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 3lsb_1_B DATA FIRST_RESID 1 DATA SEQUENCE MILIRGLTRV ITFDDQEREL EDADILIDGP KIVAVGKDLS DRSVSRTIDG DATA SEQUENCE RGMIALPGLI NSHQHLYEGA MRAIPQLERV TMASWLEGVL TRSAGWWRDG DATA SEQUENCE KFGPDVIREV ARAVLLESLL GGITTVADQH LFFPGATADS YIDATIEAAT DATA SEQUENCE DLGIRFHAAR SSMTLGKSEG GFCDDLFVEP VDRVVQHCLG LIDQYHEPEP DATA SEQUENCE FGMVRIALGP CGVPYDKPEL FEAFAQMAAD YDVRLHTHFY QPLDAGMSDH DATA SEQUENCE LYGMTPWRFL EKHGWASDRV WLAHAVVPPR EEIPEFADAG VAIAHLIAPD DATA SEQUENCE LRMGWGLAPI REYLDAGITV GFGTTGSASN DGGNLLGDLR LAALAHRPAD DATA SEQUENCE PNEPEKWLSA RELLRMATRG SAECLGRPDL GVLEEGRAAD IACWRLDGVD DATA SEQUENCE RVGVHDPAIG LIMTGLSDRA SLVVVNGQVL VENERPVLAD LERIVANTTA DATA SEQUENCE LIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.285 176.300 -0.025 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.025 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 2 I N 2.528 123.080 120.570 -0.029 0.000 2.509 2 I HA 0.623 4.793 4.170 -0.000 0.000 0.293 2 I C -1.329 174.772 176.117 -0.027 0.000 1.020 2 I CA -0.958 60.325 61.300 -0.028 0.000 1.088 2 I CB 2.194 40.174 38.000 -0.033 0.000 1.267 2 I HN 0.509 nan 8.210 nan 0.000 0.430 3 L N 7.589 128.798 121.223 -0.023 0.000 2.349 3 L HA 0.601 4.941 4.340 -0.000 0.000 0.278 3 L C -0.955 175.902 176.870 -0.021 0.000 0.996 3 L CA -0.099 54.729 54.840 -0.021 0.000 0.825 3 L CB 1.309 43.358 42.059 -0.017 0.000 1.243 3 L HN 0.405 nan 8.230 nan 0.000 0.412 4 I N 4.982 125.539 120.570 -0.022 0.000 2.304 4 I HA 0.451 4.621 4.170 -0.000 0.000 0.291 4 I C -0.037 176.071 176.117 -0.016 0.000 1.018 4 I CA -0.479 60.808 61.300 -0.021 0.000 1.260 4 I CB 1.074 39.060 38.000 -0.024 0.000 1.390 4 I HN 0.621 nan 8.210 nan 0.000 0.475 5 R N 4.814 125.305 120.500 -0.015 0.000 2.445 5 R HA 0.573 4.913 4.340 -0.000 0.000 0.308 5 R C 0.548 176.843 176.300 -0.010 0.000 0.961 5 R CA 0.016 56.109 56.100 -0.012 0.000 0.862 5 R CB 1.512 31.805 30.300 -0.011 0.000 1.144 5 R HN 0.858 nan 8.270 nan 0.000 0.447 6 G N 3.949 112.744 108.800 -0.008 0.000 2.225 6 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.264 6 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.264 6 G C -0.169 174.728 174.900 -0.005 0.000 1.060 6 G CA 0.021 45.118 45.100 -0.006 0.000 0.833 6 G HN 0.506 nan 8.290 nan 0.000 0.498 7 L N 0.199 121.420 121.223 -0.004 0.000 2.499 7 L HA 0.159 4.499 4.340 -0.000 0.000 0.273 7 L C 2.202 179.073 176.870 0.001 0.000 1.195 7 L CA 0.530 55.370 54.840 0.000 0.000 0.882 7 L CB 0.436 42.496 42.059 0.001 0.000 1.133 7 L HN 0.267 nan 8.230 nan 0.000 0.483 8 T N 1.206 115.763 114.554 0.006 0.000 2.788 8 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 8 T C 0.734 175.435 174.700 0.001 0.000 1.044 8 T CA 1.317 63.420 62.100 0.004 0.000 1.139 8 T CB -0.143 68.729 68.868 0.008 0.000 0.867 8 T HN 0.352 nan 8.240 nan 0.000 0.454 9 R N 0.106 120.609 120.500 0.006 0.000 2.584 9 R HA 0.545 4.885 4.340 -0.000 0.000 0.276 9 R C -2.310 173.987 176.300 -0.004 0.000 1.046 9 R CA -0.603 55.495 56.100 -0.003 0.000 0.906 9 R CB 1.521 31.821 30.300 -0.002 0.000 1.215 9 R HN -0.074 nan 8.270 nan 0.000 0.449 10 V N 5.834 125.734 119.914 -0.023 0.000 2.443 10 V HA 0.500 4.620 4.120 -0.000 0.000 0.293 10 V C -0.493 175.553 176.094 -0.079 0.000 1.021 10 V CA -0.797 61.484 62.300 -0.030 0.000 0.848 10 V CB 1.826 33.635 31.823 -0.023 0.000 0.998 10 V HN 0.575 nan 8.190 nan 0.000 0.424 11 I N 4.803 125.305 120.570 -0.115 0.000 2.307 11 I HA 0.244 4.414 4.170 -0.000 0.000 0.289 11 I C 1.547 177.491 176.117 -0.288 0.000 1.021 11 I CA -0.013 61.118 61.300 -0.281 0.000 1.224 11 I CB 1.124 38.888 38.000 -0.393 0.000 1.376 11 I HN 0.792 nan 8.210 nan 0.000 0.470 12 T N 1.790 116.196 114.554 -0.246 0.000 3.035 12 T HA -0.003 4.346 4.350 -0.000 0.000 0.259 12 T C 0.914 175.624 174.700 0.018 0.000 1.078 12 T CA 0.237 62.285 62.100 -0.086 0.000 1.132 12 T CB -0.260 68.586 68.868 -0.036 0.000 0.900 12 T HN 0.372 nan 8.240 nan 0.000 0.480 13 F N 2.620 122.582 119.950 0.019 0.000 3.100 13 F HA -0.157 4.370 4.527 -0.000 0.000 0.283 13 F C 0.463 176.273 175.800 0.016 0.000 0.900 13 F CA 0.167 58.178 58.000 0.017 0.000 1.010 13 F CB -2.624 36.387 39.000 0.018 0.000 1.029 13 F HN 0.551 nan 8.300 nan 0.000 0.637 14 D N -0.549 119.925 120.400 0.124 0.000 2.414 14 D HA 0.143 4.782 4.640 -0.000 0.000 0.259 14 D C 1.034 177.382 176.300 0.081 0.000 1.269 14 D CA 0.143 54.196 54.000 0.089 0.000 1.028 14 D CB 0.329 41.160 40.800 0.050 0.000 1.093 14 D HN 0.127 nan 8.370 nan 0.000 0.545 15 D N -1.577 118.858 120.400 0.058 0.000 2.310 15 D HA -0.089 4.551 4.640 -0.000 0.000 0.212 15 D C 0.998 177.325 176.300 0.044 0.000 0.965 15 D CA 0.869 54.899 54.000 0.050 0.000 0.879 15 D CB 0.109 40.932 40.800 0.038 0.000 0.921 15 D HN 0.246 nan 8.370 nan 0.000 0.510 16 Q N 0.230 120.052 119.800 0.036 0.000 2.179 16 Q HA 0.059 4.399 4.340 -0.000 0.000 0.213 16 Q C -0.164 175.850 176.000 0.024 0.000 0.833 16 Q CA 0.110 55.929 55.803 0.027 0.000 0.990 16 Q CB 0.806 29.554 28.738 0.017 0.000 1.132 16 Q HN 0.201 nan 8.270 nan 0.000 0.493 17 E N 0.396 120.619 120.200 0.037 0.000 2.539 17 E HA -0.230 4.120 4.350 -0.000 0.000 0.253 17 E C -0.398 176.179 176.600 -0.039 0.000 1.145 17 E CA 0.529 56.941 56.400 0.020 0.000 0.738 17 E CB -1.415 28.310 29.700 0.043 0.000 1.308 17 E HN 0.433 nan 8.360 nan 0.000 0.409 18 R N 0.678 121.159 120.500 -0.032 0.000 2.638 18 R HA 0.072 4.411 4.340 -0.000 0.000 0.268 18 R C 0.726 176.975 176.300 -0.086 0.000 1.006 18 R CA 0.810 56.884 56.100 -0.044 0.000 1.088 18 R CB 0.436 30.721 30.300 -0.026 0.000 0.950 18 R HN 0.171 nan 8.270 nan 0.000 0.419 19 E N 2.276 122.431 120.200 -0.075 0.000 2.312 19 E HA 0.429 4.779 4.350 -0.000 0.000 0.267 19 E C -1.059 175.510 176.600 -0.052 0.000 0.894 19 E CA -0.950 55.399 56.400 -0.086 0.000 0.773 19 E CB 1.900 31.543 29.700 -0.094 0.000 1.241 19 E HN 0.131 nan 8.360 nan 0.000 0.432 20 L N 1.039 122.234 121.223 -0.046 0.000 2.370 20 L HA 0.410 4.750 4.340 -0.000 0.000 0.266 20 L C -0.434 176.423 176.870 -0.023 0.000 1.002 20 L CA -0.484 54.339 54.840 -0.029 0.000 0.818 20 L CB 2.027 44.072 42.059 -0.023 0.000 1.325 20 L HN 0.507 nan 8.230 nan 0.000 0.418 21 E N 0.999 121.190 120.200 -0.016 0.000 2.195 21 E HA 0.302 4.652 4.350 -0.000 0.000 0.271 21 E C -1.118 175.476 176.600 -0.009 0.000 0.923 21 E CA -0.526 55.867 56.400 -0.012 0.000 0.790 21 E CB 0.982 30.677 29.700 -0.010 0.000 1.155 21 E HN 0.588 nan 8.360 nan 0.000 0.402 22 D N 1.276 121.672 120.400 -0.007 0.000 2.735 22 D HA -0.216 4.424 4.640 -0.000 0.000 0.235 22 D C -0.982 175.314 176.300 -0.007 0.000 1.175 22 D CA 1.204 55.201 54.000 -0.006 0.000 0.683 22 D CB -1.101 39.696 40.800 -0.005 0.000 1.008 22 D HN 0.440 nan 8.370 nan 0.000 0.416 23 A N 0.260 123.076 122.820 -0.007 0.000 2.437 23 A HA 0.739 5.059 4.320 -0.000 0.000 0.288 23 A C -0.561 177.018 177.584 -0.008 0.000 1.201 23 A CA -0.716 51.317 52.037 -0.008 0.000 0.795 23 A CB 1.762 20.756 19.000 -0.010 0.000 1.359 23 A HN -0.005 nan 8.150 nan 0.000 0.435 24 D N -0.356 120.039 120.400 -0.008 0.000 2.419 24 D HA 0.639 5.279 4.640 -0.000 0.000 0.234 24 D C -1.022 175.273 176.300 -0.010 0.000 1.014 24 D CA 0.065 54.059 54.000 -0.009 0.000 0.919 24 D CB 1.706 42.500 40.800 -0.009 0.000 1.366 24 D HN 0.398 nan 8.370 nan 0.000 0.490 25 I N 1.230 121.793 120.570 -0.012 0.000 2.466 25 I HA 0.273 4.443 4.170 -0.000 0.000 0.289 25 I C -1.055 175.052 176.117 -0.017 0.000 1.026 25 I CA -0.998 60.294 61.300 -0.013 0.000 1.078 25 I CB 2.008 39.999 38.000 -0.014 0.000 1.249 25 I HN 0.011 nan 8.210 nan 0.000 0.429 26 L N 8.196 129.409 121.223 -0.017 0.000 2.322 26 L HA 0.668 5.008 4.340 -0.000 0.000 0.281 26 L C -0.953 175.900 176.870 -0.028 0.000 1.014 26 L CA -0.154 54.674 54.840 -0.020 0.000 0.815 26 L CB 1.349 43.399 42.059 -0.015 0.000 1.247 26 L HN 0.403 nan 8.230 nan 0.000 0.421 27 I N 3.706 124.255 120.570 -0.035 0.000 2.545 27 I HA 0.402 4.571 4.170 -0.000 0.000 0.292 27 I C -1.377 174.709 176.117 -0.051 0.000 1.040 27 I CA -0.582 60.688 61.300 -0.051 0.000 1.068 27 I CB 2.184 40.149 38.000 -0.057 0.000 1.251 27 I HN 0.507 nan 8.210 nan 0.000 0.424 28 D N 4.522 124.883 120.400 -0.065 0.000 2.476 28 D HA 0.548 5.188 4.640 -0.000 0.000 0.251 28 D C 0.354 176.605 176.300 -0.082 0.000 1.291 28 D CA 0.728 54.694 54.000 -0.057 0.000 0.939 28 D CB 1.378 42.156 40.800 -0.038 0.000 1.221 28 D HN 0.825 nan 8.370 nan 0.000 0.567 29 G N 5.032 113.787 108.800 -0.076 0.000 2.556 29 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.283 29 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.283 29 G C -1.606 173.204 174.900 -0.149 0.000 1.177 29 G CA 0.119 45.164 45.100 -0.091 0.000 0.978 29 G HN 0.515 nan 8.290 nan 0.000 0.554 30 P HA 0.210 nan 4.420 nan 0.000 0.245 30 P C 0.326 177.278 177.300 -0.581 0.000 1.206 30 P CA 1.384 64.258 63.100 -0.376 0.000 0.781 30 P CB 0.044 31.472 31.700 -0.453 0.000 0.994 31 K N -0.220 119.894 120.400 -0.476 0.000 2.267 31 K HA 0.486 4.806 4.320 -0.000 0.000 0.246 31 K C -0.635 175.857 176.600 -0.180 0.000 0.954 31 K CA -1.080 54.949 56.287 -0.430 0.000 0.824 31 K CB 1.614 33.887 32.500 -0.379 0.000 1.167 31 K HN -0.216 nan 8.250 nan 0.000 0.431 32 I N 3.137 123.642 120.570 -0.108 0.000 2.471 32 I HA -0.052 4.117 4.170 -0.000 0.000 0.286 32 I C 1.004 177.108 176.117 -0.022 0.000 1.079 32 I CA -0.366 60.905 61.300 -0.047 0.000 1.398 32 I CB 1.377 39.367 38.000 -0.016 0.000 1.403 32 I HN 0.529 nan 8.210 nan 0.000 0.530 33 V N 5.846 125.748 119.914 -0.021 0.000 2.575 33 V HA 0.236 4.356 4.120 -0.000 0.000 0.242 33 V C 0.722 176.816 176.094 0.001 0.000 1.045 33 V CA 1.035 63.331 62.300 -0.007 0.000 1.065 33 V CB -0.071 31.745 31.823 -0.012 0.000 0.717 33 V HN 0.854 nan 8.190 nan 0.000 0.467 34 A N -0.773 122.045 122.820 -0.003 0.000 2.594 34 A HA 0.728 5.048 4.320 -0.000 0.000 0.295 34 A C -1.576 176.007 177.584 -0.002 0.000 1.071 34 A CA -0.343 51.694 52.037 -0.000 0.000 0.685 34 A CB 2.056 21.055 19.000 -0.001 0.000 1.285 34 A HN 0.002 nan 8.150 nan 0.000 0.405 35 V N 1.239 121.153 119.914 0.000 0.000 2.447 35 V HA 0.846 4.966 4.120 -0.000 0.000 0.292 35 V C 0.474 176.566 176.094 -0.003 0.000 1.021 35 V CA 0.528 62.826 62.300 -0.002 0.000 0.850 35 V CB 1.034 32.857 31.823 0.000 0.000 1.005 35 V HN 1.952 nan 8.190 nan 0.000 0.426 36 G N 3.977 112.774 108.800 -0.005 0.000 2.342 36 G HA2 0.362 4.322 3.960 -0.000 0.000 0.297 36 G HA3 0.362 4.322 3.960 -0.000 0.000 0.297 36 G C -1.677 173.219 174.900 -0.006 0.000 1.313 36 G CA -0.906 44.191 45.100 -0.006 0.000 0.830 36 G HN 0.416 nan 8.290 nan 0.000 0.506 37 K N 0.340 120.736 120.400 -0.006 0.000 2.174 37 K HA 0.371 4.691 4.320 -0.000 0.000 0.275 37 K C -0.159 176.438 176.600 -0.005 0.000 1.015 37 K CA -0.071 56.213 56.287 -0.006 0.000 0.933 37 K CB 1.148 33.645 32.500 -0.005 0.000 1.025 37 K HN 0.645 nan 8.250 nan 0.000 0.463 38 D N 1.866 122.263 120.400 -0.005 0.000 2.689 38 D HA -0.192 4.448 4.640 -0.000 0.000 0.237 38 D C -0.616 175.681 176.300 -0.005 0.000 1.148 38 D CA 0.502 54.499 54.000 -0.005 0.000 0.656 38 D CB -1.001 39.796 40.800 -0.004 0.000 1.050 38 D HN 0.390 nan 8.370 nan 0.000 0.426 39 L N 0.100 121.320 121.223 -0.006 0.000 2.483 39 L HA 0.088 4.427 4.340 -0.000 0.000 0.275 39 L C 1.271 178.137 176.870 -0.006 0.000 1.220 39 L CA 0.124 54.961 54.840 -0.006 0.000 0.833 39 L CB 0.698 42.752 42.059 -0.007 0.000 1.102 39 L HN 0.143 nan 8.230 nan 0.000 0.490 40 S N 0.303 116.000 115.700 -0.005 0.000 2.548 40 S HA 0.054 4.524 4.470 -0.000 0.000 0.277 40 S C 0.264 174.860 174.600 -0.007 0.000 1.315 40 S CA -0.843 57.353 58.200 -0.006 0.000 1.050 40 S CB 0.520 63.718 63.200 -0.004 0.000 0.918 40 S HN 0.634 nan 8.310 nan 0.000 0.497 41 D N 4.212 124.608 120.400 -0.007 0.000 2.504 41 D HA 0.037 4.677 4.640 -0.000 0.000 0.243 41 D C 1.653 177.949 176.300 -0.008 0.000 1.203 41 D CA -0.417 53.578 54.000 -0.008 0.000 0.847 41 D CB 0.062 40.857 40.800 -0.008 0.000 0.973 41 D HN 0.517 nan 8.370 nan 0.000 0.490 42 R N 0.554 121.050 120.500 -0.007 0.000 2.369 42 R HA -0.182 4.158 4.340 -0.000 0.000 0.208 42 R C 0.870 177.166 176.300 -0.007 0.000 1.030 42 R CA 1.365 57.462 56.100 -0.006 0.000 0.812 42 R CB -1.678 28.619 30.300 -0.005 0.000 0.765 42 R HN 0.127 nan 8.270 nan 0.000 0.441 43 S N 0.940 116.635 115.700 -0.007 0.000 2.671 43 S HA 0.174 4.644 4.470 -0.000 0.000 0.220 43 S C 0.165 174.759 174.600 -0.010 0.000 0.951 43 S CA -0.277 57.918 58.200 -0.008 0.000 0.932 43 S CB 0.066 63.262 63.200 -0.007 0.000 0.777 43 S HN 0.206 nan 8.310 nan 0.000 0.508 44 V N 3.545 123.453 119.914 -0.011 0.000 2.485 44 V HA 0.027 4.147 4.120 -0.000 0.000 0.287 44 V C 1.229 177.315 176.094 -0.012 0.000 1.022 44 V CA 0.309 62.602 62.300 -0.013 0.000 1.067 44 V CB 0.879 32.694 31.823 -0.013 0.000 0.967 44 V HN 0.566 nan 8.190 nan 0.000 0.479 45 S N 4.445 120.137 115.700 -0.014 0.000 2.556 45 S HA 0.260 4.730 4.470 -0.000 0.000 0.216 45 S C 0.570 175.161 174.600 -0.014 0.000 0.970 45 S CA -0.321 57.871 58.200 -0.013 0.000 0.912 45 S CB 0.191 63.383 63.200 -0.013 0.000 0.790 45 S HN 0.737 nan 8.310 nan 0.000 0.504 46 R N 0.336 120.826 120.500 -0.016 0.000 2.563 46 R HA 0.346 4.686 4.340 -0.000 0.000 0.262 46 R C -1.994 174.295 176.300 -0.018 0.000 1.128 46 R CA -0.083 56.007 56.100 -0.017 0.000 0.969 46 R CB 1.452 31.741 30.300 -0.019 0.000 1.251 46 R HN 0.116 nan 8.270 nan 0.000 0.442 47 T N 5.258 119.802 114.554 -0.017 0.000 2.792 47 T HA 0.505 4.855 4.350 -0.000 0.000 0.280 47 T C -0.147 174.542 174.700 -0.018 0.000 0.990 47 T CA -0.424 61.666 62.100 -0.017 0.000 0.960 47 T CB 0.859 69.719 68.868 -0.014 0.000 0.939 47 T HN 0.354 nan 8.240 nan 0.000 0.439 48 I N 2.555 123.113 120.570 -0.020 0.000 2.377 48 I HA 0.270 4.440 4.170 -0.000 0.000 0.293 48 I C -0.057 176.048 176.117 -0.020 0.000 0.987 48 I CA -0.871 60.415 61.300 -0.023 0.000 1.185 48 I CB 1.564 39.547 38.000 -0.029 0.000 1.341 48 I HN 0.482 nan 8.210 nan 0.000 0.455 49 D N 4.903 125.292 120.400 -0.018 0.000 2.338 49 D HA 0.158 4.797 4.640 -0.000 0.000 0.255 49 D C 0.946 177.236 176.300 -0.016 0.000 1.237 49 D CA 0.131 54.122 54.000 -0.015 0.000 0.883 49 D CB 1.385 42.177 40.800 -0.013 0.000 1.087 49 D HN 0.713 nan 8.370 nan 0.000 0.485 50 G N 3.702 112.494 108.800 -0.013 0.000 3.088 50 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.217 50 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.217 50 G C 0.706 175.603 174.900 -0.004 0.000 1.159 50 G CA -0.344 44.749 45.100 -0.011 0.000 0.760 50 G HN 0.366 nan 8.290 nan 0.000 0.550 51 R N 0.015 120.512 120.500 -0.004 0.000 2.585 51 R HA 0.368 4.708 4.340 -0.000 0.000 0.275 51 R C 1.394 177.696 176.300 0.003 0.000 1.018 51 R CA 1.035 57.135 56.100 -0.001 0.000 1.072 51 R CB 0.411 30.709 30.300 -0.003 0.000 0.953 51 R HN 0.250 nan 8.270 nan 0.000 0.419 52 G N 2.071 110.875 108.800 0.007 0.000 2.159 52 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.256 52 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.256 52 G C 0.060 174.976 174.900 0.027 0.000 0.977 52 G CA -0.019 45.089 45.100 0.013 0.000 0.652 52 G HN 0.465 nan 8.290 nan 0.000 0.531 53 M N 0.001 119.618 119.600 0.029 0.000 2.598 53 M HA 0.651 5.131 4.480 -0.000 0.000 0.317 53 M C -0.045 176.293 176.300 0.063 0.000 1.179 53 M CA -0.889 54.442 55.300 0.051 0.000 0.936 53 M CB 2.537 35.154 32.600 0.029 0.000 1.713 53 M HN 0.173 nan 8.290 nan 0.000 0.460 54 I N 1.642 122.280 120.570 0.114 0.000 2.359 54 I HA 0.665 4.834 4.170 -0.000 0.000 0.294 54 I C -0.823 175.392 176.117 0.163 0.000 0.987 54 I CA -0.359 61.011 61.300 0.117 0.000 1.225 54 I CB 1.098 39.170 38.000 0.121 0.000 1.366 54 I HN 0.816 nan 8.210 nan 0.000 0.466 55 A N 7.867 130.750 122.820 0.105 0.000 2.318 55 A HA 0.789 5.109 4.320 -0.000 0.000 0.324 55 A C -1.305 176.352 177.584 0.120 0.000 1.170 55 A CA -0.480 51.618 52.037 0.102 0.000 0.810 55 A CB 1.133 20.156 19.000 0.039 0.000 1.198 55 A HN 0.641 nan 8.150 nan 0.000 0.484 56 L N 2.132 123.468 121.223 0.189 0.000 2.283 56 L HA 0.610 4.950 4.340 -0.000 0.000 0.259 56 L C -2.389 174.588 176.870 0.179 0.000 1.027 56 L CA -1.866 53.099 54.840 0.210 0.000 0.828 56 L CB 1.981 44.244 42.059 0.341 0.000 1.380 56 L HN 0.384 nan 8.230 nan 0.000 0.425 57 P HA 0.109 nan 4.420 nan 0.000 0.267 57 P C -0.249 177.138 177.300 0.146 0.000 1.200 57 P CA -0.258 62.936 63.100 0.157 0.000 0.772 57 P CB 0.307 32.120 31.700 0.188 0.000 0.855 58 G N 3.105 111.959 108.800 0.089 0.000 2.368 58 G HA2 0.057 4.017 3.960 -0.000 0.000 0.233 58 G HA3 0.057 4.017 3.960 -0.000 0.000 0.233 58 G C -0.052 174.907 174.900 0.098 0.000 1.267 58 G CA -0.443 44.704 45.100 0.078 0.000 0.873 58 G HN 0.429 nan 8.290 nan 0.000 0.539 59 L N 1.221 122.524 121.223 0.133 0.000 2.461 59 L HA 0.279 4.619 4.340 -0.000 0.000 0.272 59 L C 0.391 177.297 176.870 0.060 0.000 1.197 59 L CA 0.126 55.033 54.840 0.113 0.000 0.836 59 L CB 0.609 42.765 42.059 0.161 0.000 1.105 59 L HN 0.339 nan 8.230 nan 0.000 0.477 60 I N 2.549 123.135 120.570 0.027 0.000 2.439 60 I HA 0.176 4.346 4.170 -0.000 0.000 0.283 60 I C -0.264 175.855 176.117 0.002 0.000 1.023 60 I CA -0.472 60.821 61.300 -0.013 0.000 1.100 60 I CB 1.579 39.532 38.000 -0.079 0.000 1.238 60 I HN 0.492 nan 8.210 nan 0.000 0.445 61 N N 4.144 122.857 118.700 0.022 0.000 2.482 61 N HA 0.057 4.797 4.740 -0.000 0.000 0.242 61 N C 0.882 176.398 175.510 0.011 0.000 1.100 61 N CA -0.042 53.040 53.050 0.053 0.000 0.946 61 N CB 0.920 39.452 38.487 0.075 0.000 1.227 61 N HN 0.630 nan 8.380 nan 0.000 0.508 62 S N 1.795 117.503 115.700 0.014 0.000 2.650 62 S HA 0.010 4.480 4.470 -0.000 0.000 0.219 62 S C 0.221 174.948 174.600 0.211 0.000 0.960 62 S CA 0.101 58.293 58.200 -0.014 0.000 0.925 62 S CB -0.278 62.842 63.200 -0.134 0.000 0.775 62 S HN 0.682 nan 8.310 nan 0.000 0.525 63 H N 0.351 119.443 119.070 0.037 0.000 3.287 63 H HA 0.459 5.015 4.556 -0.000 0.000 0.329 63 H C -1.050 174.232 175.328 -0.076 0.000 1.130 63 H CA -0.160 55.898 56.048 0.017 0.000 1.593 63 H CB 0.590 30.367 29.762 0.025 0.000 1.916 63 H HN 0.061 nan 8.280 nan 0.000 0.503 64 Q N 2.182 121.738 119.800 -0.406 0.000 2.433 64 Q HA 0.352 4.692 4.340 -0.000 0.000 0.279 64 Q C -0.913 174.745 176.000 -0.571 0.000 1.105 64 Q CA -0.855 54.753 55.803 -0.324 0.000 0.815 64 Q CB 2.016 30.726 28.738 -0.047 0.000 1.403 64 Q HN 0.723 nan 8.270 nan 0.000 0.435 65 H N 3.103 122.160 119.070 -0.022 0.000 2.716 65 H HA 0.241 4.797 4.556 -0.000 0.000 0.260 65 H C 0.972 176.295 175.328 -0.010 0.000 1.280 65 H CA -0.099 55.959 56.048 0.017 0.000 1.506 65 H CB 0.489 30.234 29.762 -0.029 0.000 1.514 65 H HN 0.455 nan 8.280 nan 0.000 0.502 66 L N 1.310 122.674 121.223 0.236 0.000 2.042 66 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 66 L C 2.397 179.368 176.870 0.168 0.000 1.076 66 L CA 1.664 56.624 54.840 0.200 0.000 0.749 66 L CB -0.525 41.690 42.059 0.260 0.000 0.893 66 L HN 0.581 nan 8.230 nan 0.000 0.432 67 Y N 0.059 120.472 120.300 0.189 0.000 2.384 67 Y HA -0.176 4.373 4.550 -0.000 0.000 0.289 67 Y C 1.949 177.974 175.900 0.207 0.000 1.152 67 Y CA 0.833 59.024 58.100 0.153 0.000 1.258 67 Y CB -0.954 37.545 38.460 0.065 0.000 0.979 67 Y HN 0.185 nan 8.280 nan 0.000 0.549 68 E N 0.845 120.686 120.200 -0.598 0.000 2.515 68 E HA -0.041 4.308 4.350 -0.000 0.000 0.201 68 E C 2.201 178.782 176.600 -0.033 0.000 1.071 68 E CA 0.390 56.574 56.400 -0.359 0.000 0.880 68 E CB -0.192 29.295 29.700 -0.355 0.000 0.828 68 E HN 0.760 nan 8.360 nan 0.000 0.540 69 G N 1.205 110.026 108.800 0.035 0.000 2.470 69 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 69 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 69 G C 1.481 176.445 174.900 0.106 0.000 1.121 69 G CA 0.600 45.746 45.100 0.076 0.000 0.766 69 G HN 0.319 nan 8.290 nan 0.000 0.553 70 A N -0.046 122.879 122.820 0.175 0.000 2.238 70 A HA 0.459 4.779 4.320 -0.000 0.000 0.208 70 A C 1.691 179.387 177.584 0.186 0.000 1.177 70 A CA 0.288 52.438 52.037 0.188 0.000 0.804 70 A CB -0.099 19.108 19.000 0.346 0.000 0.823 70 A HN 0.369 nan 8.150 nan 0.000 0.482 71 M N 0.113 119.813 119.600 0.166 0.000 2.876 71 M HA 0.242 4.722 4.480 -0.000 0.000 0.367 71 M C -0.304 176.048 176.300 0.086 0.000 1.242 71 M CA -0.094 55.296 55.300 0.150 0.000 0.889 71 M CB 0.506 33.145 32.600 0.065 0.000 1.353 71 M HN 0.120 nan 8.290 nan 0.000 0.511 72 R N 1.100 121.648 120.500 0.080 0.000 2.441 72 R HA 0.578 4.918 4.340 -0.000 0.000 0.284 72 R C 0.922 177.255 176.300 0.056 0.000 1.070 72 R CA 0.206 56.346 56.100 0.065 0.000 1.047 72 R CB 0.801 31.135 30.300 0.056 0.000 1.016 72 R HN 0.451 nan 8.270 nan 0.000 0.477 73 A N 2.656 125.507 122.820 0.051 0.000 2.791 73 A HA -0.188 4.131 4.320 -0.000 0.000 0.292 73 A C 0.137 177.744 177.584 0.037 0.000 1.487 73 A CA 0.418 52.480 52.037 0.040 0.000 0.760 73 A CB -1.986 17.034 19.000 0.033 0.000 1.031 73 A HN 0.657 nan 8.150 nan 0.000 0.503 74 I N -0.260 120.333 120.570 0.039 0.000 2.379 74 I HA 0.144 4.314 4.170 -0.000 0.000 0.290 74 I C -0.839 175.290 176.117 0.020 0.000 1.063 74 I CA -2.026 59.291 61.300 0.030 0.000 1.351 74 I CB 1.086 39.095 38.000 0.016 0.000 1.410 74 I HN 0.077 nan 8.210 nan 0.000 0.505 75 P HA -0.193 nan 4.420 nan 0.000 0.216 75 P C 0.998 178.304 177.300 0.008 0.000 1.150 75 P CA 1.338 64.446 63.100 0.013 0.000 0.837 75 P CB 0.162 31.869 31.700 0.011 0.000 0.786 76 Q N -1.225 118.576 119.800 0.000 0.000 2.436 76 Q HA 0.043 4.383 4.340 -0.000 0.000 0.209 76 Q C 1.561 177.558 176.000 -0.006 0.000 0.965 76 Q CA 0.796 56.594 55.803 -0.007 0.000 0.910 76 Q CB -0.417 28.309 28.738 -0.021 0.000 0.980 76 Q HN 0.294 nan 8.270 nan 0.000 0.491 77 L N -0.268 120.956 121.223 0.001 0.000 2.728 77 L HA 0.158 4.498 4.340 -0.000 0.000 0.238 77 L C 1.850 178.764 176.870 0.073 0.000 1.143 77 L CA 0.002 54.860 54.840 0.030 0.000 0.937 77 L CB 0.096 42.147 42.059 -0.013 0.000 1.225 77 L HN 0.273 nan 8.230 nan 0.000 0.507 78 E N 1.779 122.004 120.200 0.041 0.000 2.051 78 E HA -0.119 4.230 4.350 -0.000 0.000 0.192 78 E C 0.512 177.126 176.600 0.024 0.000 0.991 78 E CA 0.990 57.410 56.400 0.034 0.000 0.799 78 E CB 0.390 30.101 29.700 0.019 0.000 0.748 78 E HN 0.363 nan 8.360 nan 0.000 0.449 79 R N 0.623 121.135 120.500 0.019 0.000 2.443 79 R HA 0.262 4.602 4.340 -0.000 0.000 0.287 79 R C -1.005 175.304 176.300 0.015 0.000 1.425 79 R CA -0.359 55.744 56.100 0.006 0.000 1.300 79 R CB 1.631 31.930 30.300 -0.002 0.000 1.129 79 R HN -0.021 nan 8.270 nan 0.000 0.577 80 V N -1.835 118.094 119.914 0.025 0.000 3.049 80 V HA 0.602 4.722 4.120 -0.000 0.000 0.309 80 V C 0.446 176.555 176.094 0.024 0.000 1.148 80 V CA -1.058 61.269 62.300 0.044 0.000 0.990 80 V CB 1.825 33.705 31.823 0.095 0.000 1.039 80 V HN 0.586 nan 8.190 nan 0.000 0.430 81 T N 0.161 114.737 114.554 0.036 0.000 2.788 81 T HA 0.310 4.660 4.350 -0.000 0.000 0.287 81 T C 0.987 175.736 174.700 0.081 0.000 1.007 81 T CA 0.530 62.652 62.100 0.037 0.000 1.005 81 T CB 0.820 69.721 68.868 0.055 0.000 1.012 81 T HN 0.993 nan 8.240 nan 0.000 0.530 82 M N 1.629 121.286 119.600 0.096 0.000 2.108 82 M HA 0.031 4.511 4.480 -0.000 0.000 0.261 82 M C 2.326 178.754 176.300 0.214 0.000 1.066 82 M CA 2.292 57.686 55.300 0.158 0.000 1.107 82 M CB -1.430 31.341 32.600 0.286 0.000 1.356 82 M HN 0.874 nan 8.290 nan 0.000 0.406 83 A N -0.955 121.951 122.820 0.142 0.000 1.883 83 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 83 A C 2.250 179.895 177.584 0.102 0.000 1.186 83 A CA 2.447 54.548 52.037 0.106 0.000 0.624 83 A CB -1.267 17.770 19.000 0.062 0.000 0.822 83 A HN 0.622 nan 8.150 nan 0.000 0.444 84 S N -1.881 113.877 115.700 0.096 0.000 2.383 84 S HA -0.180 4.290 4.470 -0.000 0.000 0.227 84 S C 1.507 176.153 174.600 0.076 0.000 1.026 84 S CA 1.258 59.497 58.200 0.065 0.000 0.981 84 S CB -0.499 62.733 63.200 0.053 0.000 0.818 84 S HN 0.779 nan 8.310 nan 0.000 0.472 85 W N 2.108 123.379 121.300 -0.049 0.000 2.353 85 W HA -0.106 4.554 4.660 -0.001 0.000 0.319 85 W C 1.936 178.412 176.519 -0.073 0.000 1.207 85 W CA 0.940 58.244 57.345 -0.069 0.000 1.291 85 W CB -0.661 28.746 29.460 -0.088 0.000 1.159 85 W HN 0.206 nan 8.180 nan 0.000 0.478 86 L N 1.454 122.844 121.223 0.278 0.000 2.012 86 L HA -0.231 4.108 4.340 -0.000 0.000 0.210 86 L C 2.397 179.178 176.870 -0.149 0.000 1.073 86 L CA 2.768 57.638 54.840 0.051 0.000 0.748 86 L CB -1.420 40.750 42.059 0.186 0.000 0.891 86 L HN 0.197 nan 8.230 nan 0.000 0.431 87 E N -0.712 119.447 120.200 -0.068 0.000 2.085 87 E HA -0.154 4.195 4.350 -0.000 0.000 0.194 87 E C 2.096 178.597 176.600 -0.165 0.000 0.994 87 E CA 1.641 57.993 56.400 -0.080 0.000 0.801 87 E CB -0.812 28.869 29.700 -0.031 0.000 0.743 87 E HN 0.478 nan 8.360 nan 0.000 0.453 88 G N -0.309 108.352 108.800 -0.233 0.000 2.421 88 G HA2 -0.149 3.810 3.960 -0.000 0.000 0.217 88 G HA3 -0.149 3.810 3.960 -0.000 0.000 0.217 88 G C 1.662 176.312 174.900 -0.417 0.000 1.143 88 G CA 0.838 45.766 45.100 -0.288 0.000 0.784 88 G HN 0.246 nan 8.290 nan 0.000 0.541 89 V N 1.041 120.610 119.914 -0.575 0.000 2.283 89 V HA -0.049 4.071 4.120 -0.000 0.000 0.243 89 V C 2.881 178.718 176.094 -0.429 0.000 1.039 89 V CA 1.204 63.127 62.300 -0.629 0.000 1.016 89 V CB -0.510 30.735 31.823 -0.962 0.000 0.650 89 V HN 0.311 nan 8.190 nan 0.000 0.449 90 L N -0.216 120.819 121.223 -0.313 0.000 2.042 90 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 90 L C 2.654 179.482 176.870 -0.070 0.000 1.076 90 L CA 2.018 56.779 54.840 -0.131 0.000 0.749 90 L CB -1.260 40.751 42.059 -0.080 0.000 0.893 90 L HN 0.350 nan 8.230 nan 0.000 0.432 91 T N -0.490 113.978 114.554 -0.144 0.000 2.684 91 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 91 T C 2.085 176.619 174.700 -0.276 0.000 1.036 91 T CA 1.468 63.482 62.100 -0.142 0.000 1.148 91 T CB -0.154 68.622 68.868 -0.153 0.000 0.863 91 T HN 0.297 nan 8.240 nan 0.000 0.436 92 R N 0.965 121.164 120.500 -0.501 0.000 2.075 92 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 92 R C 3.008 178.576 176.300 -1.219 0.000 1.126 92 R CA 1.673 57.182 56.100 -0.985 0.000 0.963 92 R CB -0.359 29.230 30.300 -1.186 0.000 0.858 92 R HN 0.484 nan 8.270 nan 0.000 0.435 93 S N 0.653 115.882 115.700 -0.786 0.000 2.383 93 S HA -0.054 4.416 4.470 -0.000 0.000 0.227 93 S C 2.200 176.774 174.600 -0.043 0.000 1.026 93 S CA 0.913 58.739 58.200 -0.623 0.000 0.981 93 S CB -0.121 62.766 63.200 -0.521 0.000 0.818 93 S HN 0.354 nan 8.310 nan 0.000 0.472 94 A N 1.910 124.872 122.820 0.236 0.000 1.929 94 A HA 0.347 4.667 4.320 -0.000 0.000 0.216 94 A C 2.327 180.151 177.584 0.401 0.000 1.176 94 A CA 1.222 53.566 52.037 0.512 0.000 0.628 94 A CB -1.571 17.647 19.000 0.364 0.000 0.816 94 A HN 0.589 nan 8.150 nan 0.000 0.444 95 G N -1.015 107.855 108.800 0.116 0.000 2.433 95 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 95 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 95 G C 1.346 176.378 174.900 0.221 0.000 1.186 95 G CA 0.991 46.145 45.100 0.090 0.000 0.779 95 G HN 0.542 nan 8.290 nan 0.000 0.543 96 W N -0.055 121.270 121.300 0.042 0.000 2.338 96 W HA 0.012 4.672 4.660 0.000 0.000 0.304 96 W C 2.230 178.877 176.519 0.213 0.000 1.212 96 W CA 0.127 57.480 57.345 0.013 0.000 1.264 96 W CB -1.340 27.959 29.460 -0.269 0.000 1.142 96 W HN 0.419 nan 8.180 nan 0.000 0.512 97 W N 1.156 122.727 121.300 0.452 0.000 2.381 97 W HA -0.153 4.507 4.660 -0.000 0.000 0.301 97 W C 2.628 179.348 176.519 0.335 0.000 1.205 97 W CA 2.160 59.821 57.345 0.525 0.000 1.285 97 W CB -0.662 29.264 29.460 0.777 0.000 1.133 97 W HN -0.217 nan 8.180 nan 0.000 0.521 98 R N 0.129 120.721 120.500 0.153 0.000 2.120 98 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 98 R C 0.883 177.075 176.300 -0.180 0.000 1.123 98 R CA 1.752 57.715 56.100 -0.229 0.000 0.975 98 R CB -0.412 29.913 30.300 0.041 0.000 0.866 98 R HN 0.058 nan 8.270 nan 0.000 0.446 99 D N -0.902 119.496 120.400 -0.003 0.000 2.319 99 D HA 0.112 4.752 4.640 -0.000 0.000 0.230 99 D C 0.786 177.086 176.300 -0.001 0.000 1.094 99 D CA 0.815 54.821 54.000 0.010 0.000 0.856 99 D CB 0.500 41.347 40.800 0.079 0.000 0.915 99 D HN 0.436 nan 8.370 nan 0.000 0.517 100 G N 1.352 110.122 108.800 -0.050 0.000 2.168 100 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.257 100 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.257 100 G C 0.998 175.952 174.900 0.090 0.000 0.997 100 G CA 0.345 45.432 45.100 -0.023 0.000 0.708 100 G HN 0.395 nan 8.290 nan 0.000 0.520 101 K N -1.193 119.308 120.400 0.167 0.000 2.374 101 K HA 0.388 4.708 4.320 -0.000 0.000 0.196 101 K C 0.234 177.062 176.600 0.380 0.000 1.023 101 K CA -0.123 56.266 56.287 0.170 0.000 1.103 101 K CB 0.395 32.919 32.500 0.041 0.000 0.848 101 K HN 0.270 nan 8.250 nan 0.000 0.528 102 F N 0.685 120.795 119.950 0.267 0.000 2.605 102 F HA 0.320 4.847 4.527 -0.000 0.000 0.391 102 F C 0.338 176.486 175.800 0.580 0.000 1.429 102 F CA -1.201 57.034 58.000 0.391 0.000 1.138 102 F CB 0.353 39.635 39.000 0.469 0.000 1.198 102 F HN -0.133 nan 8.300 nan 0.000 0.516 103 G N 1.260 110.312 108.800 0.421 0.000 2.599 103 G HA2 0.310 4.270 3.960 -0.000 0.000 0.264 103 G HA3 0.310 4.270 3.960 -0.000 0.000 0.264 103 G C -1.634 173.352 174.900 0.143 0.000 1.200 103 G CA -1.120 44.167 45.100 0.312 0.000 0.896 103 G HN 0.057 nan 8.290 nan 0.000 0.536 104 P HA -0.114 nan 4.420 nan 0.000 0.218 104 P C 1.096 178.374 177.300 -0.036 0.000 1.146 104 P CA 1.161 64.126 63.100 -0.225 0.000 0.820 104 P CB 0.255 31.737 31.700 -0.365 0.000 0.778 105 D N -1.328 119.068 120.400 -0.007 0.000 2.178 105 D HA -0.078 4.561 4.640 -0.000 0.000 0.202 105 D C 1.966 178.285 176.300 0.032 0.000 0.974 105 D CA 0.895 54.903 54.000 0.013 0.000 0.841 105 D CB -0.508 40.302 40.800 0.017 0.000 0.953 105 D HN 0.038 nan 8.370 nan 0.000 0.478 106 V N 0.923 120.871 119.914 0.056 0.000 2.379 106 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 106 V C 2.322 178.440 176.094 0.039 0.000 1.044 106 V CA 0.818 63.157 62.300 0.065 0.000 1.036 106 V CB -0.189 31.710 31.823 0.127 0.000 0.664 106 V HN 0.071 nan 8.190 nan 0.000 0.453 107 I N 0.108 120.689 120.570 0.019 0.000 2.286 107 I HA -0.187 3.982 4.170 -0.000 0.000 0.248 107 I C 2.530 178.684 176.117 0.062 0.000 1.115 107 I CA 1.410 62.738 61.300 0.046 0.000 1.392 107 I CB -0.817 37.277 38.000 0.158 0.000 1.065 107 I HN 0.226 nan 8.210 nan 0.000 0.418 108 R N 0.570 121.093 120.500 0.038 0.000 2.083 108 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 108 R C 1.990 178.296 176.300 0.011 0.000 1.137 108 R CA 1.555 57.661 56.100 0.011 0.000 0.951 108 R CB -0.032 30.267 30.300 -0.001 0.000 0.851 108 R HN 0.265 nan 8.270 nan 0.000 0.434 109 E N -0.014 120.199 120.200 0.022 0.000 2.158 109 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 109 E C 2.083 178.704 176.600 0.034 0.000 0.982 109 E CA 0.770 57.183 56.400 0.021 0.000 0.823 109 E CB -0.088 29.625 29.700 0.023 0.000 0.766 109 E HN 0.217 nan 8.360 nan 0.000 0.468 110 V N 1.659 121.607 119.914 0.056 0.000 2.307 110 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 110 V C 2.430 178.567 176.094 0.071 0.000 1.045 110 V CA 1.737 64.084 62.300 0.078 0.000 1.024 110 V CB -0.867 31.030 31.823 0.123 0.000 0.651 110 V HN 0.233 nan 8.190 nan 0.000 0.449 111 A N -0.094 122.766 122.820 0.066 0.000 1.908 111 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 111 A C 2.413 179.999 177.584 0.003 0.000 1.181 111 A CA 2.109 54.173 52.037 0.045 0.000 0.627 111 A CB -0.604 18.408 19.000 0.020 0.000 0.818 111 A HN 0.466 nan 8.150 nan 0.000 0.445 112 R N -0.561 119.935 120.500 -0.007 0.000 2.091 112 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 112 R C 2.309 178.609 176.300 0.000 0.000 1.136 112 R CA 1.461 57.549 56.100 -0.019 0.000 0.959 112 R CB -0.345 29.945 30.300 -0.016 0.000 0.856 112 R HN 0.484 nan 8.270 nan 0.000 0.437 113 A N -0.094 122.736 122.820 0.017 0.000 1.897 113 A HA -0.058 4.262 4.320 -0.000 0.000 0.215 113 A C 2.205 179.809 177.584 0.032 0.000 1.181 113 A CA 1.226 53.278 52.037 0.024 0.000 0.620 113 A CB -0.335 18.682 19.000 0.029 0.000 0.821 113 A HN 0.209 nan 8.150 nan 0.000 0.443 114 V N 0.183 120.123 119.914 0.044 0.000 2.427 114 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 114 V C 2.483 178.610 176.094 0.054 0.000 1.051 114 V CA 1.715 64.048 62.300 0.056 0.000 1.048 114 V CB -0.715 31.152 31.823 0.072 0.000 0.666 114 V HN 0.541 nan 8.190 nan 0.000 0.456 115 L N -0.821 120.426 121.223 0.041 0.000 2.156 115 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 115 L C 2.371 179.256 176.870 0.025 0.000 1.095 115 L CA 0.866 55.727 54.840 0.035 0.000 0.770 115 L CB -0.460 41.593 42.059 -0.009 0.000 0.914 115 L HN 0.341 nan 8.230 nan 0.000 0.439 116 L N 0.281 121.513 121.223 0.016 0.000 2.044 116 L HA -0.194 4.146 4.340 -0.000 0.000 0.205 116 L C 2.486 179.369 176.870 0.021 0.000 1.075 116 L CA 1.812 56.658 54.840 0.011 0.000 0.747 116 L CB -0.688 41.374 42.059 0.006 0.000 0.903 116 L HN 0.294 nan 8.230 nan 0.000 0.435 117 E N -0.817 119.402 120.200 0.030 0.000 2.130 117 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 117 E C 1.964 178.595 176.600 0.050 0.000 0.998 117 E CA 1.670 58.093 56.400 0.040 0.000 0.806 117 E CB -0.072 29.655 29.700 0.046 0.000 0.738 117 E HN 0.619 nan 8.360 nan 0.000 0.459 118 S N 0.765 116.498 115.700 0.055 0.000 2.356 118 S HA -0.142 4.328 4.470 -0.000 0.000 0.223 118 S C 2.003 176.637 174.600 0.056 0.000 1.032 118 S CA 1.202 59.443 58.200 0.067 0.000 1.005 118 S CB -0.299 62.947 63.200 0.077 0.000 0.867 118 S HN 0.287 nan 8.310 nan 0.000 0.449 119 L N 1.033 122.276 121.223 0.034 0.000 2.042 119 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 119 L C 2.120 178.984 176.870 -0.010 0.000 1.076 119 L CA 1.098 55.942 54.840 0.008 0.000 0.749 119 L CB -0.575 41.482 42.059 -0.004 0.000 0.893 119 L HN 0.295 nan 8.230 nan 0.000 0.432 120 L N -0.689 120.537 121.223 0.005 0.000 2.362 120 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 120 L C 2.068 178.957 176.870 0.031 0.000 1.134 120 L CA 0.796 55.635 54.840 -0.001 0.000 0.807 120 L CB -0.634 41.433 42.059 0.012 0.000 0.927 120 L HN 0.280 nan 8.230 nan 0.000 0.447 121 G N -1.391 107.455 108.800 0.077 0.000 3.284 121 G HA2 0.329 4.289 3.960 -0.000 0.000 0.236 121 G HA3 0.329 4.289 3.960 -0.000 0.000 0.236 121 G C 1.149 176.203 174.900 0.256 0.000 1.158 121 G CA 0.361 45.566 45.100 0.176 0.000 0.774 121 G HN 0.407 nan 8.290 nan 0.000 0.545 122 G N 0.108 108.951 108.800 0.072 0.000 2.136 122 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.242 122 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.242 122 G C 0.211 175.172 174.900 0.100 0.000 0.989 122 G CA 0.086 45.178 45.100 -0.013 0.000 0.682 122 G HN 0.485 nan 8.290 nan 0.000 0.522 123 I N 1.623 122.247 120.570 0.091 0.000 2.315 123 I HA 0.355 4.525 4.170 -0.000 0.000 0.291 123 I C 1.643 177.793 176.117 0.056 0.000 1.006 123 I CA 0.218 61.571 61.300 0.088 0.000 1.265 123 I CB 1.519 39.575 38.000 0.094 0.000 1.387 123 I HN 0.228 nan 8.210 nan 0.000 0.475 124 T N -0.370 114.214 114.554 0.050 0.000 3.001 124 T HA 0.167 4.516 4.350 -0.000 0.000 0.251 124 T C 0.616 175.350 174.700 0.056 0.000 1.040 124 T CA 0.082 62.205 62.100 0.039 0.000 0.985 124 T CB 0.219 69.102 68.868 0.025 0.000 1.011 124 T HN 0.492 nan 8.240 nan 0.000 0.509 125 T N 1.576 116.161 114.554 0.052 0.000 2.971 125 T HA 0.638 4.988 4.350 -0.000 0.000 0.304 125 T C -1.318 173.410 174.700 0.046 0.000 1.038 125 T CA -0.541 61.591 62.100 0.053 0.000 1.007 125 T CB 2.385 71.243 68.868 -0.017 0.000 1.055 125 T HN 0.041 nan 8.240 nan 0.000 0.451 126 V N 2.167 122.146 119.914 0.109 0.000 2.540 126 V HA 0.817 4.937 4.120 -0.000 0.000 0.302 126 V C -0.196 175.878 176.094 -0.032 0.000 1.035 126 V CA -0.946 61.412 62.300 0.098 0.000 0.873 126 V CB 1.797 33.765 31.823 0.242 0.000 0.992 126 V HN 1.085 nan 8.190 nan 0.000 0.428 127 A N 3.012 125.781 122.820 -0.085 0.000 2.256 127 A HA 0.668 4.988 4.320 -0.000 0.000 0.317 127 A C -0.633 176.903 177.584 -0.079 0.000 1.318 127 A CA -0.356 51.609 52.037 -0.120 0.000 0.894 127 A CB 0.512 19.492 19.000 -0.034 0.000 1.165 127 A HN 0.828 nan 8.150 nan 0.000 0.525 128 D N 1.355 121.662 120.400 -0.154 0.000 2.163 128 D HA 0.349 4.989 4.640 -0.000 0.000 0.248 128 D C -0.231 176.118 176.300 0.081 0.000 1.035 128 D CA 0.027 54.039 54.000 0.020 0.000 0.872 128 D CB 1.035 41.986 40.800 0.252 0.000 1.183 128 D HN 0.495 nan 8.370 nan 0.000 0.445 129 Q N 3.024 122.900 119.800 0.127 0.000 2.508 129 Q HA 0.154 4.494 4.340 -0.000 0.000 0.247 129 Q C -1.288 174.926 176.000 0.358 0.000 1.047 129 Q CA -0.833 55.119 55.803 0.248 0.000 0.783 129 Q CB 0.404 29.295 28.738 0.255 0.000 1.172 129 Q HN 0.588 nan 8.270 nan 0.000 0.515 130 H N 3.944 123.121 119.070 0.178 0.000 2.878 130 H HA 0.137 4.693 4.556 0.000 0.000 0.290 130 H C 0.159 175.301 175.328 -0.310 0.000 1.065 130 H CA 0.339 56.392 56.048 0.008 0.000 1.477 130 H CB 0.561 30.291 29.762 -0.053 0.000 1.484 130 H HN 0.715 nan 8.280 nan 0.000 0.504 131 L N 4.913 125.688 121.223 -0.747 0.000 2.616 131 L HA 0.142 4.482 4.340 -0.000 0.000 0.229 131 L C 0.028 176.361 176.870 -0.895 0.000 1.110 131 L CA -0.133 54.331 54.840 -0.627 0.000 0.884 131 L CB 0.251 42.083 42.059 -0.378 0.000 1.115 131 L HN 0.494 nan 8.230 nan 0.000 0.481 132 F N 1.041 120.024 119.950 -1.612 0.000 2.309 132 F HA 0.365 4.892 4.527 -0.000 0.000 0.366 132 F C -0.599 174.717 175.800 -0.807 0.000 1.104 132 F CA -0.879 56.415 58.000 -1.177 0.000 1.179 132 F CB 0.229 38.409 39.000 -1.366 0.000 1.437 132 F HN -0.174 nan 8.300 nan 0.000 0.528 133 F N 6.721 126.380 119.950 -0.485 0.000 2.389 133 F HA 0.369 4.896 4.527 -0.000 0.000 0.327 133 F C -2.243 173.299 175.800 -0.430 0.000 1.204 133 F CA -3.260 54.549 58.000 -0.317 0.000 1.209 133 F CB -0.128 38.831 39.000 -0.068 0.000 1.460 133 F HN 0.236 nan 8.300 nan 0.000 0.537 134 P HA 0.303 nan 4.420 nan 0.000 0.271 134 P C 0.459 177.340 177.300 -0.697 0.000 1.218 134 P CA 0.413 62.831 63.100 -1.137 0.000 0.780 134 P CB 1.320 31.668 31.700 -2.253 0.000 0.901 135 G N 1.488 109.964 108.800 -0.540 0.000 2.819 135 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.682 135 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.682 135 G C 0.901 175.717 174.900 -0.141 0.000 1.481 135 G CA -0.184 44.806 45.100 -0.184 0.000 0.904 135 G HN 0.566 nan 8.290 nan 0.000 0.563 136 A N -0.394 122.382 122.820 -0.074 0.000 2.019 136 A HA 0.332 4.652 4.320 -0.000 0.000 0.219 136 A C 1.634 179.173 177.584 -0.074 0.000 1.164 136 A CA 2.386 54.385 52.037 -0.063 0.000 0.644 136 A CB -0.164 18.812 19.000 -0.040 0.000 0.805 136 A HN 1.577 nan 8.150 nan 0.000 0.449 137 T N 1.415 115.928 114.554 -0.068 0.000 2.753 137 T HA 0.532 4.882 4.350 -0.000 0.000 0.297 137 T C 0.053 174.683 174.700 -0.116 0.000 0.981 137 T CA 0.148 62.188 62.100 -0.100 0.000 0.956 137 T CB 1.085 69.915 68.868 -0.063 0.000 0.936 137 T HN 0.468 nan 8.240 nan 0.000 0.463 138 A N 4.021 126.691 122.820 -0.249 0.000 2.505 138 A HA 0.196 4.516 4.320 -0.000 0.000 0.271 138 A C 0.876 178.355 177.584 -0.174 0.000 1.112 138 A CA -0.363 51.505 52.037 -0.281 0.000 0.781 138 A CB -0.155 18.200 19.000 -1.074 0.000 1.059 138 A HN 0.794 nan 8.150 nan 0.000 0.508 139 D N 1.764 122.209 120.400 0.076 0.000 2.113 139 D HA -0.017 4.623 4.640 -0.000 0.000 0.255 139 D C 1.464 177.742 176.300 -0.037 0.000 1.225 139 D CA 1.024 55.008 54.000 -0.026 0.000 0.972 139 D CB 0.366 41.096 40.800 -0.117 0.000 1.208 139 D HN 0.530 nan 8.370 nan 0.000 0.526 140 S N -0.432 115.200 115.700 -0.114 0.000 2.767 140 S HA 0.042 4.512 4.470 -0.000 0.000 0.253 140 S C 1.273 175.854 174.600 -0.033 0.000 1.082 140 S CA -0.340 57.847 58.200 -0.022 0.000 1.148 140 S CB -0.744 62.444 63.200 -0.020 0.000 0.808 140 S HN 0.365 nan 8.310 nan 0.000 0.466 141 Y N 1.620 121.982 120.300 0.104 0.000 2.145 141 Y HA -0.080 4.470 4.550 0.000 0.000 0.286 141 Y C 2.326 178.171 175.900 -0.091 0.000 1.145 141 Y CA 1.056 59.114 58.100 -0.071 0.000 1.148 141 Y CB -0.420 37.872 38.460 -0.280 0.000 0.981 141 Y HN 0.347 nan 8.280 nan 0.000 0.507 142 I N 0.229 120.955 120.570 0.260 0.000 2.286 142 I HA -0.260 3.909 4.170 -0.000 0.000 0.248 142 I C 1.502 177.667 176.117 0.080 0.000 1.115 142 I CA 1.610 63.034 61.300 0.206 0.000 1.392 142 I CB -1.377 36.799 38.000 0.294 0.000 1.065 142 I HN 0.263 nan 8.210 nan 0.000 0.418 143 D N 1.474 121.930 120.400 0.092 0.000 2.144 143 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 143 D C 2.317 178.610 176.300 -0.011 0.000 0.984 143 D CA 1.421 55.442 54.000 0.034 0.000 0.834 143 D CB -0.076 40.828 40.800 0.173 0.000 0.955 143 D HN 0.336 nan 8.370 nan 0.000 0.465 144 A N 0.677 123.500 122.820 0.004 0.000 1.858 144 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 144 A C 2.383 179.935 177.584 -0.053 0.000 1.190 144 A CA 2.514 54.541 52.037 -0.016 0.000 0.617 144 A CB -1.405 17.592 19.000 -0.004 0.000 0.827 144 A HN 0.381 nan 8.150 nan 0.000 0.443 145 T N -1.091 113.443 114.554 -0.034 0.000 2.746 145 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 145 T C 1.823 176.307 174.700 -0.360 0.000 1.039 145 T CA 1.565 63.602 62.100 -0.106 0.000 1.142 145 T CB -0.690 68.247 68.868 0.116 0.000 0.866 145 T HN 0.357 nan 8.240 nan 0.000 0.444 146 I N 1.450 121.884 120.570 -0.228 0.000 2.286 146 I HA -0.128 4.042 4.170 -0.000 0.000 0.248 146 I C 2.894 178.860 176.117 -0.251 0.000 1.115 146 I CA 1.836 62.957 61.300 -0.298 0.000 1.392 146 I CB -0.498 37.278 38.000 -0.374 0.000 1.065 146 I HN 0.450 nan 8.210 nan 0.000 0.418 147 E N 1.456 121.561 120.200 -0.160 0.000 2.047 147 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 147 E C 2.330 178.862 176.600 -0.114 0.000 0.987 147 E CA 1.202 57.551 56.400 -0.086 0.000 0.799 147 E CB -0.004 29.677 29.700 -0.032 0.000 0.752 147 E HN 0.432 nan 8.360 nan 0.000 0.449 148 A N 1.466 124.197 122.820 -0.148 0.000 1.873 148 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 148 A C 2.452 179.923 177.584 -0.189 0.000 1.193 148 A CA 2.275 54.225 52.037 -0.145 0.000 0.629 148 A CB -1.065 17.849 19.000 -0.143 0.000 0.826 148 A HN 0.442 nan 8.150 nan 0.000 0.447 149 A N -0.526 122.088 122.820 -0.344 0.000 1.902 149 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 149 A C 2.449 179.941 177.584 -0.154 0.000 1.181 149 A CA 2.696 54.525 52.037 -0.347 0.000 0.623 149 A CB -1.438 17.110 19.000 -0.754 0.000 0.818 149 A HN 0.811 nan 8.150 nan 0.000 0.443 150 T N -2.361 112.121 114.554 -0.121 0.000 2.857 150 T HA -0.121 4.228 4.350 -0.000 0.000 0.266 150 T C 1.343 176.025 174.700 -0.030 0.000 1.048 150 T CA 1.390 63.467 62.100 -0.040 0.000 1.139 150 T CB -0.471 68.393 68.868 -0.006 0.000 0.874 150 T HN 0.337 nan 8.240 nan 0.000 0.455 151 D N 1.468 121.842 120.400 -0.043 0.000 2.149 151 D HA 0.006 4.646 4.640 -0.000 0.000 0.198 151 D C 1.977 178.260 176.300 -0.028 0.000 0.990 151 D CA 0.808 54.790 54.000 -0.030 0.000 0.839 151 D CB -0.247 40.533 40.800 -0.033 0.000 0.948 151 D HN 0.392 nan 8.370 nan 0.000 0.460 152 L N -1.004 120.195 121.223 -0.040 0.000 2.307 152 L HA 0.142 4.482 4.340 -0.000 0.000 0.211 152 L C 1.607 178.466 176.870 -0.019 0.000 1.099 152 L CA 0.640 55.462 54.840 -0.030 0.000 0.816 152 L CB 0.005 42.041 42.059 -0.038 0.000 0.952 152 L HN 0.159 nan 8.230 nan 0.000 0.455 153 G N 0.922 109.713 108.800 -0.014 0.000 2.141 153 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.242 153 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.242 153 G C 0.129 175.038 174.900 0.015 0.000 0.982 153 G CA 0.075 45.175 45.100 0.001 0.000 0.662 153 G HN 0.280 nan 8.290 nan 0.000 0.527 154 I N 0.562 121.144 120.570 0.019 0.000 2.472 154 I HA 0.502 4.671 4.170 -0.000 0.000 0.290 154 I C 1.052 177.235 176.117 0.110 0.000 1.016 154 I CA -1.119 60.214 61.300 0.054 0.000 1.348 154 I CB 0.569 38.602 38.000 0.056 0.000 1.417 154 I HN 0.199 nan 8.210 nan 0.000 0.521 155 R N 5.892 126.470 120.500 0.130 0.000 2.491 155 R HA 0.235 4.575 4.340 -0.000 0.000 0.283 155 R C -1.622 174.858 176.300 0.299 0.000 1.072 155 R CA 0.050 56.258 56.100 0.179 0.000 1.048 155 R CB 0.558 30.940 30.300 0.138 0.000 0.983 155 R HN 0.527 nan 8.270 nan 0.000 0.450 156 F N 3.764 123.791 119.950 0.129 0.000 2.573 156 F HA 0.326 4.853 4.527 -0.000 0.000 0.316 156 F C -1.137 174.790 175.800 0.211 0.000 1.148 156 F CA -0.587 57.495 58.000 0.137 0.000 0.940 156 F CB 1.464 40.499 39.000 0.059 0.000 1.214 156 F HN 0.540 nan 8.300 nan 0.000 0.448 157 H N 4.364 123.108 119.070 -0.543 0.000 2.481 157 H HA 0.712 5.268 4.556 -0.000 0.000 0.333 157 H C -0.833 174.058 175.328 -0.728 0.000 1.066 157 H CA -0.984 54.800 56.048 -0.441 0.000 1.209 157 H CB 1.832 31.465 29.762 -0.214 0.000 1.445 157 H HN 0.717 nan 8.280 nan 0.000 0.488 158 A N 2.960 125.556 122.820 -0.373 0.000 2.273 158 A HA 0.559 4.879 4.320 -0.000 0.000 0.320 158 A C 0.005 177.584 177.584 -0.007 0.000 1.358 158 A CA -0.634 51.276 52.037 -0.212 0.000 0.910 158 A CB 0.267 19.248 19.000 -0.031 0.000 1.159 158 A HN 0.758 nan 8.150 nan 0.000 0.526 159 A N 3.637 126.500 122.820 0.071 0.000 2.391 159 A HA 0.479 4.799 4.320 -0.000 0.000 0.316 159 A C 0.589 178.260 177.584 0.145 0.000 1.381 159 A CA -0.621 51.487 52.037 0.118 0.000 0.998 159 A CB -0.048 19.069 19.000 0.196 0.000 1.147 159 A HN 0.720 nan 8.150 nan 0.000 0.545 160 R N 2.414 122.975 120.500 0.102 0.000 2.446 160 R HA 0.118 4.458 4.340 -0.000 0.000 0.325 160 R C 0.123 176.587 176.300 0.272 0.000 0.997 160 R CA 0.565 56.789 56.100 0.207 0.000 1.010 160 R CB 0.148 30.497 30.300 0.082 0.000 0.946 160 R HN 0.692 nan 8.270 nan 0.000 0.422 161 S N 1.737 117.679 115.700 0.404 0.000 2.738 161 S HA 0.706 5.176 4.470 -0.000 0.000 0.284 161 S C -0.690 174.158 174.600 0.414 0.000 1.146 161 S CA -0.019 58.377 58.200 0.327 0.000 0.997 161 S CB 0.875 64.198 63.200 0.206 0.000 1.081 161 S HN 0.792 nan 8.310 nan 0.000 0.553 162 S N 0.388 116.244 115.700 0.260 0.000 2.655 162 S HA 0.586 5.056 4.470 -0.000 0.000 0.266 162 S C -1.384 173.289 174.600 0.122 0.000 1.149 162 S CA -0.899 57.440 58.200 0.232 0.000 0.818 162 S CB 0.836 64.149 63.200 0.188 0.000 1.130 162 S HN 0.607 nan 8.310 nan 0.000 0.476 163 M N 1.971 121.642 119.600 0.118 0.000 2.769 163 M HA 0.214 4.694 4.480 -0.000 0.000 0.309 163 M C 0.356 176.723 176.300 0.110 0.000 1.427 163 M CA -0.231 55.137 55.300 0.112 0.000 0.657 163 M CB 1.431 34.084 32.600 0.089 0.000 1.947 163 M HN 0.969 nan 8.290 nan 0.000 0.396 164 T N -1.438 113.162 114.554 0.076 0.000 3.148 164 T HA 0.144 4.494 4.350 -0.000 0.000 0.253 164 T C 0.333 175.066 174.700 0.055 0.000 1.134 164 T CA 0.117 62.242 62.100 0.042 0.000 1.051 164 T CB 0.116 68.975 68.868 -0.016 0.000 0.959 164 T HN 0.376 nan 8.240 nan 0.000 0.525 165 L N 2.393 123.671 121.223 0.091 0.000 2.356 165 L HA 0.731 5.071 4.340 -0.000 0.000 0.264 165 L C 0.251 177.163 176.870 0.070 0.000 1.029 165 L CA -0.976 53.911 54.840 0.078 0.000 0.897 165 L CB 0.423 42.543 42.059 0.102 0.000 1.256 165 L HN 0.179 nan 8.230 nan 0.000 0.444 166 G N 2.892 111.717 108.800 0.041 0.000 2.503 166 G HA2 0.244 4.204 3.960 -0.000 0.000 0.257 166 G HA3 0.244 4.204 3.960 -0.000 0.000 0.257 166 G C 0.519 175.410 174.900 -0.015 0.000 1.214 166 G CA -0.335 44.787 45.100 0.037 0.000 0.839 166 G HN 0.808 nan 8.290 nan 0.000 0.559 167 K N -0.214 120.179 120.400 -0.011 0.000 2.360 167 K HA -0.106 4.214 4.320 -0.000 0.000 0.201 167 K C 1.953 178.515 176.600 -0.064 0.000 1.046 167 K CA 1.432 57.677 56.287 -0.070 0.000 0.945 167 K CB -0.115 32.368 32.500 -0.028 0.000 0.750 167 K HN 0.414 nan 8.250 nan 0.000 0.464 168 S N 1.496 117.176 115.700 -0.034 0.000 2.723 168 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 168 S C 0.349 174.924 174.600 -0.042 0.000 0.967 168 S CA 0.551 58.733 58.200 -0.031 0.000 0.958 168 S CB -0.664 62.526 63.200 -0.017 0.000 0.778 168 S HN 0.665 nan 8.310 nan 0.000 0.537 169 E N -1.915 118.247 120.200 -0.064 0.000 3.850 169 E HA 0.410 4.760 4.350 -0.000 0.000 0.168 169 E C 0.623 177.153 176.600 -0.116 0.000 1.035 169 E CA -0.291 56.067 56.400 -0.071 0.000 1.528 169 E CB -0.251 29.421 29.700 -0.046 0.000 1.154 169 E HN 0.380 nan 8.360 nan 0.000 0.383 170 G N -0.164 108.539 108.800 -0.161 0.000 2.175 170 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 170 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 170 G C 0.629 175.271 174.900 -0.430 0.000 0.982 170 G CA -0.158 44.793 45.100 -0.247 0.000 0.641 170 G HN 0.770 nan 8.290 nan 0.000 0.527 171 G N -1.043 107.549 108.800 -0.347 0.000 2.535 171 G HA2 0.563 4.523 3.960 -0.000 0.000 0.282 171 G HA3 0.563 4.523 3.960 -0.000 0.000 0.282 171 G C 0.279 174.833 174.900 -0.577 0.000 1.350 171 G CA -0.291 44.573 45.100 -0.394 0.000 1.039 171 G HN 0.330 nan 8.290 nan 0.000 0.509 172 F N -1.172 118.804 119.950 0.043 0.000 2.729 172 F HA 0.282 4.808 4.527 -0.001 0.000 0.315 172 F C 0.756 176.642 175.800 0.143 0.000 1.102 172 F CA -0.951 57.093 58.000 0.073 0.000 1.204 172 F CB 0.164 39.191 39.000 0.046 0.000 1.052 172 F HN 0.143 nan 8.300 nan 0.000 0.551 173 C N 0.973 120.432 119.300 0.266 0.000 2.350 173 C HA 0.384 4.844 4.460 -0.000 0.000 0.348 173 C C 0.301 175.403 174.990 0.187 0.000 1.260 173 C CA -1.130 58.031 59.018 0.239 0.000 1.966 173 C CB 0.159 28.035 27.740 0.226 0.000 2.380 173 C HN 0.251 nan 8.230 nan 0.000 0.535 174 D N 1.472 122.014 120.400 0.237 0.000 2.414 174 D HA 0.118 4.758 4.640 -0.000 0.000 0.242 174 D C 0.474 176.851 176.300 0.129 0.000 1.129 174 D CA 0.242 54.352 54.000 0.183 0.000 0.885 174 D CB 0.535 41.468 40.800 0.222 0.000 1.198 174 D HN 0.501 nan 8.370 nan 0.000 0.437 175 D N 1.065 121.483 120.400 0.029 0.000 2.392 175 D HA -0.091 4.549 4.640 -0.000 0.000 0.228 175 D C 1.630 177.869 176.300 -0.100 0.000 1.003 175 D CA 0.109 54.102 54.000 -0.011 0.000 0.917 175 D CB 0.119 40.909 40.800 -0.017 0.000 0.890 175 D HN 0.291 nan 8.370 nan 0.000 0.532 176 L N -0.620 120.456 121.223 -0.245 0.000 2.217 176 L HA -0.049 4.291 4.340 -0.000 0.000 0.211 176 L C 0.655 177.139 176.870 -0.644 0.000 1.107 176 L CA 1.377 55.906 54.840 -0.518 0.000 0.783 176 L CB -0.237 41.344 42.059 -0.795 0.000 0.919 176 L HN 0.020 nan 8.230 nan 0.000 0.442 177 F N -1.278 118.602 119.950 -0.118 0.000 2.678 177 F HA 0.182 4.709 4.527 -0.000 0.000 0.305 177 F C 0.864 176.632 175.800 -0.052 0.000 1.090 177 F CA -0.388 57.536 58.000 -0.127 0.000 1.272 177 F CB 0.034 38.951 39.000 -0.137 0.000 1.060 177 F HN -0.321 nan 8.300 nan 0.000 0.576 178 V N 2.307 122.276 119.914 0.091 0.000 2.372 178 V HA 0.123 4.242 4.120 -0.000 0.000 0.261 178 V C -0.013 176.097 176.094 0.026 0.000 1.055 178 V CA -0.606 61.737 62.300 0.072 0.000 0.930 178 V CB 0.072 31.929 31.823 0.057 0.000 1.031 178 V HN 0.197 nan 8.190 nan 0.000 0.479 179 E N 6.415 126.632 120.200 0.028 0.000 2.248 179 E HA 0.430 4.780 4.350 -0.000 0.000 0.272 179 E C -2.539 174.057 176.600 -0.006 0.000 1.008 179 E CA -2.046 54.353 56.400 -0.003 0.000 0.856 179 E CB 1.010 30.701 29.700 -0.016 0.000 1.120 179 E HN 0.436 nan 8.360 nan 0.000 0.397 180 P HA -0.063 nan 4.420 nan 0.000 0.268 180 P C 0.682 177.967 177.300 -0.025 0.000 1.205 180 P CA -0.050 63.040 63.100 -0.017 0.000 0.771 180 P CB 0.667 32.358 31.700 -0.016 0.000 0.858 181 V N 2.101 121.993 119.914 -0.038 0.000 2.282 181 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 181 V C 1.785 177.851 176.094 -0.048 0.000 1.057 181 V CA 2.125 64.384 62.300 -0.069 0.000 1.032 181 V CB -0.866 30.906 31.823 -0.085 0.000 0.645 181 V HN 0.613 nan 8.190 nan 0.000 0.447 182 D N -0.771 119.614 120.400 -0.025 0.000 2.178 182 D HA -0.175 4.465 4.640 -0.000 0.000 0.201 182 D C 2.315 178.619 176.300 0.007 0.000 0.980 182 D CA 1.222 55.219 54.000 -0.005 0.000 0.842 182 D CB -0.192 40.608 40.800 -0.001 0.000 0.948 182 D HN 0.405 nan 8.370 nan 0.000 0.472 183 R N 0.557 121.056 120.500 -0.002 0.000 2.092 183 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 183 R C 2.089 178.404 176.300 0.025 0.000 1.119 183 R CA 0.780 56.880 56.100 0.000 0.000 0.970 183 R CB -0.032 30.253 30.300 -0.024 0.000 0.864 183 R HN -0.020 nan 8.270 nan 0.000 0.440 184 V N 0.314 120.244 119.914 0.026 0.000 2.307 184 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 184 V C 2.366 178.549 176.094 0.148 0.000 1.045 184 V CA 1.554 63.904 62.300 0.083 0.000 1.024 184 V CB -0.262 31.596 31.823 0.059 0.000 0.651 184 V HN 0.176 nan 8.190 nan 0.000 0.449 185 V N -0.409 119.569 119.914 0.107 0.000 2.407 185 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 185 V C 2.453 178.605 176.094 0.098 0.000 1.055 185 V CA 2.082 64.472 62.300 0.150 0.000 1.049 185 V CB -0.704 31.172 31.823 0.090 0.000 0.662 185 V HN 0.577 nan 8.190 nan 0.000 0.455 186 Q N -1.181 118.664 119.800 0.074 0.000 2.079 186 Q HA -0.189 4.151 4.340 -0.000 0.000 0.200 186 Q C 2.299 178.348 176.000 0.081 0.000 0.974 186 Q CA 1.637 57.475 55.803 0.058 0.000 0.840 186 Q CB -0.280 28.485 28.738 0.044 0.000 0.898 186 Q HN 0.768 nan 8.270 nan 0.000 0.430 187 H N -0.569 118.492 119.070 -0.015 0.000 2.352 187 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 187 H C 1.827 177.147 175.328 -0.014 0.000 1.097 187 H CA 1.342 57.372 56.048 -0.029 0.000 1.311 187 H CB 0.204 29.920 29.762 -0.077 0.000 1.377 187 H HN 0.349 nan 8.280 nan 0.000 0.504 188 C N 0.717 119.970 119.300 -0.079 0.000 2.429 188 C HA -0.128 4.332 4.460 -0.000 0.000 0.277 188 C C 3.017 177.893 174.990 -0.190 0.000 1.262 188 C CA 0.617 59.536 59.018 -0.164 0.000 1.733 188 C CB -1.049 26.651 27.740 -0.067 0.000 2.010 188 C HN 0.519 nan 8.230 nan 0.000 0.483 189 L N 0.843 121.982 121.223 -0.140 0.000 2.083 189 L HA -0.066 4.273 4.340 -0.000 0.000 0.209 189 L C 2.798 179.569 176.870 -0.165 0.000 1.083 189 L CA 1.747 56.461 54.840 -0.210 0.000 0.752 189 L CB -1.088 40.901 42.059 -0.117 0.000 0.899 189 L HN 0.520 nan 8.230 nan 0.000 0.433 190 G N -0.082 108.664 108.800 -0.090 0.000 2.402 190 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 190 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 190 G C 1.634 176.489 174.900 -0.075 0.000 1.162 190 G CA 0.389 45.455 45.100 -0.056 0.000 0.777 190 G HN 0.186 nan 8.290 nan 0.000 0.539 191 L N 0.205 121.367 121.223 -0.103 0.000 1.989 191 L HA -0.107 4.233 4.340 -0.000 0.000 0.211 191 L C 2.910 179.797 176.870 0.028 0.000 1.071 191 L CA 1.035 55.877 54.840 0.003 0.000 0.749 191 L CB -0.424 41.577 42.059 -0.097 0.000 0.890 191 L HN 0.205 nan 8.230 nan 0.000 0.431 192 I N -0.226 120.286 120.570 -0.097 0.000 2.194 192 I HA -0.343 3.827 4.170 -0.000 0.000 0.246 192 I C 2.272 178.373 176.117 -0.025 0.000 1.093 192 I CA 1.557 62.792 61.300 -0.108 0.000 1.355 192 I CB -0.425 37.358 38.000 -0.363 0.000 1.046 192 I HN 0.358 nan 8.210 nan 0.000 0.413 193 D N 0.540 120.896 120.400 -0.073 0.000 2.097 193 D HA -0.252 4.387 4.640 -0.000 0.000 0.195 193 D C 2.179 178.437 176.300 -0.071 0.000 0.989 193 D CA 1.478 55.453 54.000 -0.042 0.000 0.827 193 D CB -0.053 40.718 40.800 -0.048 0.000 0.966 193 D HN 0.315 nan 8.370 nan 0.000 0.456 194 Q N -1.920 117.783 119.800 -0.162 0.000 2.123 194 Q HA -0.139 4.201 4.340 -0.000 0.000 0.199 194 Q C 1.150 176.918 176.000 -0.387 0.000 0.966 194 Q CA 1.162 56.744 55.803 -0.368 0.000 0.845 194 Q CB 0.064 28.404 28.738 -0.663 0.000 0.907 194 Q HN 0.372 nan 8.270 nan 0.000 0.439 195 Y N -2.046 118.276 120.300 0.036 0.000 2.526 195 Y HA 0.184 4.734 4.550 -0.000 0.000 0.265 195 Y C 0.156 176.096 175.900 0.066 0.000 1.092 195 Y CA -0.380 57.751 58.100 0.051 0.000 1.277 195 Y CB 0.101 38.596 38.460 0.058 0.000 1.228 195 Y HN 0.106 nan 8.280 nan 0.000 0.507 196 H N 2.435 121.569 119.070 0.106 0.000 2.929 196 H HA 0.145 4.700 4.556 -0.000 0.000 0.317 196 H C -0.498 174.850 175.328 0.032 0.000 1.031 196 H CA 0.310 56.382 56.048 0.040 0.000 1.466 196 H CB 0.342 30.106 29.762 0.004 0.000 1.482 196 H HN 0.220 nan 8.280 nan 0.000 0.561 197 E N 7.763 127.740 120.200 -0.373 0.000 2.267 197 E HA 0.121 4.471 4.350 -0.000 0.000 0.241 197 E C -1.895 174.459 176.600 -0.410 0.000 0.950 197 E CA -1.748 54.489 56.400 -0.271 0.000 0.776 197 E CB 1.200 30.833 29.700 -0.112 0.000 1.207 197 E HN 0.645 nan 8.360 nan 0.000 0.436 198 P HA -0.143 nan 4.420 nan 0.000 0.233 198 P C 0.165 177.386 177.300 -0.132 0.000 1.167 198 P CA 0.678 63.625 63.100 -0.255 0.000 0.770 198 P CB 0.211 31.893 31.700 -0.030 0.000 0.837 199 E N 1.460 121.592 120.200 -0.114 0.000 2.408 199 E HA 0.148 4.498 4.350 -0.000 0.000 0.259 199 E C -2.428 174.080 176.600 -0.154 0.000 1.110 199 E CA -2.346 53.992 56.400 -0.103 0.000 0.929 199 E CB -0.960 28.702 29.700 -0.064 0.000 0.971 199 E HN 0.064 nan 8.360 nan 0.000 0.438 200 P HA -0.051 nan 4.420 nan 0.000 0.265 200 P C -0.573 176.427 177.300 -0.501 0.000 1.193 200 P CA 0.128 62.913 63.100 -0.525 0.000 0.765 200 P CB -0.125 31.094 31.700 -0.802 0.000 0.823 201 F N -0.549 119.398 119.950 -0.005 0.000 2.699 201 F HA -0.166 4.361 4.527 -0.000 0.000 0.343 201 F C 1.259 177.057 175.800 -0.004 0.000 0.633 201 F CA 0.727 58.727 58.000 0.000 0.000 1.365 201 F CB -2.671 36.329 39.000 0.001 0.000 1.795 201 F HN 0.428 nan 8.300 nan 0.000 0.304 202 G N 0.809 109.657 108.800 0.080 0.000 2.321 202 G HA2 0.269 4.229 3.960 -0.000 0.000 0.237 202 G HA3 0.269 4.229 3.960 -0.000 0.000 0.237 202 G C 0.929 175.861 174.900 0.053 0.000 1.282 202 G CA -0.104 45.009 45.100 0.022 0.000 0.886 202 G HN 0.176 nan 8.290 nan 0.000 0.528 203 M N 1.214 120.846 119.600 0.054 0.000 2.492 203 M HA 0.147 4.626 4.480 -0.000 0.000 0.255 203 M C 0.220 176.576 176.300 0.094 0.000 1.139 203 M CA 0.625 55.976 55.300 0.085 0.000 1.096 203 M CB 0.499 33.147 32.600 0.081 0.000 1.360 203 M HN 0.191 nan 8.290 nan 0.000 0.480 204 V N 1.222 121.161 119.914 0.041 0.000 2.577 204 V HA 0.465 4.585 4.120 -0.000 0.000 0.303 204 V C -0.379 175.657 176.094 -0.096 0.000 1.042 204 V CA -0.819 61.508 62.300 0.045 0.000 0.872 204 V CB 2.702 34.596 31.823 0.118 0.000 0.998 204 V HN 0.236 nan 8.190 nan 0.000 0.423 205 R N 4.207 124.562 120.500 -0.242 0.000 2.795 205 R HA 0.687 5.027 4.340 -0.000 0.000 0.275 205 R C -1.542 174.698 176.300 -0.099 0.000 0.981 205 R CA -0.953 54.998 56.100 -0.248 0.000 0.917 205 R CB 2.627 32.530 30.300 -0.661 0.000 1.202 205 R HN 0.445 nan 8.270 nan 0.000 0.469 206 I N 1.423 122.086 120.570 0.156 0.000 2.412 206 I HA 0.536 4.706 4.170 -0.000 0.000 0.296 206 I C 0.157 176.243 176.117 -0.052 0.000 0.987 206 I CA -0.523 60.771 61.300 -0.011 0.000 1.180 206 I CB 1.429 39.386 38.000 -0.072 0.000 1.340 206 I HN 0.715 nan 8.210 nan 0.000 0.455 207 A N 6.842 129.658 122.820 -0.007 0.000 2.435 207 A HA 0.917 5.237 4.320 -0.000 0.000 0.296 207 A C -1.027 176.487 177.584 -0.117 0.000 1.147 207 A CA -0.643 51.407 52.037 0.020 0.000 0.775 207 A CB 1.683 20.846 19.000 0.271 0.000 1.340 207 A HN 0.630 nan 8.150 nan 0.000 0.427 208 L N 0.936 122.022 121.223 -0.229 0.000 2.319 208 L HA 0.643 4.983 4.340 -0.000 0.000 0.281 208 L C 0.346 177.080 176.870 -0.226 0.000 1.005 208 L CA -0.371 54.133 54.840 -0.561 0.000 0.828 208 L CB 1.865 43.236 42.059 -1.147 0.000 1.227 208 L HN 0.834 nan 8.230 nan 0.000 0.415 209 G N 3.337 112.109 108.800 -0.047 0.000 3.712 209 G HA2 0.489 4.449 3.960 -0.000 0.000 0.327 209 G HA3 0.489 4.449 3.960 -0.000 0.000 0.327 209 G C -2.824 172.165 174.900 0.149 0.000 1.566 209 G CA -1.119 44.042 45.100 0.102 0.000 0.953 209 G HN 0.239 nan 8.290 nan 0.000 0.488 210 P HA -0.004 nan 4.420 nan 0.000 0.266 210 P C 1.336 178.669 177.300 0.056 0.000 1.186 210 P CA -0.417 62.679 63.100 -0.006 0.000 0.767 210 P CB 1.135 32.502 31.700 -0.554 0.000 0.820 211 C N 2.185 121.552 119.300 0.112 0.000 2.413 211 C HA 0.142 4.602 4.460 -0.000 0.000 0.276 211 C C 1.218 176.419 174.990 0.353 0.000 1.236 211 C CA 2.019 61.146 59.018 0.182 0.000 1.735 211 C CB -1.756 25.978 27.740 -0.011 0.000 2.031 211 C HN 0.785 nan 8.230 nan 0.000 0.474 212 G N -2.640 106.384 108.800 0.373 0.000 2.321 212 G HA2 0.289 4.249 3.960 -0.000 0.000 0.298 212 G HA3 0.289 4.249 3.960 -0.000 0.000 0.298 212 G C 0.063 175.147 174.900 0.308 0.000 1.385 212 G CA 0.105 45.446 45.100 0.401 0.000 0.856 212 G HN 0.120 nan 8.290 nan 0.000 0.584 213 V N 0.673 120.596 119.914 0.016 0.000 2.392 213 V HA -0.071 4.049 4.120 -0.000 0.000 0.249 213 V C -0.197 175.703 176.094 -0.323 0.000 1.059 213 V CA 2.632 64.688 62.300 -0.406 0.000 1.051 213 V CB -0.856 30.547 31.823 -0.699 0.000 0.658 213 V HN 0.582 nan 8.190 nan 0.000 0.455 214 P HA -0.003 nan 4.420 nan 0.000 0.245 214 P C 0.372 177.429 177.300 -0.404 0.000 1.212 214 P CA 1.074 63.886 63.100 -0.480 0.000 0.774 214 P CB -0.071 31.057 31.700 -0.953 0.000 0.999 215 Y N -2.221 118.159 120.300 0.134 0.000 2.432 215 Y HA 0.291 4.841 4.550 -0.000 0.000 0.252 215 Y C 0.580 176.546 175.900 0.110 0.000 1.097 215 Y CA -0.461 57.719 58.100 0.134 0.000 1.250 215 Y CB 0.485 38.995 38.460 0.082 0.000 1.245 215 Y HN -0.139 nan 8.280 nan 0.000 0.522 216 D N 0.498 121.047 120.400 0.249 0.000 2.527 216 D HA 0.267 4.907 4.640 -0.000 0.000 0.233 216 D C -0.783 175.665 176.300 0.247 0.000 1.063 216 D CA -0.683 53.426 54.000 0.182 0.000 0.880 216 D CB 2.254 43.069 40.800 0.025 0.000 1.457 216 D HN -0.032 nan 8.370 nan 0.000 0.475 217 K N 1.275 121.763 120.400 0.147 0.000 2.295 217 K HA 0.165 4.485 4.320 -0.000 0.000 0.270 217 K C -1.625 175.076 176.600 0.168 0.000 1.011 217 K CA -1.313 55.063 56.287 0.150 0.000 0.953 217 K CB 0.941 33.470 32.500 0.049 0.000 0.956 217 K HN 0.029 nan 8.250 nan 0.000 0.477 218 P HA -0.187 nan 4.420 nan 0.000 0.217 218 P C 0.286 177.417 177.300 -0.282 0.000 1.148 218 P CA 1.330 64.144 63.100 -0.477 0.000 0.828 218 P CB 0.280 31.386 31.700 -0.991 0.000 0.783 219 E N -0.951 119.169 120.200 -0.134 0.000 2.106 219 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 219 E C 1.824 178.358 176.600 -0.111 0.000 0.984 219 E CA 0.589 56.937 56.400 -0.087 0.000 0.806 219 E CB -1.052 28.613 29.700 -0.059 0.000 0.750 219 E HN 0.129 nan 8.360 nan 0.000 0.458 220 L N -0.229 120.888 121.223 -0.175 0.000 2.017 220 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 220 L C 1.775 178.383 176.870 -0.436 0.000 1.073 220 L CA 1.681 56.262 54.840 -0.432 0.000 0.745 220 L CB -0.516 41.225 42.059 -0.531 0.000 0.894 220 L HN 0.062 nan 8.230 nan 0.000 0.432 221 F N 0.478 120.296 119.950 -0.220 0.000 2.095 221 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 221 F C 2.518 178.478 175.800 0.267 0.000 1.104 221 F CA 2.052 60.040 58.000 -0.020 0.000 1.232 221 F CB -0.582 38.228 39.000 -0.315 0.000 0.987 221 F HN 0.202 nan 8.300 nan 0.000 0.475 222 E N -0.052 120.304 120.200 0.260 0.000 2.110 222 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 222 E C 2.413 179.124 176.600 0.184 0.000 0.988 222 E CA 0.943 57.477 56.400 0.224 0.000 0.804 222 E CB -0.397 29.378 29.700 0.125 0.000 0.745 222 E HN 0.398 nan 8.360 nan 0.000 0.458 223 A N 1.122 123.995 122.820 0.088 0.000 1.908 223 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 223 A C 1.872 179.610 177.584 0.257 0.000 1.181 223 A CA 1.186 53.273 52.037 0.083 0.000 0.627 223 A CB -0.561 18.407 19.000 -0.053 0.000 0.818 223 A HN 0.137 nan 8.150 nan 0.000 0.445 224 F N 0.012 120.069 119.950 0.178 0.000 2.113 224 F HA -0.010 4.517 4.527 -0.000 0.000 0.297 224 F C 2.889 178.765 175.800 0.127 0.000 1.103 224 F CA 0.195 58.306 58.000 0.184 0.000 1.248 224 F CB -1.330 37.862 39.000 0.320 0.000 0.999 224 F HN 0.283 nan 8.300 nan 0.000 0.475 225 A N -0.452 122.605 122.820 0.394 0.000 1.917 225 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 225 A C 2.282 179.929 177.584 0.104 0.000 1.182 225 A CA 1.837 53.956 52.037 0.137 0.000 0.633 225 A CB -0.764 18.354 19.000 0.196 0.000 0.819 225 A HN 0.335 nan 8.150 nan 0.000 0.448 226 Q N -0.734 119.157 119.800 0.151 0.000 2.046 226 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 226 Q C 2.233 178.309 176.000 0.127 0.000 0.975 226 Q CA 1.661 57.532 55.803 0.114 0.000 0.836 226 Q CB -0.323 28.482 28.738 0.112 0.000 0.896 226 Q HN 0.775 nan 8.270 nan 0.000 0.428 227 M N -0.393 119.317 119.600 0.184 0.000 2.106 227 M HA -0.215 4.265 4.480 -0.000 0.000 0.259 227 M C 2.231 178.632 176.300 0.169 0.000 1.068 227 M CA 1.696 57.129 55.300 0.222 0.000 1.100 227 M CB -0.484 32.230 32.600 0.190 0.000 1.351 227 M HN 0.167 nan 8.290 nan 0.000 0.404 228 A N 0.409 123.270 122.820 0.069 0.000 1.908 228 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 228 A C 2.373 179.969 177.584 0.019 0.000 1.181 228 A CA 2.111 54.148 52.037 0.001 0.000 0.627 228 A CB -0.947 17.999 19.000 -0.089 0.000 0.818 228 A HN 0.525 nan 8.150 nan 0.000 0.445 229 A N -0.029 122.802 122.820 0.017 0.000 1.858 229 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 229 A C 1.805 179.377 177.584 -0.019 0.000 1.190 229 A CA 1.946 53.982 52.037 -0.001 0.000 0.617 229 A CB -0.715 18.285 19.000 -0.000 0.000 0.827 229 A HN 0.442 nan 8.150 nan 0.000 0.443 230 D N -1.531 118.860 120.400 -0.014 0.000 2.123 230 D HA -0.151 4.488 4.640 -0.000 0.000 0.196 230 D C 1.079 177.181 176.300 -0.331 0.000 0.992 230 D CA 1.578 55.476 54.000 -0.170 0.000 0.833 230 D CB -0.256 40.454 40.800 -0.150 0.000 0.954 230 D HN 0.666 nan 8.370 nan 0.000 0.455 231 Y N -0.652 119.627 120.300 -0.036 0.000 2.481 231 Y HA 0.131 4.680 4.550 -0.000 0.000 0.247 231 Y C 0.048 175.919 175.900 -0.048 0.000 1.151 231 Y CA -0.438 57.630 58.100 -0.053 0.000 1.238 231 Y CB 0.615 39.012 38.460 -0.106 0.000 1.179 231 Y HN -0.223 nan 8.280 nan 0.000 0.524 232 D N 1.104 121.544 120.400 0.067 0.000 2.697 232 D HA -0.147 4.493 4.640 -0.000 0.000 0.238 232 D C -0.561 175.774 176.300 0.058 0.000 1.152 232 D CA 0.891 54.920 54.000 0.048 0.000 0.666 232 D CB -0.893 39.936 40.800 0.049 0.000 1.037 232 D HN 0.201 nan 8.370 nan 0.000 0.423 233 V N -2.272 117.648 119.914 0.009 0.000 3.166 233 V HA 0.802 4.921 4.120 -0.000 0.000 0.317 233 V C 0.651 176.740 176.094 -0.008 0.000 1.136 233 V CA -0.940 61.345 62.300 -0.026 0.000 1.035 233 V CB 1.934 33.650 31.823 -0.177 0.000 1.110 233 V HN 0.138 nan 8.190 nan 0.000 0.450 234 R N 0.394 120.922 120.500 0.047 0.000 2.828 234 R HA 0.783 5.123 4.340 -0.000 0.000 0.264 234 R C -1.282 175.033 176.300 0.025 0.000 1.022 234 R CA -0.843 55.316 56.100 0.098 0.000 1.021 234 R CB 1.813 32.282 30.300 0.282 0.000 1.163 234 R HN 0.668 nan 8.270 nan 0.000 0.494 235 L N 1.198 122.358 121.223 -0.104 0.000 2.329 235 L HA 0.462 4.802 4.340 -0.000 0.000 0.279 235 L C -0.624 176.125 176.870 -0.202 0.000 1.014 235 L CA -0.810 53.800 54.840 -0.383 0.000 0.814 235 L CB 1.433 42.713 42.059 -1.298 0.000 1.257 235 L HN 0.538 nan 8.230 nan 0.000 0.424 236 H N 1.097 120.038 119.070 -0.215 0.000 2.865 236 H HA 0.699 5.255 4.556 -0.000 0.000 0.362 236 H C -1.212 174.076 175.328 -0.067 0.000 1.114 236 H CA -0.289 55.415 56.048 -0.574 0.000 1.208 236 H CB 2.261 31.173 29.762 -1.417 0.000 1.727 236 H HN 0.599 nan 8.280 nan 0.000 0.534 237 T N 2.511 116.745 114.554 -0.534 0.000 2.718 237 T HA 0.296 4.646 4.350 -0.000 0.000 0.306 237 T C -1.266 173.186 174.700 -0.413 0.000 1.485 237 T CA -0.715 61.139 62.100 -0.411 0.000 0.997 237 T CB 0.492 69.339 68.868 -0.036 0.000 1.504 237 T HN 0.731 nan 8.240 nan 0.000 0.497 238 H N 0.392 119.434 119.070 -0.048 0.000 2.615 238 H HA 0.615 5.171 4.556 -0.000 0.000 0.363 238 H C -0.939 174.500 175.328 0.185 0.000 1.148 238 H CA 0.206 56.306 56.048 0.086 0.000 1.401 238 H CB 0.532 30.384 29.762 0.151 0.000 1.461 238 H HN 0.357 nan 8.280 nan 0.000 0.588 239 F N 1.845 121.858 119.950 0.105 0.000 2.607 239 F HA 0.194 4.721 4.527 0.001 0.000 0.322 239 F C -1.127 174.707 175.800 0.057 0.000 1.176 239 F CA -1.196 56.803 58.000 -0.001 0.000 0.977 239 F CB 0.459 39.455 39.000 -0.007 0.000 1.242 239 F HN 0.698 nan 8.300 nan 0.000 0.465 240 Y N 3.301 123.294 120.300 -0.512 0.000 3.037 240 Y HA -0.295 4.255 4.550 -0.001 0.000 0.204 240 Y C 0.640 176.318 175.900 -0.370 0.000 1.275 240 Y CA 0.704 58.511 58.100 -0.489 0.000 1.066 240 Y CB -0.823 37.260 38.460 -0.628 0.000 1.305 240 Y HN 0.560 nan 8.280 nan 0.000 0.499 241 Q N 0.811 120.425 119.800 -0.310 0.000 2.382 241 Q HA 0.245 4.585 4.340 -0.000 0.000 0.229 241 Q C -2.063 173.538 176.000 -0.666 0.000 1.006 241 Q CA -1.978 53.395 55.803 -0.716 0.000 0.916 241 Q CB 0.384 28.625 28.738 -0.827 0.000 1.235 241 Q HN 0.079 nan 8.270 nan 0.000 0.512 242 P HA -0.025 nan 4.420 nan 0.000 0.268 242 P C -0.265 176.797 177.300 -0.397 0.000 1.205 242 P CA 0.095 62.844 63.100 -0.584 0.000 0.771 242 P CB 0.565 31.870 31.700 -0.657 0.000 0.858 243 L N 0.728 121.803 121.223 -0.247 0.000 3.495 243 L HA -0.237 4.103 4.340 -0.000 0.000 0.412 243 L C 1.457 178.195 176.870 -0.221 0.000 0.717 243 L CA 1.642 56.361 54.840 -0.203 0.000 2.795 243 L CB -2.137 39.804 42.059 -0.196 0.000 0.936 243 L HN 0.325 nan 8.230 nan 0.000 0.674 244 D N -0.177 120.077 120.400 -0.244 0.000 2.106 244 D HA -0.128 4.512 4.640 -0.000 0.000 0.191 244 D C 2.078 178.267 176.300 -0.185 0.000 0.997 244 D CA 1.971 55.818 54.000 -0.255 0.000 0.834 244 D CB -0.141 40.488 40.800 -0.286 0.000 0.956 244 D HN 0.586 nan 8.370 nan 0.000 0.448 245 A N 0.566 123.333 122.820 -0.089 0.000 1.948 245 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 245 A C 2.385 179.963 177.584 -0.009 0.000 1.177 245 A CA 2.407 54.450 52.037 0.010 0.000 0.636 245 A CB -1.189 17.890 19.000 0.131 0.000 0.815 245 A HN 0.330 nan 8.150 nan 0.000 0.449 246 G N -0.779 107.992 108.800 -0.048 0.000 2.421 246 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 246 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 246 G C 1.646 176.531 174.900 -0.024 0.000 1.171 246 G CA 1.212 46.288 45.100 -0.039 0.000 0.775 246 G HN 0.489 nan 8.290 nan 0.000 0.543 247 M N 0.628 120.167 119.600 -0.101 0.000 2.175 247 M HA -0.014 4.466 4.480 -0.000 0.000 0.264 247 M C 2.828 179.153 176.300 0.042 0.000 1.063 247 M CA 1.328 56.590 55.300 -0.063 0.000 1.119 247 M CB -0.170 32.211 32.600 -0.364 0.000 1.377 247 M HN 0.349 nan 8.290 nan 0.000 0.415 248 S N 0.346 116.032 115.700 -0.024 0.000 2.368 248 S HA -0.198 4.271 4.470 -0.000 0.000 0.224 248 S C 1.746 176.409 174.600 0.104 0.000 1.029 248 S CA 1.631 59.850 58.200 0.032 0.000 0.988 248 S CB -0.370 62.809 63.200 -0.035 0.000 0.838 248 S HN 0.503 nan 8.310 nan 0.000 0.462 249 D N -0.431 120.021 120.400 0.086 0.000 2.178 249 D HA -0.205 4.435 4.640 -0.000 0.000 0.202 249 D C 1.772 178.112 176.300 0.068 0.000 0.974 249 D CA 1.392 55.446 54.000 0.091 0.000 0.841 249 D CB -0.286 40.562 40.800 0.081 0.000 0.953 249 D HN 0.696 nan 8.370 nan 0.000 0.478 250 H N 0.008 119.066 119.070 -0.019 0.000 2.389 250 H HA 0.023 4.579 4.556 -0.000 0.000 0.299 250 H C 2.088 177.344 175.328 -0.120 0.000 1.081 250 H CA 1.394 57.420 56.048 -0.038 0.000 1.345 250 H CB -0.124 29.642 29.762 0.006 0.000 1.393 250 H HN 0.133 nan 8.280 nan 0.000 0.520 251 L N -1.453 119.553 121.223 -0.362 0.000 2.298 251 L HA 0.037 4.377 4.340 -0.000 0.000 0.209 251 L C 0.950 177.371 176.870 -0.748 0.000 1.084 251 L CA 0.473 54.869 54.840 -0.740 0.000 0.816 251 L CB 0.180 41.623 42.059 -1.027 0.000 0.967 251 L HN 0.268 nan 8.230 nan 0.000 0.460 252 Y N -1.205 119.094 120.300 -0.002 0.000 2.563 252 Y HA 0.393 4.943 4.550 0.000 0.000 0.250 252 Y C 1.620 177.550 175.900 0.049 0.000 1.126 252 Y CA -0.191 57.947 58.100 0.062 0.000 1.231 252 Y CB 0.262 38.840 38.460 0.197 0.000 1.288 252 Y HN 0.070 nan 8.280 nan 0.000 0.537 253 G N 1.714 110.584 108.800 0.117 0.000 2.203 253 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.263 253 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.263 253 G C 0.136 175.106 174.900 0.117 0.000 1.012 253 G CA 1.057 46.211 45.100 0.090 0.000 0.749 253 G HN 0.431 nan 8.290 nan 0.000 0.512 254 M N -2.127 117.571 119.600 0.164 0.000 2.779 254 M HA 0.767 5.247 4.480 -0.000 0.000 0.277 254 M C 0.330 176.730 176.300 0.167 0.000 1.284 254 M CA -0.438 54.953 55.300 0.153 0.000 0.801 254 M CB 1.054 33.742 32.600 0.147 0.000 1.712 254 M HN 0.482 nan 8.290 nan 0.000 0.453 255 T N -2.488 112.179 114.554 0.188 0.000 2.868 255 T HA 0.379 4.729 4.350 -0.000 0.000 0.292 255 T C -2.230 172.585 174.700 0.193 0.000 1.028 255 T CA -1.228 61.010 62.100 0.229 0.000 1.059 255 T CB 0.521 69.607 68.868 0.363 0.000 0.991 255 T HN 0.490 nan 8.240 nan 0.000 0.531 256 P HA -0.117 nan 4.420 nan 0.000 0.216 256 P C 1.318 178.742 177.300 0.206 0.000 1.154 256 P CA 1.143 64.181 63.100 -0.103 0.000 0.865 256 P CB -0.105 31.220 31.700 -0.625 0.000 0.789 257 W N 0.401 121.850 121.300 0.249 0.000 2.381 257 W HA -0.142 4.517 4.660 -0.001 0.000 0.301 257 W C 2.081 178.772 176.519 0.287 0.000 1.205 257 W CA 0.842 58.460 57.345 0.454 0.000 1.285 257 W CB -0.482 29.429 29.460 0.752 0.000 1.133 257 W HN -0.203 nan 8.180 nan 0.000 0.521 258 R N 0.223 120.809 120.500 0.144 0.000 2.091 258 R HA -0.215 4.125 4.340 -0.000 0.000 0.238 258 R C 2.305 178.518 176.300 -0.145 0.000 1.136 258 R CA 2.294 58.360 56.100 -0.056 0.000 0.959 258 R CB -1.696 28.657 30.300 0.088 0.000 0.856 258 R HN 0.301 nan 8.270 nan 0.000 0.437 259 F N 0.328 120.165 119.950 -0.189 0.000 2.046 259 F HA -0.216 4.311 4.527 -0.000 0.000 0.297 259 F C 1.761 177.354 175.800 -0.344 0.000 1.123 259 F CA 1.678 59.517 58.000 -0.268 0.000 1.199 259 F CB -0.304 38.526 39.000 -0.283 0.000 0.972 259 F HN -0.013 nan 8.300 nan 0.000 0.474 260 L N 0.209 121.401 121.223 -0.052 0.000 2.042 260 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 260 L C 2.591 179.281 176.870 -0.299 0.000 1.076 260 L CA 1.984 56.708 54.840 -0.192 0.000 0.749 260 L CB -0.817 41.198 42.059 -0.073 0.000 0.893 260 L HN 0.344 nan 8.230 nan 0.000 0.432 261 E N 0.178 120.055 120.200 -0.539 0.000 2.072 261 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 261 E C 2.092 178.460 176.600 -0.388 0.000 0.985 261 E CA 0.877 56.965 56.400 -0.521 0.000 0.801 261 E CB 0.206 29.483 29.700 -0.706 0.000 0.750 261 E HN 0.259 nan 8.360 nan 0.000 0.452 262 K N 0.169 120.268 120.400 -0.502 0.000 2.160 262 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 262 K C 1.221 177.359 176.600 -0.770 0.000 1.047 262 K CA 1.111 57.003 56.287 -0.659 0.000 0.930 262 K CB -0.243 31.725 32.500 -0.888 0.000 0.720 262 K HN 0.404 nan 8.250 nan 0.000 0.450 263 H N -0.992 117.847 119.070 -0.385 0.000 2.469 263 H HA 0.211 4.767 4.556 -0.000 0.000 0.286 263 H C 0.783 176.139 175.328 0.047 0.000 1.106 263 H CA 0.495 56.386 56.048 -0.262 0.000 1.055 263 H CB 0.512 29.964 29.762 -0.516 0.000 1.618 263 H HN 0.368 nan 8.280 nan 0.000 0.559 264 G N 0.654 109.508 108.800 0.090 0.000 2.132 264 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.234 264 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.234 264 G C 0.382 175.411 174.900 0.216 0.000 0.989 264 G CA 0.056 45.242 45.100 0.144 0.000 0.676 264 G HN 0.440 nan 8.290 nan 0.000 0.522 265 W N 0.282 121.552 121.300 -0.050 0.000 3.220 265 W HA 0.660 5.320 4.660 0.000 0.000 0.328 265 W C 1.449 177.937 176.519 -0.053 0.000 1.205 265 W CA 0.065 57.409 57.345 -0.002 0.000 1.773 265 W CB 0.361 29.857 29.460 0.060 0.000 1.086 265 W HN 0.655 nan 8.180 nan 0.000 0.622 266 A N 1.589 124.420 122.820 0.017 0.000 3.004 266 A HA 0.515 4.834 4.320 -0.000 0.000 0.286 266 A C 0.362 178.015 177.584 0.115 0.000 1.632 266 A CA 0.351 52.413 52.037 0.042 0.000 1.339 266 A CB -0.862 18.047 19.000 -0.150 0.000 1.136 266 A HN 0.012 nan 8.150 nan 0.000 0.577 267 S N 0.027 115.792 115.700 0.108 0.000 2.607 267 S HA 0.453 4.923 4.470 -0.000 0.000 0.273 267 S C -0.075 174.559 174.600 0.057 0.000 1.148 267 S CA -0.131 58.104 58.200 0.058 0.000 0.833 267 S CB 1.351 64.545 63.200 -0.011 0.000 1.130 267 S HN 0.432 nan 8.310 nan 0.000 0.470 268 D N 0.368 120.796 120.400 0.045 0.000 2.358 268 D HA 0.021 4.660 4.640 -0.000 0.000 0.241 268 D C 0.987 177.302 176.300 0.025 0.000 1.094 268 D CA 0.064 54.090 54.000 0.043 0.000 0.907 268 D CB -0.308 40.514 40.800 0.037 0.000 0.893 268 D HN 0.571 nan 8.370 nan 0.000 0.528 269 R N -0.239 120.257 120.500 -0.007 0.000 2.317 269 R HA 0.201 4.541 4.340 -0.000 0.000 0.208 269 R C -0.057 176.236 176.300 -0.012 0.000 0.914 269 R CA -0.028 56.055 56.100 -0.028 0.000 1.060 269 R CB 0.912 31.153 30.300 -0.099 0.000 1.015 269 R HN 0.081 nan 8.270 nan 0.000 0.498 270 V N 1.024 120.945 119.914 0.011 0.000 2.483 270 V HA 0.325 4.444 4.120 -0.000 0.000 0.295 270 V C -0.745 175.489 176.094 0.233 0.000 1.035 270 V CA -0.919 61.406 62.300 0.042 0.000 0.896 270 V CB 1.267 33.097 31.823 0.012 0.000 0.986 270 V HN 0.289 nan 8.190 nan 0.000 0.447 271 W N 5.166 126.498 121.300 0.052 0.000 2.785 271 W HA 0.845 5.505 4.660 -0.000 0.000 0.333 271 W C -2.177 174.472 176.519 0.217 0.000 1.062 271 W CA -1.068 56.317 57.345 0.066 0.000 1.233 271 W CB 1.176 30.635 29.460 -0.003 0.000 1.413 271 W HN 0.401 nan 8.180 nan 0.000 0.489 272 L N 4.624 125.909 121.223 0.104 0.000 2.362 272 L HA 0.768 5.108 4.340 -0.000 0.000 0.275 272 L C 0.254 177.160 176.870 0.059 0.000 0.998 272 L CA -1.408 53.418 54.840 -0.022 0.000 0.820 272 L CB 1.797 43.728 42.059 -0.214 0.000 1.270 272 L HN 0.758 nan 8.230 nan 0.000 0.415 273 A N 1.816 124.612 122.820 -0.040 0.000 2.328 273 A HA 0.576 4.896 4.320 -0.000 0.000 0.284 273 A C 0.409 178.045 177.584 0.086 0.000 1.160 273 A CA 0.103 52.041 52.037 -0.165 0.000 0.818 273 A CB 0.003 18.565 19.000 -0.730 0.000 1.087 273 A HN 1.044 nan 8.150 nan 0.000 0.504 274 H N 1.289 120.408 119.070 0.082 0.000 4.750 274 H HA -0.299 4.257 4.556 0.000 0.000 0.061 274 H C 1.138 176.596 175.328 0.217 0.000 0.613 274 H CA 1.575 57.723 56.048 0.167 0.000 0.921 274 H CB -1.794 28.080 29.762 0.186 0.000 0.422 274 H HN 2.279 nan 8.280 nan 0.000 0.809 275 A N 0.705 123.738 122.820 0.355 0.000 2.466 275 A HA -0.137 4.183 4.320 -0.000 0.000 0.295 275 A C 1.528 179.278 177.584 0.276 0.000 1.465 275 A CA 1.319 53.538 52.037 0.305 0.000 0.744 275 A CB -1.824 17.381 19.000 0.340 0.000 1.098 275 A HN 0.452 nan 8.150 nan 0.000 0.402 276 V N -0.663 119.347 119.914 0.160 0.000 2.379 276 V HA -0.045 4.075 4.120 -0.000 0.000 0.243 276 V C 1.563 177.658 176.094 0.002 0.000 1.035 276 V CA 1.914 64.277 62.300 0.105 0.000 1.035 276 V CB -0.064 31.782 31.823 0.039 0.000 0.673 276 V HN 1.522 nan 8.190 nan 0.000 0.457 277 V N -1.319 118.543 119.914 -0.086 0.000 2.562 277 V HA 0.477 4.597 4.120 -0.000 0.000 0.274 277 V C -2.547 173.309 176.094 -0.396 0.000 1.075 277 V CA -1.764 60.433 62.300 -0.172 0.000 1.204 277 V CB 0.164 31.891 31.823 -0.159 0.000 1.478 277 V HN 0.289 nan 8.190 nan 0.000 0.622 278 P HA 0.423 nan 4.420 nan 0.000 0.274 278 P C -2.769 174.242 177.300 -0.481 0.000 1.231 278 P CA -1.429 61.120 63.100 -0.919 0.000 0.790 278 P CB 0.497 32.046 31.700 -0.251 0.000 0.951 279 P HA 0.177 nan 4.420 nan 0.000 0.271 279 P C 1.183 178.375 177.300 -0.179 0.000 1.220 279 P CA -0.153 62.820 63.100 -0.211 0.000 0.768 279 P CB 0.324 31.953 31.700 -0.118 0.000 0.848 280 R N 3.295 123.711 120.500 -0.140 0.000 2.117 280 R HA -0.178 4.162 4.340 -0.000 0.000 0.243 280 R C 1.744 177.951 176.300 -0.155 0.000 1.143 280 R CA 1.564 57.586 56.100 -0.131 0.000 0.968 280 R CB -0.732 29.509 30.300 -0.098 0.000 0.863 280 R HN 0.647 nan 8.270 nan 0.000 0.444 281 E N 0.702 120.823 120.200 -0.132 0.000 2.338 281 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 281 E C 0.971 177.450 176.600 -0.202 0.000 1.007 281 E CA 0.972 57.297 56.400 -0.125 0.000 0.849 281 E CB -0.140 29.520 29.700 -0.066 0.000 0.774 281 E HN 0.466 nan 8.360 nan 0.000 0.506 282 E N 0.529 120.545 120.200 -0.307 0.000 2.371 282 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 282 E C 2.145 177.985 176.600 -1.266 0.000 1.012 282 E CA 0.082 56.134 56.400 -0.581 0.000 0.860 282 E CB -0.015 29.442 29.700 -0.405 0.000 0.811 282 E HN 0.319 nan 8.360 nan 0.000 0.502 283 I N 1.552 121.574 120.570 -0.914 0.000 2.208 283 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 283 I C -0.788 175.004 176.117 -0.541 0.000 1.097 283 I CA 1.138 61.947 61.300 -0.818 0.000 1.363 283 I CB -1.119 36.776 38.000 -0.174 0.000 1.051 283 I HN 0.051 nan 8.210 nan 0.000 0.413 284 P HA -0.155 nan 4.420 nan 0.000 0.222 284 P C 1.130 178.334 177.300 -0.160 0.000 1.147 284 P CA 1.302 64.299 63.100 -0.170 0.000 0.790 284 P CB -0.062 31.571 31.700 -0.111 0.000 0.780 285 E N -1.433 118.587 120.200 -0.300 0.000 2.107 285 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 285 E C 1.600 178.193 176.600 -0.012 0.000 0.982 285 E CA 0.886 57.234 56.400 -0.087 0.000 0.809 285 E CB -0.503 29.218 29.700 0.036 0.000 0.756 285 E HN 0.254 nan 8.360 nan 0.000 0.459 286 F N 1.416 121.150 119.950 -0.361 0.000 2.171 286 F HA -0.093 4.433 4.527 -0.001 0.000 0.300 286 F C 2.490 178.236 175.800 -0.090 0.000 1.090 286 F CA 0.704 58.488 58.000 -0.361 0.000 1.293 286 F CB -1.357 37.415 39.000 -0.381 0.000 1.013 286 F HN -0.014 nan 8.300 nan 0.000 0.486 287 A N 0.332 123.213 122.820 0.101 0.000 1.858 287 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 287 A C 2.076 179.716 177.584 0.092 0.000 1.190 287 A CA 2.021 54.108 52.037 0.084 0.000 0.617 287 A CB -0.903 18.125 19.000 0.046 0.000 0.827 287 A HN 0.269 nan 8.150 nan 0.000 0.443 288 D N 0.006 120.463 120.400 0.095 0.000 2.144 288 D HA -0.030 4.610 4.640 -0.000 0.000 0.200 288 D C 2.166 178.551 176.300 0.142 0.000 0.978 288 D CA 1.481 55.544 54.000 0.105 0.000 0.833 288 D CB -0.428 40.432 40.800 0.101 0.000 0.961 288 D HN 0.427 nan 8.370 nan 0.000 0.470 289 A N 0.117 123.070 122.820 0.222 0.000 2.015 289 A HA 0.193 4.513 4.320 -0.000 0.000 0.219 289 A C 1.883 179.576 177.584 0.182 0.000 1.163 289 A CA 1.728 53.921 52.037 0.260 0.000 0.646 289 A CB -0.465 18.835 19.000 0.500 0.000 0.806 289 A HN 0.317 nan 8.150 nan 0.000 0.448 290 G N -1.019 107.872 108.800 0.152 0.000 2.137 290 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.237 290 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.237 290 G C 0.339 175.295 174.900 0.094 0.000 1.002 290 G CA 0.486 45.647 45.100 0.102 0.000 0.702 290 G HN 1.657 nan 8.290 nan 0.000 0.515 291 V N -1.887 118.096 119.914 0.115 0.000 2.963 291 V HA 0.786 4.906 4.120 -0.000 0.000 0.306 291 V C 0.835 176.944 176.094 0.025 0.000 1.077 291 V CA -0.126 62.217 62.300 0.072 0.000 1.124 291 V CB 1.311 33.157 31.823 0.039 0.000 0.987 291 V HN 1.776 nan 8.190 nan 0.000 0.487 292 A N 4.117 126.967 122.820 0.050 0.000 2.311 292 A HA 0.904 5.223 4.320 -0.000 0.000 0.334 292 A C -0.494 177.112 177.584 0.037 0.000 1.139 292 A CA -0.886 51.180 52.037 0.048 0.000 0.830 292 A CB 0.951 20.003 19.000 0.088 0.000 1.234 292 A HN 0.883 nan 8.150 nan 0.000 0.483 293 I N 0.604 121.179 120.570 0.008 0.000 2.533 293 I HA 0.505 4.675 4.170 -0.000 0.000 0.290 293 I C 0.137 176.309 176.117 0.092 0.000 1.056 293 I CA -0.500 60.797 61.300 -0.004 0.000 1.057 293 I CB 2.149 40.011 38.000 -0.229 0.000 1.240 293 I HN 0.701 nan 8.210 nan 0.000 0.423 294 A N 4.581 127.488 122.820 0.145 0.000 2.249 294 A HA 0.441 4.761 4.320 -0.000 0.000 0.314 294 A C -0.756 176.851 177.584 0.037 0.000 1.290 294 A CA -0.282 51.824 52.037 0.114 0.000 0.893 294 A CB 0.043 19.152 19.000 0.181 0.000 1.165 294 A HN 0.714 nan 8.150 nan 0.000 0.530 295 H N 2.811 121.795 119.070 -0.143 0.000 2.690 295 H HA 0.480 5.036 4.556 -0.000 0.000 0.314 295 H C -0.821 174.129 175.328 -0.630 0.000 1.069 295 H CA -0.506 55.384 56.048 -0.263 0.000 1.436 295 H CB 0.434 30.091 29.762 -0.175 0.000 1.462 295 H HN 0.482 nan 8.280 nan 0.000 0.511 296 L N 7.532 128.462 121.223 -0.489 0.000 2.502 296 L HA 0.171 4.511 4.340 -0.000 0.000 0.247 296 L C 1.191 177.819 176.870 -0.404 0.000 1.180 296 L CA -0.379 54.141 54.840 -0.534 0.000 0.956 296 L CB 0.501 42.335 42.059 -0.375 0.000 1.282 296 L HN 0.552 nan 8.230 nan 0.000 0.470 297 I N 2.043 122.201 120.570 -0.686 0.000 2.208 297 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 297 I C 2.467 178.522 176.117 -0.104 0.000 1.097 297 I CA 2.133 63.245 61.300 -0.313 0.000 1.363 297 I CB 0.188 38.096 38.000 -0.152 0.000 1.051 297 I HN 0.585 nan 8.210 nan 0.000 0.413 298 A N 0.912 123.687 122.820 -0.076 0.000 1.858 298 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 298 A C 0.168 177.696 177.584 -0.093 0.000 1.190 298 A CA 2.092 54.101 52.037 -0.047 0.000 0.617 298 A CB -2.230 16.765 19.000 -0.008 0.000 0.827 298 A HN 0.392 nan 8.150 nan 0.000 0.443 299 P HA -0.100 nan 4.420 nan 0.000 0.216 299 P C 0.440 177.556 177.300 -0.306 0.000 1.153 299 P CA 1.417 64.403 63.100 -0.189 0.000 0.848 299 P CB -0.110 31.596 31.700 0.011 0.000 0.787 300 D N -0.762 119.598 120.400 -0.066 0.000 2.117 300 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 300 D C 2.060 178.304 176.300 -0.092 0.000 0.987 300 D CA 1.024 55.053 54.000 0.048 0.000 0.829 300 D CB -0.773 40.177 40.800 0.251 0.000 0.961 300 D HN 0.153 nan 8.370 nan 0.000 0.460 301 L N 0.160 121.325 121.223 -0.096 0.000 2.027 301 L HA -0.069 4.271 4.340 -0.000 0.000 0.206 301 L C 2.634 179.395 176.870 -0.182 0.000 1.074 301 L CA 0.832 55.607 54.840 -0.108 0.000 0.745 301 L CB -0.339 41.672 42.059 -0.079 0.000 0.898 301 L HN -0.029 nan 8.230 nan 0.000 0.433 302 R N -0.042 120.320 120.500 -0.231 0.000 2.120 302 R HA -0.146 4.193 4.340 -0.000 0.000 0.234 302 R C 1.975 178.054 176.300 -0.368 0.000 1.123 302 R CA 1.203 57.151 56.100 -0.253 0.000 0.975 302 R CB 0.070 30.227 30.300 -0.239 0.000 0.866 302 R HN 0.264 nan 8.270 nan 0.000 0.446 303 M N -0.756 118.470 119.600 -0.622 0.000 2.561 303 M HA 0.145 4.625 4.480 -0.000 0.000 0.238 303 M C 1.031 177.012 176.300 -0.533 0.000 1.131 303 M CA 0.842 55.649 55.300 -0.821 0.000 1.046 303 M CB 0.182 31.699 32.600 -1.806 0.000 1.532 303 M HN 0.416 nan 8.290 nan 0.000 0.497 304 G N -0.621 107.990 108.800 -0.315 0.000 2.143 304 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.248 304 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.248 304 G C 0.454 175.398 174.900 0.072 0.000 0.991 304 G CA 0.272 45.314 45.100 -0.096 0.000 0.689 304 G HN 0.471 nan 8.290 nan 0.000 0.522 305 W N 0.211 121.468 121.300 -0.072 0.000 2.453 305 W HA 0.410 5.069 4.660 -0.001 0.000 0.289 305 W C 1.733 178.223 176.519 -0.047 0.000 1.215 305 W CA 1.550 58.856 57.345 -0.064 0.000 1.297 305 W CB -0.838 28.576 29.460 -0.076 0.000 1.113 305 W HN 1.369 nan 8.180 nan 0.000 0.551 306 G N -0.188 108.715 108.800 0.173 0.000 2.428 306 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.202 306 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.202 306 G C -1.371 173.569 174.900 0.067 0.000 1.247 306 G CA -0.802 44.344 45.100 0.076 0.000 1.020 306 G HN -0.016 nan 8.290 nan 0.000 0.529 307 L N 1.056 122.289 121.223 0.017 0.000 2.280 307 L HA 0.679 5.018 4.340 -0.000 0.000 0.287 307 L C 1.091 178.004 176.870 0.071 0.000 1.023 307 L CA -0.359 54.474 54.840 -0.012 0.000 0.819 307 L CB 1.433 43.417 42.059 -0.124 0.000 1.212 307 L HN 1.112 nan 8.230 nan 0.000 0.420 308 A N 5.664 128.575 122.820 0.152 0.000 2.445 308 A HA 0.368 4.688 4.320 -0.000 0.000 0.242 308 A C -2.000 175.564 177.584 -0.033 0.000 1.075 308 A CA -0.942 51.153 52.037 0.096 0.000 0.777 308 A CB -0.309 18.802 19.000 0.186 0.000 1.013 308 A HN 0.538 nan 8.150 nan 0.000 0.493 309 P HA 0.078 nan 4.420 nan 0.000 0.230 309 P C 0.653 177.567 177.300 -0.643 0.000 1.791 309 P CA -0.203 62.662 63.100 -0.391 0.000 1.020 309 P CB -0.091 31.337 31.700 -0.452 0.000 1.977 310 I N 1.092 121.442 120.570 -0.367 0.000 2.252 310 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 310 I C 2.492 178.504 176.117 -0.175 0.000 1.102 310 I CA 1.231 62.372 61.300 -0.265 0.000 1.385 310 I CB -1.307 36.479 38.000 -0.356 0.000 1.064 310 I HN 0.184 nan 8.210 nan 0.000 0.414 311 R N 1.846 122.242 120.500 -0.173 0.000 2.096 311 R HA -0.214 4.126 4.340 -0.000 0.000 0.240 311 R C 2.058 178.310 176.300 -0.080 0.000 1.139 311 R CA 1.780 57.827 56.100 -0.088 0.000 0.952 311 R CB -0.564 29.705 30.300 -0.052 0.000 0.854 311 R HN 0.292 nan 8.270 nan 0.000 0.436 312 E N -0.768 119.338 120.200 -0.156 0.000 2.070 312 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 312 E C 1.918 178.504 176.600 -0.023 0.000 1.004 312 E CA 1.876 58.195 56.400 -0.136 0.000 0.805 312 E CB -0.439 29.122 29.700 -0.232 0.000 0.744 312 E HN 0.414 nan 8.360 nan 0.000 0.451 313 Y N 0.196 120.504 120.300 0.014 0.000 2.145 313 Y HA -0.103 4.446 4.550 -0.000 0.000 0.286 313 Y C 2.142 178.056 175.900 0.025 0.000 1.145 313 Y CA 0.702 58.825 58.100 0.039 0.000 1.148 313 Y CB -0.809 37.683 38.460 0.053 0.000 0.981 313 Y HN 0.022 nan 8.280 nan 0.000 0.507 314 L N -0.444 120.875 121.223 0.161 0.000 2.083 314 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 314 L C 1.988 178.896 176.870 0.063 0.000 1.083 314 L CA 1.383 56.278 54.840 0.091 0.000 0.752 314 L CB -0.536 41.556 42.059 0.054 0.000 0.899 314 L HN 0.120 nan 8.230 nan 0.000 0.433 315 D N 0.381 120.808 120.400 0.044 0.000 2.144 315 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 315 D C 2.099 178.420 176.300 0.036 0.000 0.984 315 D CA 1.505 55.521 54.000 0.027 0.000 0.834 315 D CB 0.052 40.855 40.800 0.006 0.000 0.955 315 D HN 0.315 nan 8.370 nan 0.000 0.465 316 A N -0.421 122.435 122.820 0.060 0.000 2.206 316 A HA 0.357 4.677 4.320 -0.000 0.000 0.211 316 A C 1.738 179.359 177.584 0.061 0.000 1.158 316 A CA 1.131 53.204 52.037 0.059 0.000 0.761 316 A CB -0.255 18.795 19.000 0.083 0.000 0.801 316 A HN 0.255 nan 8.150 nan 0.000 0.473 317 G N -0.699 108.140 108.800 0.065 0.000 2.147 317 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.244 317 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.244 317 G C 0.070 175.008 174.900 0.064 0.000 1.005 317 G CA 0.297 45.431 45.100 0.057 0.000 0.713 317 G HN 0.488 nan 8.290 nan 0.000 0.515 318 I N 1.566 122.188 120.570 0.087 0.000 2.496 318 I HA 0.166 4.336 4.170 -0.000 0.000 0.285 318 I C 1.185 177.333 176.117 0.052 0.000 1.080 318 I CA -0.238 61.104 61.300 0.070 0.000 1.404 318 I CB 0.877 38.922 38.000 0.075 0.000 1.403 318 I HN 0.032 nan 8.210 nan 0.000 0.539 319 T N 6.209 120.780 114.554 0.028 0.000 2.831 319 T HA 0.151 4.500 4.350 -0.000 0.000 0.291 319 T C -0.047 174.665 174.700 0.020 0.000 0.981 319 T CA -0.145 61.965 62.100 0.017 0.000 1.174 319 T CB 0.141 69.011 68.868 0.004 0.000 0.929 319 T HN 0.248 nan 8.240 nan 0.000 0.532 320 V N 3.497 123.434 119.914 0.037 0.000 2.487 320 V HA 0.743 4.863 4.120 -0.000 0.000 0.298 320 V C 0.701 176.837 176.094 0.071 0.000 1.028 320 V CA -0.732 61.610 62.300 0.070 0.000 0.860 320 V CB 1.784 33.679 31.823 0.120 0.000 0.991 320 V HN 1.012 nan 8.190 nan 0.000 0.427 321 G N 2.423 111.274 108.800 0.084 0.000 3.016 321 G HA2 0.801 4.761 3.960 -0.000 0.000 0.270 321 G HA3 0.801 4.761 3.960 -0.000 0.000 0.270 321 G C -1.790 173.230 174.900 0.201 0.000 1.352 321 G CA -0.575 44.580 45.100 0.092 0.000 1.060 321 G HN 0.433 nan 8.290 nan 0.000 0.538 322 F N -1.405 118.559 119.950 0.023 0.000 2.599 322 F HA 0.700 5.227 4.527 -0.000 0.000 0.311 322 F C 0.302 176.116 175.800 0.025 0.000 1.076 322 F CA 0.078 58.102 58.000 0.040 0.000 0.937 322 F CB 2.551 41.563 39.000 0.020 0.000 1.282 322 F HN 0.862 nan 8.300 nan 0.000 0.460 323 G N 0.131 108.930 108.800 -0.003 0.000 2.649 323 G HA2 0.424 4.384 3.960 -0.000 0.000 0.290 323 G HA3 0.424 4.384 3.960 -0.000 0.000 0.290 323 G C -0.399 174.528 174.900 0.045 0.000 1.426 323 G CA -0.079 45.076 45.100 0.091 0.000 0.794 323 G HN 0.750 nan 8.290 nan 0.000 0.483 324 T N -3.441 111.166 114.554 0.090 0.000 2.990 324 T HA 0.368 4.718 4.350 -0.000 0.000 0.250 324 T C 1.149 175.888 174.700 0.064 0.000 1.041 324 T CA 1.239 63.387 62.100 0.080 0.000 1.010 324 T CB -0.128 68.797 68.868 0.095 0.000 1.003 324 T HN 1.756 nan 8.240 nan 0.000 0.499 325 T N 0.512 115.121 114.554 0.092 0.000 0.541 325 T HA -0.028 4.322 4.350 -0.000 0.000 0.774 325 T C 0.514 175.252 174.700 0.064 0.000 0.992 325 T CA 0.540 62.715 62.100 0.124 0.000 4.077 325 T CB -1.285 67.736 68.868 0.255 0.000 2.303 325 T HN 1.091 nan 8.240 nan 0.000 0.398 326 G N 0.270 109.150 108.800 0.133 0.000 2.634 326 G HA2 0.426 4.386 3.960 -0.000 0.000 0.255 326 G HA3 0.426 4.386 3.960 -0.000 0.000 0.255 326 G C 1.037 176.002 174.900 0.109 0.000 1.205 326 G CA 0.270 45.444 45.100 0.125 0.000 0.884 326 G HN 0.870 nan 8.290 nan 0.000 0.549 327 S N 0.177 115.919 115.700 0.070 0.000 2.603 327 S HA 0.111 4.580 4.470 -0.000 0.000 0.220 327 S C 2.137 176.796 174.600 0.098 0.000 0.967 327 S CA 0.436 58.681 58.200 0.074 0.000 0.920 327 S CB 0.227 63.463 63.200 0.059 0.000 0.773 327 S HN 0.773 nan 8.310 nan 0.000 0.529 328 A N 1.366 124.272 122.820 0.144 0.000 2.178 328 A HA 0.193 4.513 4.320 -0.000 0.000 0.211 328 A C 1.284 179.127 177.584 0.431 0.000 1.157 328 A CA 0.536 52.714 52.037 0.235 0.000 0.780 328 A CB 0.028 19.123 19.000 0.157 0.000 0.828 328 A HN 0.443 nan 8.150 nan 0.000 0.476 329 S N -1.081 114.772 115.700 0.255 0.000 2.407 329 S HA 0.334 4.804 4.470 -0.000 0.000 0.166 329 S C -0.092 174.497 174.600 -0.019 0.000 1.445 329 S CA -0.317 57.903 58.200 0.033 0.000 1.260 329 S CB -0.191 62.790 63.200 -0.365 0.000 1.401 329 S HN 0.373 nan 8.310 nan 0.000 0.379 330 N N 1.456 120.173 118.700 0.028 0.000 2.995 330 N HA 0.104 4.844 4.740 -0.000 0.000 0.254 330 N C -0.716 174.804 175.510 0.015 0.000 0.967 330 N CA 0.340 53.399 53.050 0.015 0.000 1.054 330 N CB 0.414 38.925 38.487 0.040 0.000 1.615 330 N HN 0.333 nan 8.380 nan 0.000 0.766 331 D N 0.795 121.214 120.400 0.031 0.000 2.615 331 D HA 0.365 5.005 4.640 -0.000 0.000 0.236 331 D C 0.098 176.428 176.300 0.050 0.000 1.233 331 D CA 0.004 54.034 54.000 0.050 0.000 0.829 331 D CB 0.523 41.356 40.800 0.055 0.000 1.024 331 D HN 0.302 nan 8.370 nan 0.000 0.490 332 G N -1.320 107.508 108.800 0.047 0.000 2.597 332 G HA2 0.498 4.458 3.960 -0.000 0.000 0.317 332 G HA3 0.498 4.458 3.960 -0.000 0.000 0.317 332 G C 0.670 175.606 174.900 0.059 0.000 1.230 332 G CA -0.877 44.254 45.100 0.051 0.000 0.996 332 G HN 0.038 nan 8.290 nan 0.000 0.490 333 G N -0.567 108.271 108.800 0.063 0.000 3.609 333 G HA2 0.086 4.046 3.960 -0.000 0.000 0.280 333 G HA3 0.086 4.046 3.960 -0.000 0.000 0.280 333 G C 0.390 175.338 174.900 0.079 0.000 1.155 333 G CA -0.348 44.796 45.100 0.072 0.000 0.876 333 G HN 0.464 nan 8.290 nan 0.000 0.535 334 N N 1.301 120.046 118.700 0.074 0.000 2.605 334 N HA 0.093 4.832 4.740 -0.000 0.000 0.258 334 N C 1.427 176.984 175.510 0.077 0.000 1.156 334 N CA -0.576 52.520 53.050 0.076 0.000 1.008 334 N CB 0.686 39.210 38.487 0.061 0.000 1.354 334 N HN 0.044 nan 8.380 nan 0.000 0.509 335 L N 3.854 125.132 121.223 0.091 0.000 2.042 335 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 335 L C 1.783 178.646 176.870 -0.011 0.000 1.076 335 L CA 1.443 56.334 54.840 0.086 0.000 0.749 335 L CB -0.724 41.395 42.059 0.102 0.000 0.893 335 L HN 0.560 nan 8.230 nan 0.000 0.432 336 L N -0.358 120.857 121.223 -0.013 0.000 2.017 336 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 336 L C 2.347 179.147 176.870 -0.116 0.000 1.073 336 L CA 2.148 56.919 54.840 -0.116 0.000 0.745 336 L CB -1.503 40.471 42.059 -0.142 0.000 0.894 336 L HN 0.304 nan 8.230 nan 0.000 0.432 337 G N -1.453 107.320 108.800 -0.046 0.000 2.432 337 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.219 337 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.219 337 G C 1.218 176.105 174.900 -0.021 0.000 1.135 337 G CA 0.810 45.890 45.100 -0.033 0.000 0.767 337 G HN 0.416 nan 8.290 nan 0.000 0.550 338 D N 0.330 120.733 120.400 0.005 0.000 2.224 338 D HA -0.011 4.629 4.640 -0.000 0.000 0.205 338 D C 2.617 178.924 176.300 0.013 0.000 0.965 338 D CA 0.194 54.239 54.000 0.075 0.000 0.852 338 D CB -0.102 40.837 40.800 0.232 0.000 0.947 338 D HN 0.295 nan 8.370 nan 0.000 0.494 339 L N 0.289 121.390 121.223 -0.203 0.000 2.046 339 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 339 L C 2.570 179.377 176.870 -0.105 0.000 1.077 339 L CA 0.974 55.625 54.840 -0.314 0.000 0.747 339 L CB -0.343 41.484 42.059 -0.387 0.000 0.896 339 L HN -0.006 nan 8.230 nan 0.000 0.432 340 R N 0.444 120.897 120.500 -0.078 0.000 2.091 340 R HA -0.222 4.118 4.340 -0.000 0.000 0.238 340 R C 2.344 178.644 176.300 -0.000 0.000 1.136 340 R CA 1.473 57.550 56.100 -0.040 0.000 0.959 340 R CB -0.273 30.000 30.300 -0.045 0.000 0.856 340 R HN 0.192 nan 8.270 nan 0.000 0.437 341 L N 0.700 121.934 121.223 0.019 0.000 2.042 341 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 341 L C 2.261 179.183 176.870 0.087 0.000 1.076 341 L CA 2.220 57.083 54.840 0.038 0.000 0.749 341 L CB -0.684 41.401 42.059 0.045 0.000 0.893 341 L HN 0.282 nan 8.230 nan 0.000 0.432 342 A N -0.816 122.110 122.820 0.176 0.000 1.929 342 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 342 A C 2.431 180.197 177.584 0.304 0.000 1.176 342 A CA 1.408 53.661 52.037 0.360 0.000 0.628 342 A CB -1.026 18.295 19.000 0.535 0.000 0.816 342 A HN 0.543 nan 8.150 nan 0.000 0.444 343 A N -0.858 122.046 122.820 0.139 0.000 1.940 343 A HA 0.010 4.329 4.320 -0.000 0.000 0.219 343 A C 1.942 179.542 177.584 0.027 0.000 1.176 343 A CA 1.778 53.863 52.037 0.080 0.000 0.631 343 A CB -0.311 18.707 19.000 0.029 0.000 0.814 343 A HN 0.391 nan 8.150 nan 0.000 0.446 344 L N -1.509 119.714 121.223 -0.001 0.000 2.286 344 L HA 0.260 4.599 4.340 -0.000 0.000 0.203 344 L C 2.843 179.647 176.870 -0.109 0.000 1.068 344 L CA 1.446 56.236 54.840 -0.084 0.000 0.811 344 L CB -1.379 40.640 42.059 -0.067 0.000 0.989 344 L HN 0.327 nan 8.230 nan 0.000 0.467 345 A N -1.330 121.458 122.820 -0.053 0.000 1.972 345 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 345 A C 2.095 179.588 177.584 -0.153 0.000 1.169 345 A CA 1.317 53.292 52.037 -0.104 0.000 0.635 345 A CB -0.750 18.189 19.000 -0.101 0.000 0.810 345 A HN 0.494 nan 8.150 nan 0.000 0.446 346 H N -0.502 118.529 119.070 -0.065 0.000 2.495 346 H HA 0.005 4.561 4.556 -0.000 0.000 0.287 346 H C 2.216 177.427 175.328 -0.194 0.000 1.033 346 H CA 1.256 57.264 56.048 -0.066 0.000 1.307 346 H CB 0.026 29.790 29.762 0.003 0.000 1.401 346 H HN 0.534 nan 8.280 nan 0.000 0.555 347 R N 0.165 120.468 120.500 -0.328 0.000 2.081 347 R HA -0.091 4.248 4.340 -0.000 0.000 0.235 347 R C -0.681 175.370 176.300 -0.416 0.000 1.131 347 R CA 1.133 56.710 56.100 -0.872 0.000 0.960 347 R CB -1.114 28.350 30.300 -1.394 0.000 0.856 347 R HN 0.307 nan 8.270 nan 0.000 0.436 348 P HA -0.007 nan 4.420 nan 0.000 0.239 348 P C 0.302 177.595 177.300 -0.011 0.000 1.184 348 P CA 0.912 63.959 63.100 -0.088 0.000 0.760 348 P CB 0.148 31.797 31.700 -0.086 0.000 0.884 349 A N -0.807 122.015 122.820 0.004 0.000 2.072 349 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 349 A C 0.963 178.608 177.584 0.102 0.000 1.156 349 A CA 1.040 53.105 52.037 0.046 0.000 0.701 349 A CB -0.219 18.814 19.000 0.054 0.000 0.816 349 A HN 0.044 nan 8.150 nan 0.000 0.458 350 D N -0.816 119.699 120.400 0.190 0.000 2.613 350 D HA 0.219 4.859 4.640 -0.000 0.000 0.312 350 D C -2.188 174.353 176.300 0.402 0.000 1.202 350 D CA -1.118 53.045 54.000 0.272 0.000 0.825 350 D CB 0.922 41.916 40.800 0.324 0.000 1.113 350 D HN 0.077 nan 8.370 nan 0.000 0.502 351 P HA -0.126 nan 4.420 nan 0.000 0.216 351 P C 0.840 178.293 177.300 0.255 0.000 1.150 351 P CA 1.182 64.433 63.100 0.251 0.000 0.843 351 P CB 0.418 32.195 31.700 0.129 0.000 0.787 352 N N -1.157 117.631 118.700 0.147 0.000 2.204 352 N HA 0.064 4.804 4.740 -0.000 0.000 0.219 352 N C -0.194 175.293 175.510 -0.038 0.000 1.151 352 N CA 0.250 53.331 53.050 0.052 0.000 0.867 352 N CB 0.587 39.092 38.487 0.031 0.000 1.043 352 N HN 0.311 nan 8.380 nan 0.000 0.516 353 E N 0.650 120.813 120.200 -0.062 0.000 3.108 353 E HA 0.196 4.546 4.350 -0.000 0.000 0.228 353 E C -2.034 174.235 176.600 -0.551 0.000 1.176 353 E CA -1.549 54.731 56.400 -0.200 0.000 0.881 353 E CB 1.454 31.104 29.700 -0.083 0.000 1.354 353 E HN -0.026 nan 8.360 nan 0.000 0.400 354 P HA -0.252 nan 4.420 nan 0.000 0.219 354 P C 1.354 178.115 177.300 -0.898 0.000 1.146 354 P CA 1.085 63.096 63.100 -1.816 0.000 0.808 354 P CB 0.229 31.197 31.700 -1.220 0.000 0.779 355 E N 0.881 120.798 120.200 -0.472 0.000 2.333 355 E HA -0.189 4.161 4.350 -0.000 0.000 0.198 355 E C 1.238 177.757 176.600 -0.135 0.000 1.007 355 E CA 1.267 57.529 56.400 -0.231 0.000 0.845 355 E CB -0.657 28.949 29.700 -0.157 0.000 0.766 355 E HN 0.317 nan 8.360 nan 0.000 0.507 356 K N -0.254 120.064 120.400 -0.137 0.000 2.356 356 K HA 0.056 4.376 4.320 -0.000 0.000 0.195 356 K C 0.092 176.800 176.600 0.181 0.000 1.037 356 K CA -0.203 56.097 56.287 0.023 0.000 1.014 356 K CB 0.096 32.629 32.500 0.054 0.000 0.815 356 K HN 0.035 nan 8.250 nan 0.000 0.507 357 W N 2.469 123.768 121.300 -0.002 0.000 2.223 357 W HA 0.073 4.733 4.660 -0.000 0.000 0.334 357 W C 0.375 176.887 176.519 -0.012 0.000 1.334 357 W CA -1.008 56.341 57.345 0.007 0.000 1.246 357 W CB -0.345 29.130 29.460 0.024 0.000 1.184 357 W HN -0.050 nan 8.180 nan 0.000 0.563 358 L N 4.032 125.361 121.223 0.177 0.000 2.410 358 L HA 0.082 4.422 4.340 -0.000 0.000 0.273 358 L C 1.167 178.105 176.870 0.114 0.000 1.152 358 L CA -0.167 54.721 54.840 0.080 0.000 0.855 358 L CB -0.014 42.038 42.059 -0.012 0.000 1.129 358 L HN 0.451 nan 8.230 nan 0.000 0.463 359 S N 2.257 118.012 115.700 0.091 0.000 2.645 359 S HA 0.439 4.909 4.470 -0.000 0.000 0.266 359 S C 1.110 175.748 174.600 0.063 0.000 1.258 359 S CA -0.211 58.041 58.200 0.087 0.000 0.990 359 S CB 1.683 64.927 63.200 0.074 0.000 0.967 359 S HN 0.667 nan 8.310 nan 0.000 0.556 360 A N 1.288 124.140 122.820 0.053 0.000 1.902 360 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 360 A C 2.366 179.981 177.584 0.052 0.000 1.181 360 A CA 1.337 53.392 52.037 0.029 0.000 0.623 360 A CB -0.749 18.261 19.000 0.016 0.000 0.818 360 A HN 0.897 nan 8.150 nan 0.000 0.443 361 R N -0.514 120.037 120.500 0.086 0.000 2.090 361 R HA -0.076 4.264 4.340 -0.000 0.000 0.228 361 R C 2.097 178.498 176.300 0.169 0.000 1.110 361 R CA 1.388 57.588 56.100 0.167 0.000 0.973 361 R CB -0.228 30.159 30.300 0.145 0.000 0.869 361 R HN 0.685 nan 8.270 nan 0.000 0.440 362 E N 0.571 120.826 120.200 0.092 0.000 2.077 362 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 362 E C 1.980 178.584 176.600 0.007 0.000 0.989 362 E CA 1.012 57.442 56.400 0.050 0.000 0.800 362 E CB -0.040 29.688 29.700 0.046 0.000 0.746 362 E HN 0.273 nan 8.360 nan 0.000 0.452 363 L N 0.564 121.789 121.223 0.004 0.000 2.056 363 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 363 L C 2.407 179.198 176.870 -0.131 0.000 1.078 363 L CA 0.766 55.572 54.840 -0.056 0.000 0.749 363 L CB -0.248 41.763 42.059 -0.081 0.000 0.901 363 L HN 0.147 nan 8.230 nan 0.000 0.433 364 L N -0.669 120.516 121.223 -0.064 0.000 2.131 364 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 364 L C 2.836 179.523 176.870 -0.305 0.000 1.092 364 L CA 1.004 55.821 54.840 -0.039 0.000 0.759 364 L CB -0.466 41.725 42.059 0.222 0.000 0.903 364 L HN 0.258 nan 8.230 nan 0.000 0.435 365 R N 0.264 120.467 120.500 -0.494 0.000 2.073 365 R HA -0.126 4.214 4.340 -0.000 0.000 0.229 365 R C 2.333 178.368 176.300 -0.443 0.000 1.120 365 R CA 1.305 56.835 56.100 -0.950 0.000 0.967 365 R CB -0.143 29.811 30.300 -0.576 0.000 0.862 365 R HN 0.297 nan 8.270 nan 0.000 0.436 366 M N -0.026 119.456 119.600 -0.197 0.000 2.106 366 M HA -0.170 4.310 4.480 -0.000 0.000 0.259 366 M C 2.232 178.515 176.300 -0.028 0.000 1.068 366 M CA 2.059 57.338 55.300 -0.035 0.000 1.100 366 M CB -0.249 32.436 32.600 0.141 0.000 1.351 366 M HN 0.227 nan 8.290 nan 0.000 0.404 367 A N -0.487 122.273 122.820 -0.100 0.000 2.208 367 A HA -0.011 4.308 4.320 -0.000 0.000 0.209 367 A C 1.845 179.391 177.584 -0.064 0.000 1.161 367 A CA 1.432 53.433 52.037 -0.060 0.000 0.782 367 A CB -0.590 18.317 19.000 -0.155 0.000 0.816 367 A HN 0.610 nan 8.150 nan 0.000 0.477 368 T N -3.444 111.023 114.554 -0.146 0.000 3.409 368 T HA 0.134 4.484 4.350 -0.000 0.000 0.188 368 T C 1.777 176.392 174.700 -0.141 0.000 0.929 368 T CA 0.453 62.485 62.100 -0.114 0.000 1.184 368 T CB -0.240 68.579 68.868 -0.082 0.000 1.570 368 T HN 0.178 nan 8.240 nan 0.000 0.367 369 R N 1.395 121.760 120.500 -0.226 0.000 2.081 369 R HA 0.068 4.408 4.340 -0.000 0.000 0.235 369 R C 2.567 178.787 176.300 -0.134 0.000 1.131 369 R CA 1.848 57.857 56.100 -0.151 0.000 0.960 369 R CB -1.110 29.099 30.300 -0.152 0.000 0.856 369 R HN 0.561 nan 8.270 nan 0.000 0.436 370 G N -0.413 108.297 108.800 -0.150 0.000 2.459 370 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 370 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 370 G C 1.457 176.293 174.900 -0.106 0.000 1.183 370 G CA 0.962 46.005 45.100 -0.095 0.000 0.776 370 G HN 0.364 nan 8.290 nan 0.000 0.552 371 S N 1.003 116.639 115.700 -0.107 0.000 2.370 371 S HA -0.070 4.400 4.470 -0.000 0.000 0.226 371 S C 2.793 177.239 174.600 -0.257 0.000 1.033 371 S CA 1.329 59.429 58.200 -0.165 0.000 1.011 371 S CB -0.458 62.676 63.200 -0.110 0.000 0.852 371 S HN 0.630 nan 8.310 nan 0.000 0.457 372 A N 1.504 124.209 122.820 -0.191 0.000 1.892 372 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 372 A C 1.992 179.448 177.584 -0.212 0.000 1.188 372 A CA 1.835 53.757 52.037 -0.191 0.000 0.631 372 A CB -0.661 18.274 19.000 -0.108 0.000 0.822 372 A HN 0.583 nan 8.150 nan 0.000 0.447 373 E N -1.049 119.052 120.200 -0.166 0.000 2.106 373 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 373 E C 2.037 178.519 176.600 -0.196 0.000 0.984 373 E CA 1.080 57.397 56.400 -0.139 0.000 0.806 373 E CB -0.394 29.256 29.700 -0.084 0.000 0.750 373 E HN 0.686 nan 8.360 nan 0.000 0.458 374 C N 0.438 119.569 119.300 -0.283 0.000 2.413 374 C HA -0.124 4.336 4.460 -0.000 0.000 0.276 374 C C 2.086 176.606 174.990 -0.783 0.000 1.248 374 C CA 0.409 59.162 59.018 -0.442 0.000 1.742 374 C CB -0.611 26.779 27.740 -0.583 0.000 2.017 374 C HN 0.348 nan 8.230 nan 0.000 0.481 375 L N 0.671 121.394 121.223 -0.834 0.000 2.599 375 L HA 0.223 4.563 4.340 -0.000 0.000 0.230 375 L C 1.803 178.450 176.870 -0.372 0.000 1.141 375 L CA 1.291 55.596 54.840 -0.892 0.000 0.877 375 L CB -1.496 40.002 42.059 -0.935 0.000 1.009 375 L HN 0.499 nan 8.230 nan 0.000 0.447 376 G N 0.616 109.268 108.800 -0.245 0.000 2.295 376 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.287 376 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.287 376 G C 0.225 175.085 174.900 -0.067 0.000 1.055 376 G CA -0.123 44.917 45.100 -0.100 0.000 0.922 376 G HN 0.188 nan 8.290 nan 0.000 0.503 377 R N -0.434 120.004 120.500 -0.103 0.000 2.332 377 R HA 0.339 4.679 4.340 -0.000 0.000 0.306 377 R C -2.071 174.201 176.300 -0.047 0.000 1.117 377 R CA -2.162 53.903 56.100 -0.059 0.000 1.108 377 R CB 1.494 31.750 30.300 -0.073 0.000 1.126 377 R HN 0.133 nan 8.270 nan 0.000 0.548 378 P HA 0.000 nan 4.420 nan 0.000 0.249 378 P C 0.262 177.562 177.300 -0.000 0.000 1.229 378 P CA 0.475 63.562 63.100 -0.021 0.000 0.788 378 P CB 0.359 32.044 31.700 -0.024 0.000 1.072 379 D N -1.150 119.253 120.400 0.004 0.000 2.339 379 D HA 0.025 4.665 4.640 -0.000 0.000 0.217 379 D C 0.521 176.896 176.300 0.125 0.000 1.050 379 D CA 0.299 54.341 54.000 0.069 0.000 0.856 379 D CB -0.066 40.740 40.800 0.010 0.000 0.922 379 D HN 0.187 nan 8.370 nan 0.000 0.518 380 L N -1.850 119.410 121.223 0.062 0.000 2.279 380 L HA 0.623 4.963 4.340 -0.000 0.000 0.262 380 L C 1.278 178.166 176.870 0.030 0.000 1.019 380 L CA -0.845 54.025 54.840 0.051 0.000 0.823 380 L CB 1.912 43.980 42.059 0.015 0.000 1.358 380 L HN 0.047 nan 8.230 nan 0.000 0.432 381 G N 0.474 109.296 108.800 0.036 0.000 2.159 381 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.256 381 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.256 381 G C -0.372 174.583 174.900 0.091 0.000 0.977 381 G CA 0.091 45.211 45.100 0.033 0.000 0.652 381 G HN 0.360 nan 8.290 nan 0.000 0.531 382 V N 0.754 120.732 119.914 0.106 0.000 2.777 382 V HA 0.452 4.572 4.120 -0.000 0.000 0.306 382 V C 0.235 176.390 176.094 0.102 0.000 1.112 382 V CA -0.843 61.537 62.300 0.133 0.000 0.917 382 V CB 1.973 33.860 31.823 0.106 0.000 1.018 382 V HN 0.254 nan 8.190 nan 0.000 0.426 383 L N 5.736 127.016 121.223 0.095 0.000 2.375 383 L HA 0.547 4.887 4.340 -0.000 0.000 0.276 383 L C 0.316 177.211 176.870 0.042 0.000 1.162 383 L CA 0.255 55.128 54.840 0.056 0.000 0.991 383 L CB -0.160 41.923 42.059 0.039 0.000 1.315 383 L HN 0.876 nan 8.230 nan 0.000 0.431 384 E N 1.522 121.748 120.200 0.045 0.000 2.430 384 E HA 0.264 4.614 4.350 -0.000 0.000 0.279 384 E C -1.114 175.510 176.600 0.040 0.000 1.003 384 E CA -1.030 55.393 56.400 0.038 0.000 0.801 384 E CB 1.374 31.099 29.700 0.042 0.000 1.313 384 E HN 0.283 nan 8.360 nan 0.000 0.459 385 E N 0.278 120.498 120.200 0.033 0.000 2.529 385 E HA 0.137 4.486 4.350 -0.000 0.000 0.259 385 E C 0.641 177.276 176.600 0.059 0.000 0.966 385 E CA 1.619 58.040 56.400 0.036 0.000 0.937 385 E CB -0.033 29.683 29.700 0.028 0.000 0.923 385 E HN 0.867 nan 8.360 nan 0.000 0.468 386 G N 4.423 113.271 108.800 0.079 0.000 2.234 386 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.235 386 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.235 386 G C 0.303 175.342 174.900 0.232 0.000 0.997 386 G CA 0.090 45.274 45.100 0.140 0.000 0.623 386 G HN 0.534 nan 8.290 nan 0.000 0.514 387 R N 0.881 121.481 120.500 0.168 0.000 2.546 387 R HA 0.708 5.048 4.340 -0.000 0.000 0.266 387 R C 0.795 177.199 176.300 0.173 0.000 1.086 387 R CA 0.127 56.356 56.100 0.215 0.000 1.160 387 R CB 0.218 30.592 30.300 0.123 0.000 1.138 387 R HN 0.718 nan 8.270 nan 0.000 0.567 388 A N 0.722 123.670 122.820 0.213 0.000 2.462 388 A HA 0.330 4.650 4.320 -0.000 0.000 0.243 388 A C 0.395 177.935 177.584 -0.072 0.000 1.076 388 A CA 0.190 52.206 52.037 -0.035 0.000 0.773 388 A CB 0.111 19.188 19.000 0.129 0.000 1.010 388 A HN 0.734 nan 8.150 nan 0.000 0.493 389 A N 3.108 125.832 122.820 -0.159 0.000 3.026 389 A HA 0.407 4.727 4.320 -0.000 0.000 0.272 389 A C -0.602 176.947 177.584 -0.058 0.000 1.782 389 A CA -0.173 51.806 52.037 -0.096 0.000 1.451 389 A CB -0.789 18.141 19.000 -0.117 0.000 1.081 389 A HN 0.625 nan 8.150 nan 0.000 0.611 390 D N 1.174 121.561 120.400 -0.022 0.000 2.441 390 D HA 0.584 5.224 4.640 -0.000 0.000 0.231 390 D C -0.462 175.840 176.300 0.004 0.000 1.073 390 D CA 0.320 54.317 54.000 -0.004 0.000 0.850 390 D CB 0.922 41.734 40.800 0.020 0.000 1.062 390 D HN 0.413 nan 8.370 nan 0.000 0.524 391 I N 1.105 121.665 120.570 -0.017 0.000 2.582 391 I HA 0.699 4.869 4.170 -0.000 0.000 0.292 391 I C -0.573 175.505 176.117 -0.066 0.000 1.066 391 I CA -1.111 60.178 61.300 -0.018 0.000 1.053 391 I CB 2.221 40.204 38.000 -0.028 0.000 1.241 391 I HN 0.265 nan 8.210 nan 0.000 0.421 392 A N 4.792 127.569 122.820 -0.071 0.000 2.356 392 A HA 0.815 5.135 4.320 -0.000 0.000 0.310 392 A C -1.120 176.276 177.584 -0.313 0.000 1.075 392 A CA -0.399 51.476 52.037 -0.270 0.000 0.746 392 A CB 1.236 20.076 19.000 -0.267 0.000 1.221 392 A HN 0.775 nan 8.150 nan 0.000 0.443 393 C N 1.959 120.963 119.300 -0.493 0.000 2.563 393 C HA 0.780 5.239 4.460 -0.000 0.000 0.314 393 C C -0.636 174.088 174.990 -0.443 0.000 1.199 393 C CA -0.833 58.033 59.018 -0.253 0.000 1.564 393 C CB 0.746 28.412 27.740 -0.125 0.000 2.173 393 C HN 0.812 nan 8.230 nan 0.000 0.485 394 W N 1.477 122.777 121.300 -0.001 0.000 2.736 394 W HA 0.481 5.141 4.660 -0.000 0.000 0.335 394 W C -0.078 176.439 176.519 -0.004 0.000 1.059 394 W CA -0.691 56.654 57.345 -0.001 0.000 1.226 394 W CB 1.209 30.669 29.460 0.000 0.000 1.416 394 W HN 0.551 nan 8.180 nan 0.000 0.505 395 R N 2.139 122.754 120.500 0.192 0.000 2.594 395 R HA 0.232 4.572 4.340 -0.000 0.000 0.272 395 R C 0.694 177.062 176.300 0.113 0.000 1.074 395 R CA -0.127 56.040 56.100 0.111 0.000 1.105 395 R CB 1.022 31.362 30.300 0.068 0.000 1.008 395 R HN 0.485 nan 8.270 nan 0.000 0.472 396 L N 1.408 122.673 121.223 0.069 0.000 2.766 396 L HA 0.062 4.402 4.340 -0.000 0.000 0.242 396 L C 0.370 177.255 176.870 0.024 0.000 1.136 396 L CA 0.165 55.033 54.840 0.046 0.000 0.933 396 L CB 0.162 42.241 42.059 0.033 0.000 1.241 396 L HN 0.630 nan 8.230 nan 0.000 0.522 397 D N -0.575 119.840 120.400 0.025 0.000 2.525 397 D HA 0.131 4.771 4.640 -0.000 0.000 0.229 397 D C 0.776 177.084 176.300 0.013 0.000 1.202 397 D CA -0.182 53.825 54.000 0.012 0.000 0.828 397 D CB 0.093 40.898 40.800 0.009 0.000 1.008 397 D HN 0.015 nan 8.370 nan 0.000 0.493 398 G N -0.431 108.381 108.800 0.019 0.000 2.476 398 G HA2 0.273 4.233 3.960 -0.000 0.000 0.286 398 G HA3 0.273 4.233 3.960 -0.000 0.000 0.286 398 G C 0.846 175.752 174.900 0.011 0.000 1.177 398 G CA -0.662 44.448 45.100 0.018 0.000 0.870 398 G HN 0.089 nan 8.290 nan 0.000 0.528 399 V N 0.596 120.516 119.914 0.009 0.000 2.594 399 V HA -0.111 4.009 4.120 -0.000 0.000 0.253 399 V C 2.174 178.271 176.094 0.006 0.000 1.069 399 V CA 2.545 64.849 62.300 0.006 0.000 1.082 399 V CB -0.400 31.427 31.823 0.006 0.000 0.680 399 V HN 0.840 nan 8.190 nan 0.000 0.469 400 D N -0.722 119.684 120.400 0.009 0.000 2.349 400 D HA -0.093 4.547 4.640 -0.000 0.000 0.224 400 D C 1.694 177.998 176.300 0.005 0.000 1.029 400 D CA 0.437 54.442 54.000 0.008 0.000 0.879 400 D CB -0.276 40.530 40.800 0.011 0.000 0.906 400 D HN 0.488 nan 8.370 nan 0.000 0.528 401 R N 0.617 121.120 120.500 0.004 0.000 2.565 401 R HA 0.181 4.521 4.340 -0.000 0.000 0.347 401 R C 0.315 176.607 176.300 -0.013 0.000 1.010 401 R CA -0.222 55.877 56.100 -0.002 0.000 1.126 401 R CB 1.384 31.685 30.300 0.002 0.000 1.331 401 R HN 0.109 nan 8.270 nan 0.000 0.552 402 V N -0.985 118.921 119.914 -0.013 0.000 2.763 402 V HA 0.420 4.540 4.120 -0.000 0.000 0.306 402 V C 1.204 177.279 176.094 -0.033 0.000 1.059 402 V CA 0.702 62.986 62.300 -0.026 0.000 1.138 402 V CB 0.830 32.643 31.823 -0.016 0.000 0.940 402 V HN 0.527 nan 8.190 nan 0.000 0.489 403 G N 2.130 110.885 108.800 -0.074 0.000 2.176 403 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.253 403 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.253 403 G C 0.102 174.931 174.900 -0.118 0.000 0.979 403 G CA -0.062 44.985 45.100 -0.089 0.000 0.641 403 G HN 1.375 nan 8.290 nan 0.000 0.530 404 V N 2.117 121.972 119.914 -0.099 0.000 2.521 404 V HA 0.246 4.366 4.120 -0.000 0.000 0.286 404 V C 1.557 177.568 176.094 -0.138 0.000 1.034 404 V CA 0.211 62.485 62.300 -0.043 0.000 1.045 404 V CB 1.014 32.825 31.823 -0.020 0.000 0.974 404 V HN 0.423 nan 8.190 nan 0.000 0.480 405 H N 1.977 121.047 119.070 -0.000 0.000 2.553 405 H HA 0.151 4.707 4.556 -0.000 0.000 0.276 405 H C 0.120 175.447 175.328 -0.002 0.000 0.979 405 H CA 0.233 56.281 56.048 -0.000 0.000 1.268 405 H CB 0.914 30.677 29.762 0.001 0.000 1.450 405 H HN 0.574 nan 8.280 nan 0.000 0.527 406 D N 0.341 120.805 120.400 0.106 0.000 2.505 406 D HA 0.150 4.790 4.640 -0.000 0.000 0.250 406 D C -2.047 174.266 176.300 0.021 0.000 1.164 406 D CA -2.300 51.730 54.000 0.051 0.000 0.870 406 D CB 2.230 43.057 40.800 0.046 0.000 1.160 406 D HN -0.082 nan 8.370 nan 0.000 0.549 407 P HA -0.091 nan 4.420 nan 0.000 0.215 407 P C 1.065 178.353 177.300 -0.020 0.000 1.153 407 P CA 1.340 64.437 63.100 -0.006 0.000 0.853 407 P CB 0.312 32.011 31.700 -0.001 0.000 0.788 408 A N -0.552 122.255 122.820 -0.021 0.000 1.877 408 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 408 A C 2.232 179.796 177.584 -0.033 0.000 1.186 408 A CA 1.505 53.523 52.037 -0.031 0.000 0.620 408 A CB -1.611 17.373 19.000 -0.026 0.000 0.822 408 A HN 0.110 nan 8.150 nan 0.000 0.443 409 I N -0.286 120.277 120.570 -0.012 0.000 2.286 409 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 409 I C 2.670 178.774 176.117 -0.021 0.000 1.115 409 I CA 1.059 62.355 61.300 -0.006 0.000 1.392 409 I CB -0.655 37.355 38.000 0.017 0.000 1.065 409 I HN 0.403 nan 8.210 nan 0.000 0.418 410 G N 1.067 109.855 108.800 -0.019 0.000 2.422 410 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 410 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 410 G C 1.634 176.493 174.900 -0.068 0.000 1.146 410 G CA 0.365 45.448 45.100 -0.027 0.000 0.769 410 G HN 0.213 nan 8.290 nan 0.000 0.547 411 L N 0.621 121.780 121.223 -0.106 0.000 2.079 411 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 411 L C 2.420 179.161 176.870 -0.215 0.000 1.081 411 L CA 1.350 56.065 54.840 -0.209 0.000 0.752 411 L CB -0.148 41.740 42.059 -0.285 0.000 0.896 411 L HN 0.147 nan 8.230 nan 0.000 0.433 412 I N -1.725 118.757 120.570 -0.147 0.000 2.867 412 I HA -0.047 4.122 4.170 -0.000 0.000 0.265 412 I C 1.720 177.790 176.117 -0.079 0.000 1.162 412 I CA 0.704 61.929 61.300 -0.124 0.000 1.471 412 I CB -0.614 37.330 38.000 -0.093 0.000 1.123 412 I HN 0.256 nan 8.210 nan 0.000 0.440 413 M N 0.384 119.952 119.600 -0.054 0.000 2.371 413 M HA 0.149 4.629 4.480 -0.000 0.000 0.246 413 M C 0.699 176.985 176.300 -0.023 0.000 1.103 413 M CA 0.317 55.600 55.300 -0.028 0.000 1.010 413 M CB -0.348 32.248 32.600 -0.007 0.000 1.457 413 M HN 0.264 nan 8.290 nan 0.000 0.486 414 T N -2.220 112.314 114.554 -0.034 0.000 2.838 414 T HA 0.821 5.171 4.350 -0.000 0.000 0.292 414 T C 0.048 174.731 174.700 -0.030 0.000 1.113 414 T CA -0.237 61.850 62.100 -0.022 0.000 1.008 414 T CB 2.639 71.499 68.868 -0.012 0.000 1.259 414 T HN 0.381 nan 8.240 nan 0.000 0.520 415 G N -0.286 108.506 108.800 -0.014 0.000 2.742 415 G HA2 0.074 4.034 3.960 -0.000 0.000 0.686 415 G HA3 0.074 4.034 3.960 -0.000 0.000 0.686 415 G C -0.097 174.803 174.900 0.000 0.000 1.220 415 G CA -0.407 44.689 45.100 -0.007 0.000 0.783 415 G HN 0.965 nan 8.290 nan 0.000 0.646 416 L N 0.313 121.543 121.223 0.011 0.000 2.509 416 L HA 0.387 4.727 4.340 -0.000 0.000 0.222 416 L C 1.432 178.315 176.870 0.023 0.000 1.123 416 L CA 1.283 56.131 54.840 0.015 0.000 0.856 416 L CB 0.289 42.358 42.059 0.017 0.000 0.985 416 L HN 0.690 nan 8.230 nan 0.000 0.456 417 S N -1.367 114.352 115.700 0.032 0.000 2.536 417 S HA 0.260 4.730 4.470 -0.000 0.000 0.271 417 S C -0.573 174.073 174.600 0.077 0.000 1.134 417 S CA -0.738 57.495 58.200 0.054 0.000 0.897 417 S CB 1.469 64.708 63.200 0.064 0.000 1.094 417 S HN 0.046 nan 8.310 nan 0.000 0.473 418 D N 1.982 122.439 120.400 0.096 0.000 2.368 418 D HA 0.151 4.791 4.640 -0.000 0.000 0.218 418 D C 0.042 176.549 176.300 0.344 0.000 1.112 418 D CA -0.126 53.962 54.000 0.146 0.000 0.834 418 D CB 0.247 41.095 40.800 0.079 0.000 0.953 418 D HN 0.296 nan 8.370 nan 0.000 0.505 419 R N 1.329 121.979 120.500 0.250 0.000 2.484 419 R HA 0.277 4.617 4.340 -0.000 0.000 0.293 419 R C 0.279 176.692 176.300 0.187 0.000 1.023 419 R CA -0.072 56.143 56.100 0.192 0.000 1.037 419 R CB 0.350 30.708 30.300 0.096 0.000 0.951 419 R HN -0.000 nan 8.270 nan 0.000 0.418 420 A N 2.089 124.870 122.820 -0.065 0.000 2.407 420 A HA 0.114 4.434 4.320 -0.000 0.000 0.248 420 A C 1.310 178.671 177.584 -0.371 0.000 1.082 420 A CA 0.017 51.645 52.037 -0.682 0.000 0.785 420 A CB 0.804 19.288 19.000 -0.861 0.000 1.020 420 A HN 0.772 nan 8.150 nan 0.000 0.489 421 S N 0.457 115.921 115.700 -0.392 0.000 2.387 421 S HA 0.144 4.614 4.470 -0.000 0.000 0.221 421 S C 0.370 174.858 174.600 -0.186 0.000 1.041 421 S CA 0.873 58.960 58.200 -0.189 0.000 0.959 421 S CB -0.329 62.804 63.200 -0.112 0.000 0.843 421 S HN 0.928 nan 8.310 nan 0.000 0.488 422 L N 1.969 123.045 121.223 -0.245 0.000 2.409 422 L HA 0.724 5.063 4.340 -0.000 0.000 0.272 422 L C -1.744 174.989 176.870 -0.228 0.000 0.980 422 L CA -0.450 54.279 54.840 -0.185 0.000 0.826 422 L CB 2.112 44.093 42.059 -0.130 0.000 1.268 422 L HN 0.002 nan 8.230 nan 0.000 0.407 423 V N 5.551 125.362 119.914 -0.171 0.000 2.525 423 V HA 0.620 4.740 4.120 -0.000 0.000 0.299 423 V C -0.810 175.226 176.094 -0.098 0.000 1.034 423 V CA -0.616 61.589 62.300 -0.158 0.000 0.863 423 V CB 2.058 33.789 31.823 -0.154 0.000 0.999 423 V HN 0.520 nan 8.190 nan 0.000 0.423 424 V N 5.372 125.237 119.914 -0.082 0.000 2.487 424 V HA 0.624 4.744 4.120 -0.000 0.000 0.298 424 V C -0.467 175.601 176.094 -0.044 0.000 1.028 424 V CA -0.636 61.628 62.300 -0.059 0.000 0.860 424 V CB 2.075 33.863 31.823 -0.058 0.000 0.991 424 V HN 0.587 nan 8.190 nan 0.000 0.427 425 V N 3.961 123.855 119.914 -0.034 0.000 2.531 425 V HA 0.494 4.614 4.120 -0.000 0.000 0.301 425 V C 0.525 176.604 176.094 -0.025 0.000 1.034 425 V CA -0.689 61.601 62.300 -0.018 0.000 0.865 425 V CB 1.348 33.170 31.823 -0.000 0.000 0.995 425 V HN 0.991 nan 8.190 nan 0.000 0.424 426 N N 3.469 122.149 118.700 -0.033 0.000 2.725 426 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 426 N C 1.051 176.506 175.510 -0.090 0.000 1.103 426 N CA 1.919 54.932 53.050 -0.061 0.000 0.707 426 N CB -0.981 37.496 38.487 -0.018 0.000 1.043 426 N HN 1.698 nan 8.380 nan 0.000 0.553 427 G N -1.493 107.253 108.800 -0.090 0.000 2.179 427 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.260 427 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.260 427 G C -0.186 174.678 174.900 -0.060 0.000 0.977 427 G CA 0.549 45.597 45.100 -0.087 0.000 0.641 427 G HN 0.732 nan 8.290 nan 0.000 0.533 428 Q N 0.454 120.225 119.800 -0.048 0.000 2.314 428 Q HA 0.557 4.897 4.340 -0.000 0.000 0.259 428 Q C 0.136 176.112 176.000 -0.039 0.000 0.951 428 Q CA -0.715 55.065 55.803 -0.038 0.000 0.909 428 Q CB 1.556 30.277 28.738 -0.028 0.000 1.236 428 Q HN 0.173 nan 8.270 nan 0.000 0.444 429 V N 6.859 126.749 119.914 -0.039 0.000 2.446 429 V HA -0.015 4.105 4.120 -0.000 0.000 0.276 429 V C 0.913 176.983 176.094 -0.040 0.000 1.030 429 V CA 0.603 62.877 62.300 -0.044 0.000 1.033 429 V CB 0.450 32.248 31.823 -0.042 0.000 0.993 429 V HN 0.888 nan 8.190 nan 0.000 0.477 430 L N 4.982 126.178 121.223 -0.045 0.000 2.642 430 L HA 0.311 4.650 4.340 -0.000 0.000 0.233 430 L C 0.001 176.844 176.870 -0.045 0.000 1.077 430 L CA 0.433 55.249 54.840 -0.039 0.000 0.879 430 L CB 0.838 42.877 42.059 -0.034 0.000 1.151 430 L HN 0.435 nan 8.230 nan 0.000 0.495 431 V N 0.054 119.931 119.914 -0.061 0.000 2.638 431 V HA 0.408 4.527 4.120 -0.000 0.000 0.306 431 V C -0.930 175.119 176.094 -0.077 0.000 1.052 431 V CA -0.637 61.622 62.300 -0.069 0.000 0.885 431 V CB 2.502 34.271 31.823 -0.090 0.000 0.999 431 V HN 0.086 nan 8.190 nan 0.000 0.424 432 E N 2.785 122.947 120.200 -0.063 0.000 2.331 432 E HA 0.457 4.806 4.350 -0.000 0.000 0.275 432 E C -0.281 176.288 176.600 -0.051 0.000 0.895 432 E CA -0.650 55.714 56.400 -0.061 0.000 0.753 432 E CB 1.516 31.187 29.700 -0.048 0.000 1.216 432 E HN 0.768 nan 8.360 nan 0.000 0.434 433 N N 3.285 121.954 118.700 -0.051 0.000 2.721 433 N HA -0.238 4.502 4.740 -0.000 0.000 0.249 433 N C -0.657 174.831 175.510 -0.037 0.000 1.072 433 N CA 1.054 54.081 53.050 -0.038 0.000 0.710 433 N CB -0.704 37.767 38.487 -0.026 0.000 0.993 433 N HN 0.789 nan 8.380 nan 0.000 0.547 434 E N -2.550 117.618 120.200 -0.054 0.000 3.286 434 E HA -0.297 4.053 4.350 -0.000 0.000 0.292 434 E C -0.495 176.085 176.600 -0.033 0.000 0.928 434 E CA 0.947 57.319 56.400 -0.046 0.000 0.982 434 E CB -0.444 29.244 29.700 -0.021 0.000 1.500 434 E HN 0.533 nan 8.360 nan 0.000 0.441 435 R N 0.035 120.514 120.500 -0.036 0.000 2.621 435 R HA 0.381 4.721 4.340 -0.000 0.000 0.292 435 R C -2.743 173.539 176.300 -0.030 0.000 0.969 435 R CA -2.157 53.927 56.100 -0.026 0.000 0.887 435 R CB 1.499 31.787 30.300 -0.020 0.000 1.180 435 R HN -0.190 nan 8.270 nan 0.000 0.450 436 P HA -0.069 nan 4.420 nan 0.000 0.264 436 P C 0.492 177.778 177.300 -0.023 0.000 1.193 436 P CA 0.098 63.183 63.100 -0.024 0.000 0.763 436 P CB 0.719 32.409 31.700 -0.016 0.000 0.810 437 V N 3.843 123.741 119.914 -0.026 0.000 2.379 437 V HA -0.120 4.000 4.120 -0.000 0.000 0.243 437 V C 1.879 177.961 176.094 -0.019 0.000 1.035 437 V CA 1.769 64.054 62.300 -0.024 0.000 1.035 437 V CB -0.742 31.064 31.823 -0.028 0.000 0.673 437 V HN 0.510 nan 8.190 nan 0.000 0.457 438 L N -0.711 120.501 121.223 -0.018 0.000 2.537 438 L HA 0.449 4.789 4.340 -0.000 0.000 0.224 438 L C 1.251 178.113 176.870 -0.013 0.000 1.065 438 L CA 0.273 55.104 54.840 -0.015 0.000 0.860 438 L CB -0.100 41.950 42.059 -0.015 0.000 1.086 438 L HN 0.205 nan 8.230 nan 0.000 0.482 439 A N 0.245 123.056 122.820 -0.014 0.000 2.388 439 A HA 0.134 4.454 4.320 -0.000 0.000 0.257 439 A C -0.430 177.149 177.584 -0.009 0.000 1.095 439 A CA -0.184 51.846 52.037 -0.012 0.000 0.791 439 A CB 0.193 19.186 19.000 -0.012 0.000 1.029 439 A HN 0.102 nan 8.150 nan 0.000 0.489 440 D N 2.743 123.138 120.400 -0.008 0.000 2.483 440 D HA 0.121 4.761 4.640 -0.000 0.000 0.220 440 D C 1.028 177.325 176.300 -0.004 0.000 1.173 440 D CA -0.145 53.852 54.000 -0.006 0.000 0.964 440 D CB 0.223 41.020 40.800 -0.005 0.000 1.046 440 D HN 0.503 nan 8.370 nan 0.000 0.517 441 L N 3.353 124.574 121.223 -0.004 0.000 2.012 441 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 441 L C 1.590 178.460 176.870 0.000 0.000 1.073 441 L CA 1.612 56.451 54.840 -0.001 0.000 0.748 441 L CB 0.158 42.217 42.059 -0.001 0.000 0.891 441 L HN 0.225 nan 8.230 nan 0.000 0.431 442 E N -0.490 119.710 120.200 -0.000 0.000 2.153 442 E HA -0.245 4.104 4.350 -0.000 0.000 0.194 442 E C 2.138 178.738 176.600 0.000 0.000 0.988 442 E CA 1.023 57.423 56.400 0.000 0.000 0.811 442 E CB -0.177 29.523 29.700 -0.000 0.000 0.746 442 E HN 0.275 nan 8.360 nan 0.000 0.466 443 R N 0.671 121.170 120.500 -0.001 0.000 2.090 443 R HA 0.059 4.399 4.340 -0.000 0.000 0.228 443 R C 1.909 178.209 176.300 0.000 0.000 1.110 443 R CA 1.085 57.184 56.100 -0.001 0.000 0.973 443 R CB -0.437 29.861 30.300 -0.002 0.000 0.869 443 R HN 0.214 nan 8.270 nan 0.000 0.440 444 I N -0.356 120.214 120.570 0.000 0.000 2.252 444 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 444 I C 1.952 178.072 176.117 0.005 0.000 1.102 444 I CA 0.904 62.205 61.300 0.002 0.000 1.385 444 I CB -0.158 37.842 38.000 0.001 0.000 1.064 444 I HN -0.026 nan 8.210 nan 0.000 0.414 445 V N 1.051 120.968 119.914 0.005 0.000 2.295 445 V HA -0.316 3.804 4.120 -0.000 0.000 0.246 445 V C 2.697 178.794 176.094 0.004 0.000 1.049 445 V CA 2.139 64.442 62.300 0.006 0.000 1.024 445 V CB -0.979 30.848 31.823 0.006 0.000 0.648 445 V HN 0.497 nan 8.190 nan 0.000 0.447 446 A N 0.176 122.997 122.820 0.002 0.000 1.873 446 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 446 A C 2.061 179.645 177.584 -0.000 0.000 1.186 446 A CA 2.034 54.071 52.037 0.000 0.000 0.616 446 A CB -0.705 18.294 19.000 -0.001 0.000 0.823 446 A HN 0.576 nan 8.150 nan 0.000 0.442 447 N N -0.187 118.514 118.700 0.001 0.000 2.120 447 N HA -0.100 4.639 4.740 -0.000 0.000 0.188 447 N C 1.741 177.254 175.510 0.005 0.000 1.024 447 N CA 2.032 55.083 53.050 0.002 0.000 0.852 447 N CB -0.810 37.678 38.487 0.003 0.000 1.003 447 N HN 0.498 nan 8.380 nan 0.000 0.424 448 T N -0.055 114.503 114.554 0.007 0.000 2.812 448 T HA -0.048 4.302 4.350 -0.000 0.000 0.264 448 T C 1.864 176.568 174.700 0.007 0.000 1.042 448 T CA 1.386 63.494 62.100 0.013 0.000 1.140 448 T CB -0.522 68.358 68.868 0.019 0.000 0.870 448 T HN 0.271 nan 8.240 nan 0.000 0.445 449 T N 2.195 116.750 114.554 0.002 0.000 2.759 449 T HA -0.064 4.286 4.350 -0.000 0.000 0.269 449 T C 2.334 177.024 174.700 -0.017 0.000 1.042 449 T CA 1.166 63.262 62.100 -0.007 0.000 1.140 449 T CB -0.504 68.361 68.868 -0.005 0.000 0.864 449 T HN 0.431 nan 8.240 nan 0.000 0.455 450 A N 0.626 123.438 122.820 -0.013 0.000 2.070 450 A HA 0.104 4.424 4.320 -0.000 0.000 0.220 450 A C 2.040 179.609 177.584 -0.024 0.000 1.159 450 A CA 0.997 53.024 52.037 -0.018 0.000 0.656 450 A CB -0.534 18.460 19.000 -0.010 0.000 0.800 450 A HN 0.522 nan 8.150 nan 0.000 0.453 451 L N -0.037 121.176 121.223 -0.017 0.000 2.616 451 L HA 0.190 4.530 4.340 -0.000 0.000 0.229 451 L C -0.216 176.631 176.870 -0.038 0.000 1.110 451 L CA -0.501 54.332 54.840 -0.012 0.000 0.884 451 L CB 0.094 42.164 42.059 0.018 0.000 1.115 451 L HN 0.172 nan 8.230 nan 0.000 0.481 452 I N 1.869 122.400 120.570 -0.065 0.000 2.598 452 I HA 0.097 4.267 4.170 -0.000 0.000 0.284 452 I C -1.471 174.475 176.117 -0.285 0.000 1.140 452 I CA -1.520 59.696 61.300 -0.140 0.000 1.420 452 I CB -0.445 37.493 38.000 -0.103 0.000 1.387 452 I HN -0.082 nan 8.210 nan 0.000 0.553 453 P HA 0.000 nan 4.420 nan 0.000 0.216 453 P CA 0.000 62.618 63.100 -0.803 0.000 0.800 453 P CB 0.000 30.555 31.700 -1.908 0.000 0.726