 31.278 29.762 -0.635 0.000 1.838 274 H HN 0.201 nan 8.280 nan 0.000 0.550 275 M N 1.602 120.845 119.600 -0.596 0.000 2.374 275 M HA -0.072 4.408 4.480 0.000 0.000 0.264 275 M C 1.393 177.510 176.300 -0.304 0.000 1.067 275 M CA 1.830 56.916 55.300 -0.356 0.000 1.103 275 M CB -0.777 31.581 32.600 -0.403 0.000 1.402 275 M HN 0.725 nan 8.290 nan 0.000 0.444 276 T N -4.635 109.853 114.554 -0.110 0.000 3.098 276 T HA 0.232 4.582 4.350 0.000 0.000 0.256 276 T C 1.024 175.794 174.700 0.117 0.000 0.921 276 T CA 0.299 62.219 62.100 -0.300 0.000 0.916 276 T CB -0.274 68.202 68.868 -0.652 0.000 1.246 276 T HN 0.255 nan 8.240 nan 0.000 0.511 277 G N 1.795 110.699 108.800 0.173 0.000 2.527 277 G HA2 0.596 4.556 3.960 0.000 0.000 0.248 277 G HA3 0.596 4.556 3.960 0.000 0.000 0.248 277 G C -0.746 174.256 174.900 0.171 0.000 1.231 277 G CA -0.554 44.527 45.100 -0.031 0.000 0.838 277 G HN 0.493 nan 8.290 nan 0.000 0.570 278 L N 0.236 121.540 121.223 0.136 0.000 2.333 278 L HA 0.501 4.841 4.340 0.000 0.000 0.269 278 L C 0.273 177.177 176.870 0.056 0.000 1.010 278 L CA -0.939 53.927 54.840 0.044 0.000 0.818 278 L CB 2.330 44.243 42.059 -0.243 0.000 1.306 278 L HN 0.401 nan 8.230 nan 0.000 0.430 279 K N 0.786 121.131 120.400 -0.091 0.000 2.234 279 K HA 0.408 4.728 4.320 0.000 0.000 0.277 279 K C 0.778 177.375 176.600 -0.004 0.000 1.038 279 K CA -0.107 56.025 56.287 -0.259 0.000 0.888 279 K CB 1.736 33.895 32.500 -0.567 0.000 1.091 279 K HN 0.742 nan 8.250 nan 0.000 0.467 280 A N 3.992 126.804 122.820 -0.013 0.000 1.971 280 A HA -0.308 4.012 4.320 0.000 0.000 0.222 280 A C 1.397 178.977 177.584 -0.006 0.000 1.182 280 A CA 2.533 54.584 52.037 0.024 0.000 0.649 280 A CB -0.826 18.175 19.000 0.002 0.000 0.818 280 A HN 1.011 nan 8.150 nan 0.000 0.458 281 D N -1.746 118.628 120.400 -0.043 0.000 2.190 281 D HA 0.138 4.778 4.640 0.000 0.000 0.200 281 D C 1.401 177.640 176.300 -0.103 0.000 0.992 281 D CA 1.386 55.348 54.000 -0.063 0.000 0.854 281 D CB -0.850 39.909 40.800 -0.068 0.000 0.936 281 D HN 1.096 nan 8.370 nan 0.000 0.462 282 G N 0.628 109.359 108.800 -0.115 0.000 2.179 282 G HA2 -0.468 3.493 3.960 0.000 0.000 0.257 282 G HA3 -0.468 3.493 3.960 0.000 0.000 0.257 282 G C 0.863 175.671 174.900 -0.154 0.000 1.010 282 G CA 0.662 45.577 45.100 -0.308 0.000 0.736 282 G HN 0.571 nan 8.290 nan 0.000 0.513 283 R N 0.164 120.620 120.500 -0.072 0.000 2.103 283 R HA -0.176 4.164 4.340 0.000 0.000 0.234 283 R C 2.313 178.595 176.300 -0.031 0.000 1.132 283 R CA 2.479 58.549 56.100 -0.049 0.000 0.925 283 R CB -0.360 29.917 30.300 -0.040 0.000 0.842 283 R HN 0.453 nan 8.270 nan 0.000 0.430 284 E N 0.162 120.360 120.200 -0.003 0.000 2.118 284 E HA -0.226 4.124 4.350 0.000 0.000 0.195 284 E C 1.779 178.383 176.600 0.007 0.000 0.992 284 E CA 1.760 58.165 56.400 0.009 0.000 0.804 284 E CB -0.259 29.457 29.700 0.028 0.000 0.741 284 E HN 0.311 nan 8.360 nan 0.000 0.458 285 M N 0.497 120.103 119.600 0.011 0.000 2.117 285 M HA -0.055 4.425 4.480 0.000 0.000 0.262 285 M C 1.999 178.274 176.300 -0.042 0.000 1.065 285 M CA 1.845 57.137 55.300 -0.013 0.000 1.114 285 M CB -0.530 32.029 32.600 -0.070 0.000 1.361 285 M HN 0.093 nan 8.290 nan 0.000 0.408 286 A N -0.605 122.176 122.820 -0.065 0.000 1.908 286 A HA -0.215 4.105 4.320 0.000 0.000 0.218 286 A C 2.076 179.650 177.584 -0.016 0.000 1.181 286 A CA 2.160 54.174 52.037 -0.038 0.000 0.627 286 A CB -1.019 17.954 19.000 -0.045 0.000 0.818 286 A HN 0.621 nan 8.150 nan 0.000 0.445 287 E N -0.178 120.011 120.200 -0.019 0.000 2.077 287 E HA -0.131 4.219 4.350 0.000 0.000 0.193 287 E C 1.965 178.553 176.600 -0.020 0.000 0.989 287 E CA 2.092 58.482 56.400 -0.016 0.000 0.800 287 E CB -0.636 29.055 29.700 -0.015 0.000 0.746 287 E HN 0.522 nan 8.360 nan 0.000 0.452 288 T N 0.814 115.355 114.554 -0.022 0.000 2.720 288 T HA -0.122 4.228 4.350 0.000 0.000 0.268 288 T C 1.885 176.566 174.700 -0.033 0.000 1.037 288 T CA 1.542 63.619 62.100 -0.039 0.000 1.144 288 T CB -0.273 68.576 68.868 -0.033 0.000 0.864 288 T HN 0.184 nan 8.240 nan 0.000 0.444 289 I N 0.678 121.246 120.570 -0.003 0.000 2.202 289 I HA -0.156 4.014 4.170 0.000 0.000 0.242 289 I C 2.853 178.972 176.117 0.003 0.000 1.091 289 I CA 1.225 62.536 61.300 0.018 0.000 1.368 289 I CB -0.448 37.589 38.000 0.060 0.000 1.058 289 I HN 0.134 nan 8.210 nan 0.000 0.410 290 R N 1.134 121.633 120.500 -0.001 0.000 2.083 290 R HA -0.170 4.170 4.340 0.000 0.000 0.237 290 R C 2.298 178.589 176.300 -0.016 0.000 1.137 290 R CA 1.900 57.996 56.100 -0.006 0.000 0.951 290 R CB -0.247 30.049 30.300 -0.008 0.000 0.851 290 R HN 0.174 nan 8.270 nan 0.000 0.434 291 V N 1.062 120.961 119.914 -0.026 0.000 2.295 291 V HA -0.221 3.899 4.120 0.000 0.000 0.246 291 V C 2.552 178.624 176.094 -0.037 0.000 1.049 291 V CA 1.925 64.204 62.300 -0.034 0.000 1.024 291 V CB -0.863 30.930 31.823 -0.049 0.000 0.648 291 V HN 0.561 nan 8.190 nan 0.000 0.447 292 A N -0.393 122.398 122.820 -0.047 0.000 1.933 292 A HA -0.149 4.171 4.320 0.000 0.000 0.218 292 A C 2.243 179.819 177.584 -0.014 0.000 1.175 292 A CA 1.759 53.773 52.037 -0.037 0.000 0.628 292 A CB -0.502 18.475 19.000 -0.039 0.000 0.814 292 A HN 0.504 nan 8.150 nan 0.000 0.444 293 L N -0.700 120.516 121.223 -0.013 0.000 2.056 293 L HA -0.159 4.181 4.340 0.000 0.000 0.207 293 L C 2.517 179.378 176.870 -0.014 0.000 1.078 293 L CA 1.603 56.436 54.840 -0.011 0.000 0.749 293 L CB -0.529 41.524 42.059 -0.010 0.000 0.901 293 L HN 0.482 nan 8.230 nan 0.000 0.433 294 D N 0.298 120.689 120.400 -0.014 0.000 2.123 294 D HA -0.278 4.362 4.640 0.000 0.000 0.196 294 D C 1.941 178.235 176.300 -0.011 0.000 0.992 294 D CA 1.587 55.579 54.000 -0.014 0.000 0.833 294 D CB 0.181 40.973 40.800 -0.013 0.000 0.954 294 D HN 0.390 nan 8.370 nan 0.000 0.455 295 E N 0.025 120.219 120.200 -0.009 0.000 2.031 295 E HA -0.168 4.182 4.350 0.000 0.000 0.193 295 E C 1.974 178.570 176.600 -0.006 0.000 0.994 295 E CA 1.262 57.660 56.400 -0.003 0.000 0.800 295 E CB -0.239 29.465 29.700 0.006 0.000 0.752 295 E HN 0.078 nan 8.360 nan 0.000 0.447 296 S N -0.227 115.468 115.700 -0.008 0.000 2.500 296 S HA -0.131 4.339 4.470 0.000 0.000 0.239 296 S C 0.688 175.275 174.600 -0.021 0.000 0.989 296 S CA 1.182 59.373 58.200 -0.016 0.000 0.951 296 S CB -0.392 62.799 63.200 -0.015 0.000 0.759 296 S HN 0.357 nan 8.310 nan 0.000 0.523 297 R N 0.490 120.979 120.500 -0.018 0.000 3.875 297 R HA -0.124 4.216 4.340 0.000 0.000 0.321 297 R C -0.329 175.957 176.300 -0.025 0.000 1.196 297 R CA 1.083 57.171 56.100 -0.020 0.000 0.868 297 R CB -2.845 27.444 30.300 -0.019 0.000 1.333 297 R HN 0.638 nan 8.270 nan 0.000 0.522 298 T N -2.425 112.113 114.554 -0.026 0.000 2.797 298 T HA 0.406 4.756 4.350 0.000 0.000 0.279 298 T C 0.068 174.746 174.700 -0.038 0.000 0.991 298 T CA -1.116 60.965 62.100 -0.032 0.000 0.979 298 T CB 2.203 71.054 68.868 -0.029 0.000 0.943 298 T HN -0.031 nan 8.240 nan 0.000 0.444 299 D N 1.626 121.995 120.400 -0.051 0.000 2.360 299 D HA 0.328 4.968 4.640 0.000 0.000 0.242 299 D C 1.507 177.752 176.300 -0.093 0.000 1.184 299 D CA -0.246 53.713 54.000 -0.069 0.000 0.930 299 D CB 1.207 41.958 40.800 -0.083 0.000 1.161 299 D HN 0.721 nan 8.370 nan 0.000 0.447 300 A N 0.917 123.674 122.820 -0.104 0.000 1.978 300 A HA -0.183 4.137 4.320 0.000 0.000 0.220 300 A C 1.971 179.357 177.584 -0.330 0.000 1.170 300 A CA 2.179 54.148 52.037 -0.114 0.000 0.636 300 A CB -0.898 18.063 19.000 -0.064 0.000 0.810 300 A HN 0.688 nan 8.150 nan 0.000 0.448 301 T N -2.537 111.726 114.554 -0.484 0.000 3.051 301 T HA -0.073 4.277 4.350 0.000 0.000 0.269 301 T C 0.919 175.407 174.700 -0.355 0.000 1.127 301 T CA 1.237 62.863 62.100 -0.790 0.000 1.107 301 T CB -0.263 68.353 68.868 -0.421 0.000 0.898 301 T HN 0.438 nan 8.240 nan 0.000 0.517 302 D N 0.794 121.090 120.400 -0.173 0.000 2.348 302 D HA 0.118 4.758 4.640 0.000 0.000 0.211 302 D C 0.428 176.736 176.300 0.013 0.000 0.998 302 D CA 0.140 54.106 54.000 -0.056 0.000 0.873 302 D CB 0.167 40.939 40.800 -0.046 0.000 0.925 302 D HN 0.383 nan 8.370 nan 0.000 0.524 303 I N 2.439 123.039 120.570 0.049 0.000 2.421 303 I HA -0.017 4.153 4.170 0.000 0.000 0.291 303 I C 0.899 177.115 176.117 0.165 0.000 1.089 303 I CA 0.237 61.594 61.300 0.095 0.000 1.354 303 I CB 0.748 38.796 38.000 0.081 0.000 1.413 303 I HN -0.193 nan 8.210 nan 0.000 0.513 304 D N 5.416 125.885 120.400 0.115 0.000 2.367 304 D HA -0.008 4.632 4.640 0.000 0.000 0.207 304 D C -0.123 176.272 176.300 0.158 0.000 1.034 304 D CA 0.746 54.818 54.000 0.119 0.000 0.861 304 D CB 0.581 41.442 40.800 0.102 0.000 0.943 304 D HN 0.508 nan 8.370 nan 0.000 0.515 305 Y N 0.399 120.691 120.300 -0.013 0.000 2.521 305 Y HA 0.382 4.932 4.550 0.000 0.000 0.328 305 Y C -2.208 173.667 175.900 -0.041 0.000 1.151 305 Y CA -1.250 56.831 58.100 -0.031 0.000 1.054 305 Y CB 0.842 39.307 38.460 0.009 0.000 1.338 305 Y HN -0.284 nan 8.280 nan 0.000 0.453 306 I N 6.104 126.227 120.570 -0.745 0.000 2.410 306 I HA 0.279 4.449 4.170 0.000 0.000 0.286 306 I C -0.538 175.049 176.117 -0.883 0.000 1.009 306 I CA -0.793 60.075 61.300 -0.721 0.000 1.111 306 I CB 1.582 39.243 38.000 -0.564 0.000 1.262 306 I HN 0.628 nan 8.210 nan 0.000 0.443 307 N N 6.602 124.882 118.700 -0.700 0.000 2.521 307 N HA 0.319 5.059 4.740 0.000 0.000 0.236 307 N C -0.108 175.412 175.510 0.016 0.000 1.067 307 N CA -0.085 52.800 53.050 -0.275 0.000 0.939 307 N CB 1.105 39.545 38.487 -0.077 0.000 1.201 307 N HN 0.740 nan 8.380 nan 0.000 0.511 308 A N 2.531 125.441 122.820 0.150 0.000 2.364 308 A HA -0.003 4.317 4.320 0.000 0.000 0.258 308 A C 1.141 178.893 177.584 0.281 0.000 1.131 308 A CA 0.168 52.425 52.037 0.367 0.000 0.800 308 A CB 0.053 19.416 19.000 0.606 0.000 1.086 308 A HN 0.892 nan 8.150 nan 0.000 0.508 309 H N -0.354 118.833 119.070 0.195 0.000 2.329 309 H HA 0.224 4.780 4.556 0.000 0.000 0.306 309 H C 1.518 176.815 175.328 -0.053 0.000 1.062 309 H CA 1.541 57.609 56.048 0.033 0.000 1.364 309 H CB -0.609 29.156 29.762 0.005 0.000 1.409 309 H HN 1.189 nan 8.280 nan 0.000 0.519 310 G N 0.701 109.453 108.800 -0.080 0.000 2.357 310 G HA2 -0.323 3.637 3.960 0.000 0.000 0.282 310 G HA3 -0.323 3.637 3.960 0.000 0.000 0.282 310 G C 1.214 175.835 174.900 -0.464 0.000 0.910 310 G CA 0.973 45.832 45.100 -0.403 0.000 1.267 310 G HN 0.746 nan 8.290 nan 0.000 0.476 311 S N -0.434 114.978 115.700 -0.481 0.000 2.402 311 S HA 0.276 4.746 4.470 0.000 0.000 0.229 311 S C 2.223 176.712 174.600 -0.186 0.000 1.021 311 S CA 1.370 59.297 58.200 -0.456 0.000 0.974 311 S CB 0.033 63.014 63.200 -0.364 0.000 0.800 311 S HN 2.408 nan 8.310 nan 0.000 0.484 312 G N 0.743 109.416 108.800 -0.211 0.000 2.184 312 G HA2 -0.168 3.792 3.960 0.000 0.000 0.206 312 G HA3 -0.168 3.792 3.960 0.000 0.000 0.206 312 G C 0.208 175.071 174.900 -0.062 0.000 0.995 312 G CA 0.136 45.149 45.100 -0.144 0.000 0.651 312 G HN 1.175 nan 8.290 nan 0.000 0.511 313 T N -1.704 112.842 114.554 -0.012 0.000 2.874 313 T HA 0.659 5.010 4.350 0.000 0.000 0.281 313 T C 1.655 176.351 174.700 -0.007 0.000 0.994 313 T CA -0.054 62.068 62.100 0.035 0.000 1.015 313 T CB 1.640 70.582 68.868 0.123 0.000 1.028 313 T HN 0.046 nan 8.240 nan 0.000 0.523 314 R N 1.160 121.667 120.500 0.013 0.000 2.070 314 R HA -0.114 4.226 4.340 0.000 0.000 0.233 314 R C 2.678 178.993 176.300 0.025 0.000 1.137 314 R CA 2.211 58.317 56.100 0.010 0.000 0.945 314 R CB -1.224 29.087 30.300 0.019 0.000 0.845 314 R HN 0.989 nan 8.270 nan 0.000 0.430 315 Q N 0.553 120.379 119.800 0.044 0.000 2.084 315 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 315 Q C 1.908 177.953 176.000 0.075 0.000 0.978 315 Q CA 1.599 57.437 55.803 0.058 0.000 0.844 315 Q CB -0.446 28.325 28.738 0.056 0.000 0.898 315 Q HN 0.299 nan 8.270 nan 0.000 0.426 316 N N 1.288 120.022 118.700 0.058 0.000 2.022 316 N HA -0.206 4.534 4.740 0.000 0.000 0.194 316 N C 1.096 176.655 175.510 0.081 0.000 1.057 316 N CA 1.990 55.083 53.050 0.072 0.000 0.849 316 N CB -0.248 38.281 38.487 0.070 0.000 1.044 316 N HN 0.231 nan 8.380 nan 0.000 0.424 317 D N 0.615 120.977 120.400 -0.063 0.000 2.157 317 D HA -0.220 4.420 4.640 0.000 0.000 0.191 317 D C 2.014 178.391 176.300 0.127 0.000 1.004 317 D CA 0.970 54.883 54.000 -0.145 0.000 0.854 317 D CB -0.497 40.024 40.800 -0.465 0.000 0.936 317 D HN 0.402 nan 8.370 nan 0.000 0.446 318 R N -0.030 120.531 120.500 0.103 0.000 2.075 318 R HA -0.158 4.182 4.340 0.000 0.000 0.232 318 R C 2.349 178.718 176.300 0.114 0.000 1.126 318 R CA 1.192 57.368 56.100 0.126 0.000 0.963 318 R CB -0.364 29.991 30.300 0.091 0.000 0.858 318 R HN 0.409 nan 8.270 nan 0.000 0.435 319 H N 1.583 120.664 119.070 0.017 0.000 2.267 319 H HA -0.174 4.382 4.556 0.000 0.000 0.297 319 H C 1.680 176.967 175.328 -0.069 0.000 1.080 319 H CA 2.308 58.345 56.048 -0.019 0.000 1.278 319 H CB -0.187 29.566 29.762 -0.015 0.000 1.365 319 H HN 0.521 nan 8.280 nan 0.000 0.489 320 E N -0.100 119.999 120.200 -0.170 0.000 2.204 320 E HA -0.105 4.245 4.350 0.000 0.000 0.194 320 E C 2.062 178.330 176.600 -0.553 0.000 0.989 320 E CA 1.372 57.484 56.400 -0.481 0.000 0.824 320 E CB -0.412 29.107 29.700 -0.301 0.000 0.756 320 E HN 0.320 nan 8.360 nan 0.000 0.477 321 T N 1.161 115.668 114.554 -0.078 0.000 2.720 321 T HA -0.151 4.199 4.350 0.000 0.000 0.268 321 T C 1.978 176.692 174.700 0.024 0.000 1.037 321 T CA 1.749 63.932 62.100 0.138 0.000 1.144 321 T CB -0.286 68.745 68.868 0.270 0.000 0.864 321 T HN 0.442 nan 8.240 nan 0.000 0.444 322 A N 1.280 124.058 122.820 -0.069 0.000 1.898 322 A HA 0.219 4.539 4.320 0.000 0.000 0.216 322 A C 2.653 180.162 177.584 -0.125 0.000 1.181 322 A CA 1.738 53.729 52.037 -0.076 0.000 0.620 322 A CB -1.107 17.838 19.000 -0.092 0.000 0.819 322 A HN 0.499 nan 8.150 nan 0.000 0.442 323 A N -1.184 121.468 122.820 -0.280 0.000 1.940 323 A HA -0.106 4.214 4.320 0.000 0.000 0.219 323 A C 2.064 179.589 177.584 -0.098 0.000 1.176 323 A CA 1.706 53.585 52.037 -0.262 0.000 0.631 323 A CB -0.789 17.952 19.000 -0.432 0.000 0.814 323 A HN 0.567 nan 8.150 nan 0.000 0.446 324 Y N 0.183 120.462 120.300 -0.036 0.000 2.163 324 Y HA -0.117 4.433 4.550 0.000 0.000 0.288 324 Y C 2.329 178.218 175.900 -0.018 0.000 1.136 324 Y CA 1.406 59.495 58.100 -0.018 0.000 1.147 324 Y CB -0.501 37.954 38.460 -0.008 0.000 0.987 324 Y HN 0.294 nan 8.280 nan 0.000 0.509 325 K N -0.199 120.288 120.400 0.144 0.000 2.217 325 K HA -0.114 4.206 4.320 0.000 0.000 0.202 325 K C 2.227 178.853 176.600 0.043 0.000 1.051 325 K CA 0.877 57.207 56.287 0.073 0.000 0.952 325 K CB -0.084 32.445 32.500 0.048 0.000 0.736 325 K HN 0.171 nan 8.250 nan 0.000 0.453 326 R N 0.519 121.033 120.500 0.025 0.000 2.148 326 R HA -0.027 4.313 4.340 0.000 0.000 0.223 326 R C 1.803 178.112 176.300 0.014 0.000 1.088 326 R CA 1.162 57.265 56.100 0.004 0.000 0.985 326 R CB 0.096 30.381 30.300 -0.026 0.000 0.880 326 R HN 0.149 nan 8.270 nan 0.000 0.451 327 A N -0.232 122.609 122.820 0.035 0.000 2.035 327 A HA 0.208 4.528 4.320 0.000 0.000 0.208 327 A C 1.624 179.238 177.584 0.049 0.000 1.206 327 A CA 0.035 52.095 52.037 0.038 0.000 0.773 327 A CB 0.322 19.351 19.000 0.047 0.000 0.878 327 A HN 0.269 nan 8.150 nan 0.000 0.469 328 L N -0.842 120.425 121.223 0.074 0.000 2.640 328 L HA 0.309 4.649 4.340 0.000 0.000 0.230 328 L C 1.575 178.494 176.870 0.081 0.000 1.123 328 L CA 0.244 55.135 54.840 0.084 0.000 0.900 328 L CB -0.503 41.620 42.059 0.108 0.000 1.146 328 L HN 0.551 nan 8.230 nan 0.000 0.484 329 G N 1.565 110.398 108.800 0.056 0.000 2.582 329 G HA2 -0.448 3.512 3.960 0.000 0.000 0.288 329 G HA3 -0.448 3.512 3.960 0.000 0.000 0.288 329 G C 0.704 175.632 174.900 0.046 0.000 1.247 329 G CA 0.784 45.909 45.100 0.043 0.000 0.972 329 G HN 0.322 nan 8.290 nan 0.000 0.557 330 E N -0.658 119.568 120.200 0.043 0.000 2.265 330 E HA -0.105 4.245 4.350 0.000 0.000 0.196 330 E C 2.035 178.660 176.600 0.041 0.000 0.996 330 E CA 2.040 58.459 56.400 0.031 0.000 0.832 330 E CB -0.392 29.324 29.700 0.026 0.000 0.756 330 E HN 0.709 nan 8.360 nan 0.000 0.491 331 H N -0.880 118.172 119.070 -0.029 0.000 2.545 331 H HA 0.120 4.676 4.556 0.000 0.000 0.282 331 H C 1.562 176.854 175.328 -0.060 0.000 1.020 331 H CA 1.223 57.247 56.048 -0.041 0.000 1.243 331 H CB -0.053 29.688 29.762 -0.035 0.000 1.377 331 H HN 0.230 nan 8.280 nan 0.000 0.581 332 A N 0.170 122.958 122.820 -0.053 0.000 2.066 332 A HA -0.053 4.267 4.320 0.000 0.000 0.218 332 A C 2.191 179.668 177.584 -0.177 0.000 1.157 332 A CA 1.031 53.000 52.037 -0.112 0.000 0.670 332 A CB -0.097 18.903 19.000 -0.000 0.000 0.804 332 A HN 0.438 nan 8.150 nan 0.000 0.453 333 R N -1.606 118.804 120.500 -0.150 0.000 2.312 333 R HA 0.180 4.520 4.340 0.000 0.000 0.205 333 R C 1.734 177.921 176.300 -0.189 0.000 0.904 333 R CA 0.445 56.449 56.100 -0.161 0.000 1.052 333 R CB 0.101 30.340 30.300 -0.100 0.000 1.014 333 R HN 0.388 nan 8.270 nan 0.000 0.503 334 R N 0.487 120.843 120.500 -0.240 0.000 2.432 334 R HA 0.138 4.478 4.340 0.000 0.000 0.260 334 R C -0.714 175.373 176.300 -0.354 0.000 0.935 334 R CA 0.278 56.227 56.100 -0.251 0.000 1.080 334 R CB 0.832 31.016 30.300 -0.193 0.000 1.155 334 R HN -0.090 nan 8.270 nan 0.000 0.531 335 T N 1.956 116.277 114.554 -0.389 0.000 2.824 335 T HA 0.382 4.732 4.350 0.000 0.000 0.282 335 T C -2.754 171.810 174.700 -0.226 0.000 0.993 335 T CA -1.650 60.246 62.100 -0.339 0.000 0.967 335 T CB 2.118 70.735 68.868 -0.418 0.000 0.960 335 T HN -0.084 nan 8.240 nan 0.000 0.441 336 P HA 0.314 nan 4.420 nan 0.000 0.271 336 P C -0.989 176.341 177.300 0.049 0.000 1.233 336 P CA -0.238 62.849 63.100 -0.021 0.000 0.764 336 P CB 0.437 32.173 31.700 0.060 0.000 0.825 337 V N 3.109 122.995 119.914 -0.046 0.000 2.769 337 V HA 0.784 4.904 4.120 0.000 0.000 0.312 337 V C 0.009 176.199 176.094 0.161 0.000 1.061 337 V CA -0.376 61.903 62.300 -0.034 0.000 0.931 337 V CB 2.092 33.787 31.823 -0.214 0.000 1.010 337 V HN 0.734 nan 8.190 nan 0.000 0.433 338 S N 1.381 117.243 115.700 0.270 0.000 2.565 338 S HA 0.599 5.069 4.470 0.000 0.000 0.274 338 S C -1.010 173.793 174.600 0.339 0.000 1.144 338 S CA -0.563 57.830 58.200 0.321 0.000 0.849 338 S CB 1.745 65.121 63.200 0.293 0.000 1.103 338 S HN 0.993 nan 8.310 nan 0.000 0.455 339 S N 1.162 117.055 115.700 0.322 0.000 2.498 339 S HA 0.486 4.956 4.470 0.000 0.000 0.317 339 S C 1.000 175.682 174.600 0.137 0.000 1.090 339 S CA -0.824 57.509 58.200 0.223 0.000 1.089 339 S CB 0.151 63.456 63.200 0.174 0.000 0.997 339 S HN 1.068 nan 8.310 nan 0.000 0.470 340 I N 2.789 123.433 120.570 0.124 0.000 3.111 340 I HA 0.117 4.287 4.170 0.000 0.000 0.272 340 I C 1.685 177.845 176.117 0.071 0.000 1.268 340 I CA 0.524 61.884 61.300 0.101 0.000 1.467 340 I CB -0.194 37.895 38.000 0.148 0.000 1.087 340 I HN 0.503 nan 8.210 nan 0.000 0.467 341 K N 1.930 122.342 120.400 0.021 0.000 2.280 341 K HA -0.106 4.214 4.320 0.000 0.000 0.202 341 K C 2.304 178.908 176.600 0.006 0.000 1.047 341 K CA 1.577 57.854 56.287 -0.016 0.000 0.942 341 K CB -0.236 32.176 32.500 -0.145 0.000 0.739 341 K HN 0.618 nan 8.250 nan 0.000 0.457 342 S N 0.407 116.116 115.700 0.015 0.000 2.442 342 S HA -0.128 4.342 4.470 0.000 0.000 0.236 342 S C 1.853 176.474 174.600 0.034 0.000 1.007 342 S CA 1.079 59.294 58.200 0.025 0.000 0.965 342 S CB -0.118 63.109 63.200 0.045 0.000 0.773 342 S HN 0.235 nan 8.310 nan 0.000 0.504 343 M N 0.674 120.297 119.600 0.038 0.000 2.858 343 M HA 0.208 4.688 4.480 0.000 0.000 0.255 343 M C 1.733 178.067 176.300 0.057 0.000 1.336 343 M CA 0.675 55.998 55.300 0.038 0.000 1.220 343 M CB 0.394 33.007 32.600 0.022 0.000 1.252 343 M HN 0.316 nan 8.290 nan 0.000 0.538 344 V N -1.879 118.088 119.914 0.090 0.000 3.542 344 V HA 0.566 4.686 4.120 0.000 0.000 0.296 344 V C 0.745 176.894 176.094 0.093 0.000 1.364 344 V CA 0.083 62.454 62.300 0.118 0.000 1.118 344 V CB -1.288 30.660 31.823 0.209 0.000 0.972 344 V HN 0.588 nan 8.190 nan 0.000 0.430 345 G N 1.041 109.882 108.800 0.069 0.000 2.750 345 G HA2 -0.279 3.681 3.960 0.000 0.000 0.228 345 G HA3 -0.279 3.681 3.960 0.000 0.000 0.228 345 G C -0.421 174.536 174.900 0.095 0.000 1.367 345 G CA 0.366 45.514 45.100 0.079 0.000 0.871 345 G HN 1.147 nan 8.290 nan 0.000 0.560 346 H N 0.835 119.886 119.070 -0.031 0.000 2.700 346 H HA 0.579 5.135 4.556 0.000 0.000 0.269 346 H C 1.527 176.777 175.328 -0.131 0.000 1.222 346 H CA -0.106 55.837 56.048 -0.175 0.000 1.254 346 H CB 0.123 29.613 29.762 -0.454 0.000 1.413 346 H HN 0.750 nan 8.280 nan 0.000 0.507 347 S N 4.904 120.674 115.700 0.116 0.000 2.840 347 S HA 0.120 4.590 4.470 0.000 0.000 0.235 347 S C 1.363 175.928 174.600 -0.057 0.000 0.968 347 S CA 0.014 58.223 58.200 0.014 0.000 1.026 347 S CB -0.706 62.522 63.200 0.047 0.000 0.788 347 S HN 0.713 nan 8.310 nan 0.000 0.487 348 L N -0.357 120.730 121.223 -0.228 0.000 4.438 348 L HA -0.357 3.983 4.340 0.000 0.000 0.053 348 L C 2.247 179.100 176.870 -0.030 0.000 3.682 348 L CA 1.591 56.259 54.840 -0.287 0.000 1.233 348 L CB -2.108 39.797 42.059 -0.257 0.000 3.182 348 L HN 0.465 nan 8.230 nan 0.000 0.885 349 G N -1.413 107.362 108.800 -0.041 0.000 2.448 349 G HA2 0.169 4.129 3.960 0.000 0.000 0.218 349 G HA3 0.169 4.129 3.960 0.000 0.000 0.218 349 G C 1.405 176.314 174.900 0.015 0.000 1.135 349 G CA 1.244 46.336 45.100 -0.013 0.000 0.784 349 G HN 0.806 nan 8.290 nan 0.000 0.543 350 A N 0.478 123.306 122.820 0.013 0.000 2.021 350 A HA 0.209 4.529 4.320 0.000 0.000 0.216 350 A C 2.199 179.825 177.584 0.070 0.000 1.163 350 A CA 0.905 52.962 52.037 0.033 0.000 0.676 350 A CB -0.229 18.780 19.000 0.016 0.000 0.818 350 A HN 0.304 nan 8.150 nan 0.000 0.453 351 I N 0.726 121.350 120.570 0.089 0.000 2.194 351 I HA -0.218 3.952 4.170 0.000 0.000 0.246 351 I C 2.329 178.523 176.117 0.128 0.000 1.093 351 I CA 1.669 63.036 61.300 0.113 0.000 1.355 351 I CB -0.691 37.381 38.000 0.119 0.000 1.046 351 I HN 0.247 nan 8.210 nan 0.000 0.413 352 G N -1.169 107.709 108.800 0.130 0.000 2.469 352 G HA2 -0.268 3.692 3.960 0.000 0.000 0.220 352 G HA3 -0.268 3.692 3.960 0.000 0.000 0.220 352 G C 1.728 176.728 174.900 0.166 0.000 1.136 352 G CA 1.071 46.256 45.100 0.142 0.000 0.759 352 G HN 0.477 nan 8.290 nan 0.000 0.562 353 S N 0.049 115.856 115.700 0.179 0.000 2.387 353 S HA 0.066 4.536 4.470 0.000 0.000 0.226 353 S C 2.231 177.022 174.600 0.318 0.000 1.026 353 S CA 0.231 58.607 58.200 0.294 0.000 0.972 353 S CB -0.090 63.262 63.200 0.253 0.000 0.814 353 S HN 0.138 nan 8.310 nan 0.000 0.477 354 L N 2.022 123.358 121.223 0.189 0.000 2.083 354 L HA -0.050 4.290 4.340 0.000 0.000 0.209 354 L C 2.280 179.369 176.870 0.365 0.000 1.083 354 L CA 1.696 56.645 54.840 0.180 0.000 0.752 354 L CB -1.483 40.648 42.059 0.121 0.000 0.899 354 L HN 0.410 nan 8.230 nan 0.000 0.433 355 E N -0.209 120.169 120.200 0.297 0.000 2.110 355 E HA -0.208 4.142 4.350 0.000 0.000 0.193 355 E C 2.325 179.088 176.600 0.271 0.000 0.988 355 E CA 0.947 57.517 56.400 0.283 0.000 0.804 355 E CB -0.053 29.767 29.700 0.200 0.000 0.745 355 E HN 0.448 nan 8.360 nan 0.000 0.458 356 I N 1.148 121.862 120.570 0.240 0.000 2.226 356 I HA -0.268 3.902 4.170 0.000 0.000 0.245 356 I C 2.559 178.818 176.117 0.236 0.000 1.100 356 I CA 0.921 62.293 61.300 0.120 0.000 1.374 356 I CB -0.284 37.649 38.000 -0.111 0.000 1.057 356 I HN 0.081 nan 8.210 nan 0.000 0.413 357 A N 0.690 123.827 122.820 0.528 0.000 1.933 357 A HA -0.187 4.133 4.320 0.000 0.000 0.218 357 A C 2.527 180.348 177.584 0.394 0.000 1.175 357 A CA 1.901 54.262 52.037 0.541 0.000 0.628 357 A CB -0.792 18.467 19.000 0.431 0.000 0.814 357 A HN 0.443 nan 8.150 nan 0.000 0.444 358 A N -0.938 122.158 122.820 0.459 0.000 1.877 358 A HA -0.163 4.157 4.320 0.000 0.000 0.216 358 A C 2.312 180.042 177.584 0.243 0.000 1.186 358 A CA 1.659 53.924 52.037 0.380 0.000 0.620 358 A CB -1.297 17.951 19.000 0.413 0.000 0.822 358 A HN 0.607 nan 8.150 nan 0.000 0.443 359 C N -1.171 118.276 119.300 0.245 0.000 2.429 359 C HA -0.063 4.397 4.460 0.000 0.000 0.277 359 C C 2.735 177.773 174.990 0.080 0.000 1.262 359 C CA 1.022 60.163 59.018 0.206 0.000 1.733 359 C CB -1.290 26.541 27.740 0.153 0.000 2.010 359 C HN 0.457 nan 8.230 nan 0.000 0.483 360 V N 0.928 120.864 119.914 0.037 0.000 2.343 360 V HA -0.221 3.899 4.120 0.000 0.000 0.247 360 V C 2.320 178.334 176.094 -0.134 0.000 1.051 360 V CA 1.894 64.182 62.300 -0.021 0.000 1.036 360 V CB -0.595 31.236 31.823 0.014 0.000 0.654 360 V HN 0.553 nan 8.190 nan 0.000 0.451 361 L N -0.058 121.001 121.223 -0.273 0.000 2.093 361 L HA -0.114 4.226 4.340 0.000 0.000 0.208 361 L C 2.680 179.100 176.870 -0.749 0.000 1.085 361 L CA 1.378 55.804 54.840 -0.691 0.000 0.755 361 L CB -0.731 40.597 42.059 -1.219 0.000 0.904 361 L HN 0.347 nan 8.230 nan 0.000 0.435 362 A N 0.130 122.708 122.820 -0.405 0.000 1.898 362 A HA -0.151 4.169 4.320 0.000 0.000 0.216 362 A C 2.249 179.846 177.584 0.021 0.000 1.181 362 A CA 1.341 53.391 52.037 0.022 0.000 0.620 362 A CB -0.656 18.458 19.000 0.190 0.000 0.819 362 A HN 0.335 nan 8.150 nan 0.000 0.442 363 L N -0.762 120.455 121.223 -0.011 0.000 2.046 363 L HA -0.214 4.126 4.340 0.000 0.000 0.208 363 L C 2.695 179.531 176.870 -0.056 0.000 1.077 363 L CA 1.903 56.740 54.840 -0.005 0.000 0.747 363 L CB -0.435 41.622 42.059 -0.003 0.000 0.896 363 L HN 0.629 nan 8.230 nan 0.000 0.432 364 E N -0.144 119.967 120.200 -0.149 0.000 2.028 364 E HA -0.233 4.117 4.350 0.000 0.000 0.191 364 E C 1.842 178.264 176.600 -0.298 0.000 0.988 364 E CA 1.557 57.800 56.400 -0.262 0.000 0.799 364 E CB 0.005 29.448 29.700 -0.428 0.000 0.755 364 E HN 0.606 nan 8.360 nan 0.000 0.447 365 H N -1.428 117.604 119.070 -0.064 0.000 2.553 365 H HA 0.262 4.818 4.556 0.000 0.000 0.265 365 H C 0.843 176.234 175.328 0.105 0.000 0.964 365 H CA 0.481 56.564 56.048 0.058 0.000 1.156 365 H CB 0.989 30.865 29.762 0.191 0.000 1.411 365 H HN 0.384 nan 8.280 nan 0.000 0.558 366 G N 0.942 109.840 108.800 0.163 0.000 2.272 366 G HA2 -0.244 3.716 3.960 0.000 0.000 0.280 366 G HA3 -0.244 3.716 3.960 0.000 0.000 0.280 366 G C -0.449 174.537 174.900 0.144 0.000 1.067 366 G CA 0.446 45.618 45.100 0.121 0.000 0.902 366 G HN 0.263 nan 8.290 nan 0.000 0.500 367 V N -0.439 119.617 119.914 0.237 0.000 2.588 367 V HA 0.592 4.712 4.120 0.000 0.000 0.304 367 V C 0.332 176.461 176.094 0.059 0.000 1.042 367 V CA -1.008 61.386 62.300 0.158 0.000 0.877 367 V CB 2.249 34.191 31.823 0.200 0.000 0.996 367 V HN 0.242 nan 8.190 nan 0.000 0.425 368 V N 6.811 126.644 119.914 -0.136 0.000 2.348 368 V HA 0.320 4.440 4.120 0.000 0.000 0.270 368 V C -2.266 173.638 176.094 -0.317 0.000 1.037 368 V CA -1.848 60.236 62.300 -0.360 0.000 0.872 368 V CB 1.536 33.137 31.823 -0.370 0.000 1.002 368 V HN 0.746 nan 8.190 nan 0.000 0.464 369 P HA 0.188 nan 4.420 nan 0.000 0.268 369 P C -2.507 174.714 177.300 -0.132 0.000 1.205 369 P CA -0.820 62.126 63.100 -0.256 0.000 0.771 369 P CB 0.267 31.866 31.700 -0.167 0.000 0.858 370 P HA 0.170 nan 4.420 nan 0.000 0.283 370 P C -0.846 176.473 177.300 0.032 0.000 1.278 370 P CA -0.360 62.723 63.100 -0.028 0.000 0.834 370 P CB 0.816 32.485 31.700 -0.051 0.000 1.150 371 T N 0.938 115.543 114.554 0.085 0.000 2.747 371 T HA 0.454 4.804 4.350 0.000 0.000 0.301 371 T C 0.517 175.264 174.700 0.079 0.000 0.952 371 T CA -0.064 62.111 62.100 0.124 0.000 0.983 371 T CB -0.056 68.943 68.868 0.218 0.000 0.930 371 T HN 0.469 nan 8.240 nan 0.000 0.494 372 A N 3.660 126.512 122.820 0.053 0.000 2.366 372 A HA 0.415 4.735 4.320 0.000 0.000 0.250 372 A C 1.177 178.793 177.584 0.054 0.000 1.099 372 A CA -0.508 51.555 52.037 0.042 0.000 0.794 372 A CB -0.063 18.961 19.000 0.039 0.000 1.056 372 A HN 0.904 nan 8.150 nan 0.000 0.499 373 N N -2.481 116.247 118.700 0.046 0.000 2.765 373 N HA -0.174 4.566 4.740 0.000 0.000 0.248 373 N C -0.261 175.266 175.510 0.029 0.000 1.063 373 N CA 1.238 54.309 53.050 0.035 0.000 0.862 373 N CB -1.338 37.193 38.487 0.074 0.000 1.145 373 N HN 0.596 nan 8.380 nan 0.000 0.581 374 L N 2.203 123.453 121.223 0.045 0.000 2.385 374 L HA 0.149 4.489 4.340 0.000 0.000 0.285 374 L C 1.360 178.255 176.870 0.041 0.000 1.125 374 L CA 0.442 55.319 54.840 0.062 0.000 0.890 374 L CB 0.267 42.391 42.059 0.107 0.000 1.251 374 L HN -0.005 nan 8.230 nan 0.000 0.445 375 R N 1.458 121.973 120.500 0.025 0.000 2.257 375 R HA 0.225 4.565 4.340 0.000 0.000 0.195 375 R C 0.230 176.542 176.300 0.021 0.000 0.921 375 R CA 0.721 56.828 56.100 0.011 0.000 1.069 375 R CB 0.027 30.319 30.300 -0.014 0.000 1.115 375 R HN 0.633 nan 8.270 nan 0.000 0.571 376 T N 0.311 114.882 114.554 0.028 0.000 2.786 376 T HA 0.394 4.744 4.350 0.000 0.000 0.283 376 T C 0.235 174.966 174.700 0.052 0.000 0.992 376 T CA -0.663 61.457 62.100 0.032 0.000 0.954 376 T CB 1.905 70.787 68.868 0.023 0.000 0.934 376 T HN 0.113 nan 8.240 nan 0.000 0.440 377 S N 2.472 118.208 115.700 0.060 0.000 2.593 377 S HA 0.410 4.880 4.470 0.000 0.000 0.269 377 S C -0.401 174.247 174.600 0.080 0.000 1.334 377 S CA -0.701 57.552 58.200 0.087 0.000 1.015 377 S CB 0.795 64.046 63.200 0.085 0.000 0.912 377 S HN 0.905 nan 8.310 nan 0.000 0.541 378 D N 0.345 120.808 120.400 0.105 0.000 2.502 378 D HA 0.487 5.128 4.640 0.000 0.000 0.249 378 D C -2.083 174.278 176.300 0.101 0.000 1.092 378 D CA -2.365 51.689 54.000 0.090 0.000 0.839 378 D CB 1.811 42.664 40.800 0.087 0.000 1.264 378 D HN 0.153 nan 8.370 nan 0.000 0.511 379 P HA -0.157 nan 4.420 nan 0.000 0.217 379 P C 0.509 177.856 177.300 0.078 0.000 1.148 379 P CA 1.239 64.379 63.100 0.066 0.000 0.834 379 P CB 0.304 32.033 31.700 0.047 0.000 0.783 380 E N -1.790 118.463 120.200 0.088 0.000 2.122 380 E HA -0.034 4.316 4.350 0.000 0.000 0.190 380 E C 0.168 176.858 176.600 0.149 0.000 0.977 380 E CA 0.569 57.028 56.400 0.098 0.000 0.820 380 E CB -0.133 29.618 29.700 0.085 0.000 0.770 380 E HN 0.204 nan 8.360 nan 0.000 0.462 381 C N 3.471 122.891 119.300 0.200 0.000 2.138 381 C HA 0.153 4.613 4.460 0.000 0.000 0.398 381 C C 0.406 175.619 174.990 0.372 0.000 1.029 381 C CA -1.016 58.208 59.018 0.343 0.000 1.426 381 C CB -1.075 26.861 27.740 0.327 0.000 1.652 381 C HN 0.328 nan 8.230 nan 0.000 0.486 382 D N 1.273 121.805 120.400 0.221 0.000 2.587 382 D HA 0.163 4.803 4.640 0.000 0.000 0.233 382 D C 0.304 176.568 176.300 -0.060 0.000 1.213 382 D CA 0.005 54.061 54.000 0.094 0.000 0.827 382 D CB 0.222 41.054 40.800 0.053 0.000 1.006 382 D HN 0.462 nan 8.370 nan 0.000 0.490 383 L N -0.648 120.416 121.223 -0.265 0.000 2.421 383 L HA 0.390 4.730 4.340 0.000 0.000 0.267 383 L C 0.050 176.373 176.870 -0.911 0.000 1.036 383 L CA -1.169 53.308 54.840 -0.604 0.000 0.829 383 L CB 0.848 42.502 42.059 -0.676 0.000 1.437 383 L HN -0.184 nan 8.230 nan 0.000 0.488 384 D N -0.862 119.092 120.400 -0.743 0.000 2.428 384 D HA 0.169 4.809 4.640 0.000 0.000 0.221 384 D C -0.452 175.496 176.300 -0.588 0.000 1.123 384 D CA -0.102 53.577 54.000 -0.534 0.000 0.869 384 D CB 0.360 40.985 40.800 -0.292 0.000 1.032 384 D HN 0.216 nan 8.370 nan 0.000 0.506 385 Y N 2.500 122.697 120.300 -0.171 0.000 2.583 385 Y HA 0.190 4.740 4.550 0.000 0.000 0.294 385 Y C 0.975 176.839 175.900 -0.059 0.000 1.170 385 Y CA -0.674 57.313 58.100 -0.189 0.000 1.265 385 Y CB -0.171 38.112 38.460 -0.296 0.000 1.119 385 Y HN 0.147 nan 8.280 nan 0.000 0.522 386 V N 1.194 121.124 119.914 0.026 0.000 5.726 386 V HA -0.232 3.888 4.120 0.000 0.000 0.260 386 V C -2.313 173.808 176.094 0.045 0.000 0.657 386 V CA -0.483 61.829 62.300 0.019 0.000 0.584 386 V CB -1.580 30.249 31.823 0.010 0.000 0.241 386 V HN 0.298 nan 8.190 nan 0.000 0.652 387 P HA 0.316 nan 4.420 nan 0.000 0.267 387 P C 1.229 178.541 177.300 0.019 0.000 1.205 387 P CA 0.433 63.568 63.100 0.059 0.000 0.765 387 P CB 1.518 33.258 31.700 0.066 0.000 0.828 388 L N -1.302 119.931 121.223 0.015 0.000 3.832 388 L HA -0.299 4.041 4.340 0.000 0.000 0.359 388 L C 0.752 177.603 176.870 -0.032 0.000 2.750 388 L CA 1.700 56.534 54.840 -0.009 0.000 2.342 388 L CB -1.736 40.315 42.059 -0.013 0.000 2.206 388 L HN 0.394 nan 8.230 nan 0.000 0.725 389 E N 0.560 120.738 120.200 -0.038 0.000 2.183 389 E HA 0.692 5.042 4.350 0.000 0.000 0.271 389 E C -0.019 176.535 176.600 -0.077 0.000 0.919 389 E CA 0.303 56.668 56.400 -0.059 0.000 0.781 389 E CB 1.683 31.354 29.700 -0.050 0.000 1.140 389 E HN 0.297 nan 8.360 nan 0.000 0.402 390 A N 4.116 126.870 122.820 -0.111 0.000 2.327 390 A HA 0.558 4.878 4.320 0.000 0.000 0.255 390 A C -0.252 177.266 177.584 -0.109 0.000 1.099 390 A CA -0.034 51.918 52.037 -0.142 0.000 0.801 390 A CB 0.455 19.330 19.000 -0.208 0.000 1.062 390 A HN 0.677 nan 8.150 nan 0.000 0.496 391 R N -0.186 120.247 120.500 -0.112 0.000 2.795 391 R HA 0.400 4.740 4.340 0.000 0.000 0.275 391 R C -0.887 175.377 176.300 -0.061 0.000 0.981 391 R CA -0.714 55.339 56.100 -0.079 0.000 0.917 391 R CB 2.018 32.274 30.300 -0.073 0.000 1.202 391 R HN 0.863 nan 8.270 nan 0.000 0.469 392 E N 3.173 123.352 120.200 -0.035 0.000 2.200 392 E HA 0.272 4.622 4.350 0.000 0.000 0.283 392 E C -0.932 175.664 176.600 -0.007 0.000 1.015 392 E CA -0.298 56.097 56.400 -0.009 0.000 0.819 392 E CB 1.144 30.843 29.700 -0.002 0.000 1.081 392 E HN 0.425 nan 8.360 nan 0.000 0.397 393 R N 3.616 124.120 120.500 0.007 0.000 2.664 393 R HA 0.180 4.520 4.340 0.000 0.000 0.260 393 R C -1.590 174.724 176.300 0.025 0.000 1.062 393 R CA -0.825 55.281 56.100 0.009 0.000 0.902 393 R CB 1.089 31.387 30.300 -0.004 0.000 1.258 393 R HN 0.290 nan 8.270 nan 0.000 0.465 394 K N 3.025 123.440 120.400 0.025 0.000 2.316 394 K HA 0.312 4.632 4.320 0.000 0.000 0.289 394 K C -0.691 175.931 176.600 0.036 0.000 1.070 394 K CA -0.225 56.080 56.287 0.029 0.000 0.928 394 K CB 0.568 33.081 32.500 0.022 0.000 1.039 394 K HN 0.265 nan 8.250 nan 0.000 0.480 395 L N 4.920 126.169 121.223 0.044 0.000 2.272 395 L HA 0.406 4.746 4.340 0.000 0.000 0.289 395 L C 1.188 178.083 176.870 0.043 0.000 1.032 395 L CA 0.056 54.931 54.840 0.059 0.000 0.810 395 L CB 1.210 43.322 42.059 0.088 0.000 1.205 395 L HN 0.671 nan 8.230 nan 0.000 0.422 396 R N 1.122 121.646 120.500 0.040 0.000 2.064 396 R HA 0.197 4.537 4.340 0.000 0.000 0.221 396 R C 0.002 176.313 176.300 0.018 0.000 1.136 396 R CA 0.470 56.582 56.100 0.021 0.000 0.980 396 R CB 0.287 30.596 30.300 0.015 0.000 0.876 396 R HN 0.561 nan 8.270 nan 0.000 0.437 397 S N 0.161 115.880 115.700 0.031 0.000 2.540 397 S HA 0.454 4.924 4.470 0.000 0.000 0.275 397 S C -0.950 173.677 174.600 0.046 0.000 1.123 397 S CA -0.913 57.301 58.200 0.024 0.000 0.907 397 S CB 2.519 65.721 63.200 0.005 0.000 1.081 397 S HN 0.141 nan 8.310 nan 0.000 0.476 398 V N 0.725 120.663 119.914 0.039 0.000 2.960 398 V HA 0.922 5.042 4.120 0.000 0.000 0.315 398 V C -1.232 174.847 176.094 -0.024 0.000 1.087 398 V CA -0.983 61.335 62.300 0.029 0.000 0.982 398 V CB 1.690 33.575 31.823 0.104 0.000 1.039 398 V HN 0.748 nan 8.190 nan 0.000 0.437 399 L N 2.403 123.571 121.223 -0.093 0.000 2.362 399 L HA 0.865 5.205 4.340 0.000 0.000 0.275 399 L C -0.251 176.564 176.870 -0.092 0.000 0.998 399 L CA 0.238 55.036 54.840 -0.069 0.000 0.820 399 L CB 1.908 43.932 42.059 -0.058 0.000 1.270 399 L HN 1.107 nan 8.230 nan 0.000 0.415 400 T N 4.674 119.223 114.554 -0.009 0.000 2.841 400 T HA 0.775 5.125 4.350 0.000 0.000 0.283 400 T C -1.084 173.672 174.700 0.094 0.000 1.000 400 T CA -0.149 61.968 62.100 0.029 0.000 0.977 400 T CB 1.099 69.998 68.868 0.052 0.000 0.979 400 T HN 0.783 nan 8.240 nan 0.000 0.446 401 V N 1.580 121.582 119.914 0.147 0.000 3.001 401 V HA 1.093 5.213 4.120 0.000 0.000 0.314 401 V C -0.068 176.139 176.094 0.189 0.000 1.099 401 V CA -0.617 61.781 62.300 0.164 0.000 0.989 401 V CB 1.660 33.604 31.823 0.201 0.000 1.040 401 V HN 1.143 nan 8.190 nan 0.000 0.434 402 G N 0.548 109.421 108.800 0.122 0.000 2.696 402 G HA2 0.677 4.637 3.960 0.000 0.000 0.295 402 G HA3 0.677 4.637 3.960 0.000 0.000 0.295 402 G C -1.290 173.501 174.900 -0.182 0.000 1.398 402 G CA -0.633 44.504 45.100 0.062 0.000 0.920 402 G HN 1.008 nan 8.290 nan 0.000 0.492 403 S N -1.136 114.165 115.700 -0.664 0.000 2.571 403 S HA 0.869 5.339 4.470 0.000 0.000 0.284 403 S C -0.007 174.410 174.600 -0.305 0.000 1.128 403 S CA -0.344 57.601 58.200 -0.424 0.000 0.970 403 S CB 1.920 64.854 63.200 -0.443 0.000 1.039 403 S HN 1.276 nan 8.310 nan 0.000 0.485 404 G N 1.197 110.006 108.800 0.014 0.000 2.660 404 G HA2 0.663 4.623 3.960 0.000 0.000 0.294 404 G HA3 0.663 4.623 3.960 0.000 0.000 0.294 404 G C -1.145 173.967 174.900 0.354 0.000 1.369 404 G CA -0.670 44.506 45.100 0.127 0.000 0.912 404 G HN 0.416 nan 8.290 nan 0.000 0.479 405 F N 0.596 120.652 119.950 0.177 0.000 2.629 405 F HA 0.359 4.886 4.527 0.000 0.000 0.369 405 F C 1.698 177.614 175.800 0.194 0.000 1.125 405 F CA 1.268 59.364 58.000 0.161 0.000 1.330 405 F CB 0.885 39.978 39.000 0.156 0.000 1.071 405 F HN 1.121 nan 8.300 nan 0.000 0.595 406 G N 0.845 109.767 108.800 0.203 0.000 2.218 406 G HA2 0.067 4.027 3.960 0.000 0.000 0.216 406 G HA3 0.067 4.027 3.960 0.000 0.000 0.216 406 G C 0.947 175.686 174.900 -0.268 0.000 0.994 406 G CA 0.312 45.388 45.100 -0.041 0.000 0.637 406 G HN 1.862 nan 8.290 nan 0.000 0.505 407 G N -1.078 107.670 108.800 -0.087 0.000 2.176 407 G HA2 -0.110 3.850 3.960 0.000 0.000 0.232 407 G HA3 -0.110 3.850 3.960 0.000 0.000 0.232 407 G C 0.377 175.215 174.900 -0.104 0.000 0.986 407 G CA 0.271 45.311 45.100 -0.101 0.000 0.643 407 G HN 1.234 nan 8.290 nan 0.000 0.522 408 F N 1.645 121.626 119.950 0.053 0.000 2.607 408 F HA 0.463 4.990 4.527 -0.000 0.000 0.374 408 F C 0.902 176.708 175.800 0.009 0.000 1.104 408 F CA 0.465 58.485 58.000 0.034 0.000 1.296 408 F CB 0.709 39.734 39.000 0.042 0.000 1.085 408 F HN -0.002 nan 8.300 nan 0.000 0.584 409 Q N 2.767 122.683 119.800 0.193 0.000 2.290 409 Q HA 0.449 4.789 4.340 0.000 0.000 0.269 409 Q C -0.991 175.054 176.000 0.075 0.000 1.016 409 Q CA -0.599 55.264 55.803 0.100 0.000 0.754 409 Q CB 2.143 30.926 28.738 0.076 0.000 1.247 409 Q HN 0.588 nan 8.270 nan 0.000 0.451 410 S N 0.713 116.449 115.700 0.060 0.000 2.566 410 S HA 0.970 5.440 4.470 0.000 0.000 0.298 410 S C -1.020 173.600 174.600 0.033 0.000 1.083 410 S CA -0.693 57.525 58.200 0.030 0.000 0.978 410 S CB 1.995 65.261 63.200 0.111 0.000 1.073 410 S HN 0.646 nan 8.310 nan 0.000 0.491 411 A N 1.979 124.788 122.820 -0.019 0.000 2.488 411 A HA 0.820 5.140 4.320 0.000 0.000 0.298 411 A C -1.145 176.469 177.584 0.050 0.000 1.044 411 A CA -0.559 51.494 52.037 0.027 0.000 0.693 411 A CB 1.469 20.474 19.000 0.009 0.000 1.272 411 A HN 0.818 nan 8.150 nan 0.000 0.402 412 M N 2.666 122.323 119.600 0.095 0.000 2.386 412 M HA 0.651 5.131 4.480 0.000 0.000 0.293 412 M C -2.006 174.325 176.300 0.052 0.000 1.120 412 M CA -0.552 54.818 55.300 0.117 0.000 0.909 412 M CB 2.062 34.752 32.600 0.150 0.000 1.661 412 M HN 0.441 nan 8.290 nan 0.000 0.452 413 V N 5.906 125.843 119.914 0.037 0.000 2.398 413 V HA 0.549 4.669 4.120 0.000 0.000 0.286 413 V C -0.667 175.423 176.094 -0.007 0.000 1.026 413 V CA -0.544 61.761 62.300 0.009 0.000 0.868 413 V CB 1.567 33.391 31.823 0.003 0.000 0.982 413 V HN 0.784 nan 8.190 nan 0.000 0.443 414 L N 6.172 127.387 121.223 -0.013 0.000 2.362 414 L HA 0.792 5.132 4.340 0.000 0.000 0.271 414 L C -0.101 176.756 176.870 -0.021 0.000 1.002 414 L CA -0.577 54.246 54.840 -0.028 0.000 0.818 414 L CB 1.905 43.947 42.059 -0.030 0.000 1.298 414 L HN 0.705 nan 8.230 nan 0.000 0.420 415 R N 0.933 121.410 120.500 -0.039 0.000 2.771 415 R HA 0.428 4.768 4.340 0.000 0.000 0.274 415 R C -1.642 174.631 176.300 -0.044 0.000 0.987 415 R CA -0.765 55.314 56.100 -0.035 0.000 0.908 415 R CB 2.008 32.280 30.300 -0.047 0.000 1.213 415 R HN 0.644 nan 8.270 nan 0.000 0.468 416 D N 1.944 122.326 120.400 -0.031 0.000 2.363 416 D HA 0.084 4.724 4.640 0.000 0.000 0.240 416 D C 1.111 177.382 176.300 -0.049 0.000 1.236 416 D CA 0.061 54.041 54.000 -0.032 0.000 0.927 416 D CB 0.528 41.315 40.800 -0.021 0.000 1.150 416 D HN 0.604 nan 8.370 nan 0.000 0.458 417 A N 0.325 123.123 122.820 -0.037 0.000 1.883 417 A HA -0.260 4.060 4.320 0.000 0.000 0.217 417 A C 2.002 179.579 177.584 -0.011 0.000 1.186 417 A CA 2.209 54.232 52.037 -0.022 0.000 0.624 417 A CB -0.956 18.055 19.000 0.018 0.000 0.822 417 A HN 0.710 nan 8.150 nan 0.000 0.444 418 E N -0.268 119.928 120.200 -0.007 0.000 2.026 418 E HA -0.186 4.164 4.350 0.000 0.000 0.206 418 E C 2.048 178.642 176.600 -0.010 0.000 1.028 418 E CA 2.412 58.812 56.400 -0.001 0.000 0.845 418 E CB -0.790 28.908 29.700 -0.004 0.000 0.772 418 E HN 0.512 nan 8.360 nan 0.000 0.462 419 T N 0.472 115.013 114.554 -0.022 0.000 2.897 419 T HA -0.147 4.203 4.350 0.000 0.000 0.271 419 T C 1.625 176.295 174.700 -0.051 0.000 1.084 419 T CA 1.114 63.197 62.100 -0.029 0.000 1.123 419 T CB -0.421 68.429 68.868 -0.029 0.000 0.865 419 T HN 0.360 nan 8.240 nan 0.000 0.496 420 A N 1.632 124.404 122.820 -0.080 0.000 1.832 420 A HA 0.198 4.518 4.320 0.000 0.000 0.214 420 A C 2.693 180.217 177.584 -0.101 0.000 1.200 420 A CA 1.598 53.538 52.037 -0.162 0.000 0.610 420 A CB -1.411 17.409 19.000 -0.301 0.000 0.842 420 A HN 0.479 nan 8.150 nan 0.000 0.444 421 G N -0.730 108.072 108.800 0.003 0.000 2.432 421 G HA2 0.036 3.996 3.960 0.000 0.000 0.219 421 G HA3 0.036 3.996 3.960 0.000 0.000 0.219 421 G C 1.586 176.515 174.900 0.048 0.000 1.135 421 G CA 1.396 46.557 45.100 0.103 0.000 0.767 421 G HN 0.843 nan 8.290 nan 0.000 0.550 422 A N 0.399 123.229 122.820 0.016 0.000 2.067 422 A HA 0.631 4.951 4.320 0.000 0.000 0.217 422 A C 1.840 179.423 177.584 -0.002 0.000 1.156 422 A CA 1.226 53.267 52.037 0.008 0.000 0.683 422 A CB -0.359 18.642 19.000 0.001 0.000 0.808 422 A HN 0.732 nan 8.150 nan 0.000 0.455 423 A N 0.000 122.811 122.820 -0.015 0.000 2.254 423 A HA 0.000 4.320 4.320 0.000 0.000 0.244 423 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 423 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 423 A HN 0.000 nan 8.150 nan 0.000 0.486