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 2j68_1_A DATA FIRST_RESID 2 DATA SEQUENCE VNQVATDRFI QDLERVAQVR SEMSVCLNKL AETINKAELA GDSSSGKLSL DATA SEQUENCE ERDIEDITIA SKNLQQGVFR LLVLGDMKRG KSTFLNALIG ENLLPSXXXX DATA SEQUENCE XTAVLTVLRY GPEKKVTIHF NDGKSPQQLD FQNFKYKYTI DPAEAKKLEQ DATA SEQUENCE EKKQAFPDVD YAVVEYPLTL LQKGIEIVDS PGLNDTEARN ELSLGYVNNC DATA SEQUENCE HAILFVMRAS QPCTLGERRY LENYIKGRGL TVFFLVNAWD QVRESLIDPD DATA SEQUENCE DVEELQASEN RLRQVFNANL AEYCTVEGQN IYDERVFELS SIQALRRRLK DATA SEQUENCE NPQADLDGTG FPKFMDSLNT FLTRERAIAE LRQVRTLARL ACNHTREAVA DATA SEQUENCE RRIPLLEQDV NELKKRIDSV EPEFNKLTGI RDEFQKEIIN TRDTQARTIS DATA SEQUENCE ESFRSYVLNL GNTFENDFLR YQPELNLFDF LSSGKREAFN AALQKAFEQY DATA SEQUENCE ITDKSAAWTL TAEKDINAAF KELSRSASQY GASYNQITDQ ITEKLTGKDV DATA SEQUENCE XXXXXXXXXE DNSPGWAKWA MGLLSLSKGN LAGFALAGAG FDWKNILLNY DATA SEQUENCE FTVIGIGGII TAVTGILLGP IGFALLGLGV GFLQADQARR ELVKTAKKEL DATA SEQUENCE VKHLPQVAHE QSQVVYNAVK ECFDSYEREV SKRINDDIVS RKSELDNLVK DATA SEQUENCE QKQTREINRE SEFNRLKNLQ EDVIAQLQKI EAAYSNLLAY YSHH 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.100 176.094 0.010 0.000 1.182 2 V CA 0.000 62.305 62.300 0.009 0.000 1.235 2 V CB 0.000 31.827 31.823 0.006 0.000 1.184 3 N N 1.951 120.655 118.700 0.007 0.000 2.394 3 N HA 0.060 4.918 4.740 0.196 0.000 0.288 3 N C -0.019 175.496 175.510 0.008 0.000 1.272 3 N CA 0.586 53.640 53.050 0.007 0.000 1.004 3 N CB -0.160 38.330 38.487 0.005 0.000 1.393 3 N HN 0.815 nan 8.380 nan 0.000 0.488 4 Q N 4.046 123.854 119.800 0.012 0.000 2.344 4 Q HA 0.173 4.631 4.340 0.196 0.000 0.253 4 Q C -0.250 175.757 176.000 0.011 0.000 1.050 4 Q CA -0.822 54.990 55.803 0.015 0.000 0.912 4 Q CB 0.480 29.234 28.738 0.026 0.000 1.258 4 Q HN 0.543 nan 8.270 nan 0.000 0.443 5 V N 1.225 121.143 119.914 0.007 0.000 2.924 5 V HA 0.251 4.489 4.120 0.196 0.000 0.305 5 V C 1.146 177.241 176.094 0.002 0.000 1.073 5 V CA 0.458 62.759 62.300 0.002 0.000 1.098 5 V CB 0.806 32.627 31.823 -0.003 0.000 1.000 5 V HN 0.840 nan 8.190 nan 0.000 0.484 6 A N 2.163 124.978 122.820 -0.010 0.000 2.121 6 A HA -0.021 4.417 4.320 0.196 0.000 0.218 6 A C 1.952 179.529 177.584 -0.013 0.000 1.154 6 A CA 1.686 53.707 52.037 -0.026 0.000 0.679 6 A CB -1.003 17.957 19.000 -0.067 0.000 0.795 6 A HN 1.042 nan 8.150 nan 0.000 0.458 7 T N -0.118 114.436 114.554 0.000 0.000 2.995 7 T HA -0.069 4.399 4.350 0.196 0.000 0.269 7 T C 1.172 175.905 174.700 0.054 0.000 1.091 7 T CA 1.286 63.405 62.100 0.032 0.000 1.128 7 T CB -0.186 68.690 68.868 0.012 0.000 0.891 7 T HN 0.414 nan 8.240 nan 0.000 0.492 8 D N 1.322 121.739 120.400 0.029 0.000 2.149 8 D HA 0.056 4.813 4.640 0.196 0.000 0.206 8 D C 2.399 178.717 176.300 0.030 0.000 0.967 8 D CA 0.665 54.676 54.000 0.019 0.000 0.848 8 D CB -0.155 40.652 40.800 0.012 0.000 0.998 8 D HN 0.283 nan 8.370 nan 0.000 0.474 9 R N -0.064 120.462 120.500 0.043 0.000 2.103 9 R HA -0.169 4.289 4.340 0.196 0.000 0.242 9 R C 2.230 178.583 176.300 0.089 0.000 1.142 9 R CA 0.926 57.059 56.100 0.055 0.000 0.960 9 R CB -0.523 29.803 30.300 0.044 0.000 0.858 9 R HN 0.160 nan 8.270 nan 0.000 0.439 10 F N 1.801 121.687 119.950 -0.107 0.000 2.051 10 F HA -0.180 4.465 4.527 0.196 0.000 0.296 10 F C 2.203 177.922 175.800 -0.135 0.000 1.122 10 F CA 1.148 59.059 58.000 -0.147 0.000 1.201 10 F CB -0.422 38.472 39.000 -0.176 0.000 0.978 10 F HN -0.137 nan 8.300 nan 0.000 0.472 11 I N 0.270 120.784 120.570 -0.094 0.000 2.335 11 I HA -0.317 3.971 4.170 0.196 0.000 0.251 11 I C 2.279 178.297 176.117 -0.165 0.000 1.129 11 I CA 1.299 62.479 61.300 -0.201 0.000 1.402 11 I CB -1.409 36.525 38.000 -0.111 0.000 1.069 11 I HN 0.372 nan 8.210 nan 0.000 0.424 12 Q N 0.654 120.400 119.800 -0.091 0.000 1.917 12 Q HA -0.230 4.228 4.340 0.196 0.000 0.205 12 Q C 1.913 177.846 176.000 -0.111 0.000 0.988 12 Q CA 1.984 57.738 55.803 -0.082 0.000 0.851 12 Q CB -0.164 28.554 28.738 -0.033 0.000 0.916 12 Q HN 0.398 nan 8.270 nan 0.000 0.424 13 D N 0.459 120.813 120.400 -0.076 0.000 2.192 13 D HA -0.221 4.537 4.640 0.196 0.000 0.189 13 D C 1.769 177.991 176.300 -0.130 0.000 1.007 13 D CA 1.092 55.053 54.000 -0.066 0.000 0.859 13 D CB -0.362 40.431 40.800 -0.012 0.000 0.936 13 D HN 0.049 nan 8.370 nan 0.000 0.447 14 L N 0.742 121.819 121.223 -0.243 0.000 1.997 14 L HA -0.204 4.253 4.340 0.196 0.000 0.216 14 L C 2.270 179.027 176.870 -0.188 0.000 1.074 14 L CA 1.689 56.343 54.840 -0.310 0.000 0.763 14 L CB -1.013 40.735 42.059 -0.519 0.000 0.890 14 L HN 0.128 nan 8.230 nan 0.000 0.434 15 E N -0.935 119.157 120.200 -0.180 0.000 2.038 15 E HA -0.270 4.197 4.350 0.196 0.000 0.195 15 E C 2.420 178.945 176.600 -0.124 0.000 1.000 15 E CA 1.410 57.725 56.400 -0.142 0.000 0.803 15 E CB -0.137 29.483 29.700 -0.133 0.000 0.750 15 E HN 0.274 nan 8.360 nan 0.000 0.448 16 R N 0.186 120.603 120.500 -0.140 0.000 2.115 16 R HA -0.217 4.241 4.340 0.196 0.000 0.239 16 R C 2.260 178.487 176.300 -0.121 0.000 1.133 16 R CA 2.071 58.075 56.100 -0.161 0.000 0.935 16 R CB -0.668 29.498 30.300 -0.222 0.000 0.853 16 R HN 0.148 nan 8.270 nan 0.000 0.433 17 V N 1.237 121.106 119.914 -0.075 0.000 2.252 17 V HA -0.316 3.922 4.120 0.196 0.000 0.249 17 V C 2.554 178.633 176.094 -0.025 0.000 1.056 17 V CA 2.149 64.436 62.300 -0.020 0.000 1.022 17 V CB -0.980 30.884 31.823 0.069 0.000 0.641 17 V HN 0.654 nan 8.190 nan 0.000 0.445 18 A N -1.170 121.632 122.820 -0.030 0.000 2.042 18 A HA -0.346 4.091 4.320 0.196 0.000 0.222 18 A C 2.122 179.674 177.584 -0.053 0.000 1.167 18 A CA 2.371 54.386 52.037 -0.037 0.000 0.649 18 A CB -0.453 18.510 19.000 -0.061 0.000 0.809 18 A HN 0.733 nan 8.150 nan 0.000 0.457 19 Q N -0.969 118.790 119.800 -0.069 0.000 2.061 19 Q HA -0.032 4.425 4.340 0.196 0.000 0.195 19 Q C 2.175 178.137 176.000 -0.063 0.000 0.967 19 Q CA 1.245 57.006 55.803 -0.071 0.000 0.829 19 Q CB -0.339 28.346 28.738 -0.088 0.000 0.900 19 Q HN 0.461 nan 8.270 nan 0.000 0.450 20 V N 1.568 121.439 119.914 -0.071 0.000 2.282 20 V HA -0.346 3.892 4.120 0.196 0.000 0.249 20 V C 2.403 178.475 176.094 -0.037 0.000 1.057 20 V CA 2.322 64.586 62.300 -0.059 0.000 1.032 20 V CB -0.711 31.071 31.823 -0.069 0.000 0.645 20 V HN 0.346 nan 8.190 nan 0.000 0.447 21 R N 0.076 120.556 120.500 -0.033 0.000 2.094 21 R HA -0.238 4.219 4.340 0.196 0.000 0.239 21 R C 2.652 178.934 176.300 -0.031 0.000 1.137 21 R CA 2.253 58.336 56.100 -0.029 0.000 0.943 21 R CB -0.637 29.646 30.300 -0.029 0.000 0.850 21 R HN 0.490 nan 8.270 nan 0.000 0.433 22 S N 0.014 115.693 115.700 -0.034 0.000 2.359 22 S HA -0.216 4.372 4.470 0.196 0.000 0.224 22 S C 1.909 176.492 174.600 -0.029 0.000 1.035 22 S CA 1.737 59.918 58.200 -0.032 0.000 1.018 22 S CB -0.323 62.854 63.200 -0.037 0.000 0.876 22 S HN 0.541 nan 8.310 nan 0.000 0.448 23 E N -0.048 120.133 120.200 -0.032 0.000 2.110 23 E HA -0.153 4.314 4.350 0.196 0.000 0.193 23 E C 2.156 178.743 176.600 -0.023 0.000 0.988 23 E CA 1.315 57.697 56.400 -0.029 0.000 0.804 23 E CB -0.173 29.507 29.700 -0.033 0.000 0.745 23 E HN 0.603 nan 8.360 nan 0.000 0.458 24 M N -0.012 119.575 119.600 -0.022 0.000 2.132 24 M HA -0.145 4.452 4.480 0.196 0.000 0.263 24 M C 2.672 178.960 176.300 -0.020 0.000 1.065 24 M CA 1.231 56.520 55.300 -0.019 0.000 1.122 24 M CB -0.440 32.149 32.600 -0.019 0.000 1.365 24 M HN 0.084 nan 8.290 nan 0.000 0.411 25 S N 0.584 116.271 115.700 -0.021 0.000 2.374 25 S HA -0.143 4.445 4.470 0.196 0.000 0.227 25 S C 1.820 176.411 174.600 -0.014 0.000 1.037 25 S CA 1.638 59.828 58.200 -0.017 0.000 1.024 25 S CB -0.345 62.844 63.200 -0.017 0.000 0.861 25 S HN 0.280 nan 8.310 nan 0.000 0.456 26 V N 1.272 121.177 119.914 -0.016 0.000 2.233 26 V HA -0.250 3.988 4.120 0.196 0.000 0.247 26 V C 2.736 178.823 176.094 -0.012 0.000 1.050 26 V CA 2.092 64.383 62.300 -0.014 0.000 1.010 26 V CB -1.333 30.480 31.823 -0.016 0.000 0.637 26 V HN 0.705 nan 8.190 nan 0.000 0.444 27 C N -0.239 119.052 119.300 -0.014 0.000 2.413 27 C HA -0.158 4.420 4.460 0.196 0.000 0.276 27 C C 2.701 177.683 174.990 -0.012 0.000 1.248 27 C CA 0.851 59.861 59.018 -0.013 0.000 1.742 27 C CB -1.317 26.414 27.740 -0.015 0.000 2.017 27 C HN 0.529 nan 8.230 nan 0.000 0.481 28 L N 1.223 122.438 121.223 -0.012 0.000 2.013 28 L HA -0.202 4.256 4.340 0.196 0.000 0.212 28 L C 2.476 179.343 176.870 -0.005 0.000 1.073 28 L CA 1.600 56.434 54.840 -0.009 0.000 0.753 28 L CB -0.756 41.297 42.059 -0.010 0.000 0.890 28 L HN 0.493 nan 8.230 nan 0.000 0.432 29 N N 0.192 118.889 118.700 -0.005 0.000 2.039 29 N HA -0.221 4.637 4.740 0.196 0.000 0.193 29 N C 1.766 177.274 175.510 -0.004 0.000 1.044 29 N CA 1.255 54.303 53.050 -0.002 0.000 0.847 29 N CB -0.324 38.161 38.487 -0.003 0.000 1.030 29 N HN 0.270 nan 8.380 nan 0.000 0.422 30 K N 0.597 120.994 120.400 -0.006 0.000 2.089 30 K HA -0.168 4.269 4.320 0.196 0.000 0.210 30 K C 2.016 178.612 176.600 -0.007 0.000 1.048 30 K CA 1.049 57.332 56.287 -0.007 0.000 0.926 30 K CB -0.235 32.260 32.500 -0.009 0.000 0.714 30 K HN 0.003 nan 8.250 nan 0.000 0.448 31 L N 0.616 121.834 121.223 -0.007 0.000 2.017 31 L HA -0.110 4.347 4.340 0.196 0.000 0.208 31 L C 2.145 179.012 176.870 -0.004 0.000 1.073 31 L CA 2.166 57.001 54.840 -0.007 0.000 0.745 31 L CB -0.899 41.155 42.059 -0.007 0.000 0.894 31 L HN 0.226 nan 8.230 nan 0.000 0.432 32 A N -0.806 122.014 122.820 -0.000 0.000 1.877 32 A HA -0.228 4.209 4.320 0.196 0.000 0.216 32 A C 2.158 179.741 177.584 -0.000 0.000 1.186 32 A CA 1.769 53.807 52.037 0.003 0.000 0.620 32 A CB -0.676 18.327 19.000 0.006 0.000 0.822 32 A HN 0.598 nan 8.150 nan 0.000 0.443 33 E N -0.884 119.315 120.200 -0.002 0.000 2.118 33 E HA -0.139 4.329 4.350 0.196 0.000 0.195 33 E C 2.045 178.641 176.600 -0.006 0.000 0.992 33 E CA 1.629 58.027 56.400 -0.003 0.000 0.804 33 E CB -0.274 29.424 29.700 -0.004 0.000 0.741 33 E HN 0.616 nan 8.360 nan 0.000 0.458 34 T N 1.245 115.794 114.554 -0.009 0.000 2.737 34 T HA -0.080 4.388 4.350 0.196 0.000 0.265 34 T C 1.831 176.521 174.700 -0.016 0.000 1.038 34 T CA 0.665 62.758 62.100 -0.013 0.000 1.144 34 T CB -0.009 68.850 68.868 -0.015 0.000 0.866 34 T HN 0.076 nan 8.240 nan 0.000 0.434 35 I N 1.909 122.469 120.570 -0.015 0.000 2.394 35 I HA -0.101 4.187 4.170 0.196 0.000 0.251 35 I C 2.301 178.409 176.117 -0.016 0.000 1.136 35 I CA 1.202 62.490 61.300 -0.020 0.000 1.425 35 I CB -1.185 36.807 38.000 -0.014 0.000 1.079 35 I HN 0.249 nan 8.210 nan 0.000 0.425 36 N N 1.336 120.031 118.700 -0.009 0.000 2.080 36 N HA -0.154 4.704 4.740 0.196 0.000 0.189 36 N C 1.807 177.312 175.510 -0.008 0.000 1.036 36 N CA 1.379 54.425 53.050 -0.006 0.000 0.846 36 N CB 0.053 38.539 38.487 -0.002 0.000 1.015 36 N HN 0.191 nan 8.380 nan 0.000 0.423 37 K N -0.072 120.323 120.400 -0.009 0.000 2.032 37 K HA -0.083 4.355 4.320 0.196 0.000 0.209 37 K C 1.999 178.592 176.600 -0.011 0.000 1.048 37 K CA 1.295 57.577 56.287 -0.009 0.000 0.927 37 K CB -0.266 32.229 32.500 -0.008 0.000 0.712 37 K HN 0.245 nan 8.250 nan 0.000 0.441 38 A N 1.283 124.093 122.820 -0.017 0.000 1.933 38 A HA -0.217 4.221 4.320 0.196 0.000 0.218 38 A C 2.018 179.590 177.584 -0.021 0.000 1.175 38 A CA 1.730 53.754 52.037 -0.022 0.000 0.628 38 A CB -0.361 18.621 19.000 -0.031 0.000 0.814 38 A HN 0.234 nan 8.150 nan 0.000 0.444 39 E N -0.022 120.167 120.200 -0.019 0.000 2.106 39 E HA -0.059 4.408 4.350 0.196 0.000 0.192 39 E C 1.861 178.455 176.600 -0.010 0.000 0.984 39 E CA 0.828 57.218 56.400 -0.016 0.000 0.806 39 E CB -0.293 29.399 29.700 -0.014 0.000 0.750 39 E HN 0.631 nan 8.360 nan 0.000 0.458 40 L N -0.444 120.775 121.223 -0.007 0.000 2.093 40 L HA -0.081 4.377 4.340 0.196 0.000 0.208 40 L C 2.320 179.188 176.870 -0.004 0.000 1.085 40 L CA 1.021 55.859 54.840 -0.004 0.000 0.755 40 L CB -0.497 41.560 42.059 -0.003 0.000 0.904 40 L HN 0.156 nan 8.230 nan 0.000 0.435 41 A N 0.339 123.156 122.820 -0.006 0.000 2.121 41 A HA -0.054 4.384 4.320 0.196 0.000 0.218 41 A C 2.341 179.922 177.584 -0.005 0.000 1.154 41 A CA 1.259 53.293 52.037 -0.005 0.000 0.679 41 A CB -0.978 18.018 19.000 -0.007 0.000 0.795 41 A HN 0.449 nan 8.150 nan 0.000 0.458 42 G N 0.342 109.137 108.800 -0.007 0.000 2.514 42 G HA2 -0.310 3.767 3.960 0.196 0.000 0.217 42 G HA3 -0.310 3.767 3.960 0.196 0.000 0.217 42 G C 1.181 176.079 174.900 -0.003 0.000 1.198 42 G CA 1.172 46.268 45.100 -0.007 0.000 0.780 42 G HN 0.491 nan 8.290 nan 0.000 0.565 43 D N 0.578 120.977 120.400 -0.001 0.000 2.149 43 D HA -0.122 4.636 4.640 0.196 0.000 0.198 43 D C 2.850 179.151 176.300 0.001 0.000 0.990 43 D CA 1.588 55.588 54.000 0.001 0.000 0.839 43 D CB -0.260 40.541 40.800 0.001 0.000 0.948 43 D HN 0.490 nan 8.370 nan 0.000 0.460 44 S N -1.012 114.689 115.700 0.001 0.000 2.603 44 S HA 0.114 4.701 4.470 0.196 0.000 0.220 44 S C 1.133 175.734 174.600 0.003 0.000 0.967 44 S CA -0.142 58.059 58.200 0.002 0.000 0.920 44 S CB 0.466 63.667 63.200 0.002 0.000 0.773 44 S HN -0.051 nan 8.310 nan 0.000 0.529 45 S N 1.409 117.111 115.700 0.002 0.000 3.728 45 S HA 0.402 4.990 4.470 0.196 0.000 0.253 45 S C 0.672 175.275 174.600 0.004 0.000 1.032 45 S CA -0.103 58.100 58.200 0.004 0.000 1.323 45 S CB 0.481 63.682 63.200 0.002 0.000 1.223 45 S HN 0.506 nan 8.310 nan 0.000 0.728 46 S N 0.902 116.605 115.700 0.005 0.000 2.954 46 S HA 0.449 5.037 4.470 0.196 0.000 0.234 46 S C 0.837 175.438 174.600 0.002 0.000 0.978 46 S CA 0.149 58.352 58.200 0.005 0.000 1.045 46 S CB -1.548 61.657 63.200 0.008 0.000 0.807 46 S HN 1.616 nan 8.310 nan 0.000 0.508 47 G N 1.072 109.872 108.800 0.000 0.000 2.758 47 G HA2 -0.172 3.906 3.960 0.196 0.000 0.686 47 G HA3 -0.172 3.906 3.960 0.196 0.000 0.686 47 G C -0.692 174.206 174.900 -0.004 0.000 1.389 47 G CA -0.813 44.287 45.100 -0.000 0.000 0.845 47 G HN 0.542 nan 8.290 nan 0.000 0.572 48 K N -0.423 119.975 120.400 -0.003 0.000 2.230 48 K HA 0.353 4.791 4.320 0.196 0.000 0.253 48 K C 1.318 177.911 176.600 -0.011 0.000 1.008 48 K CA -0.230 56.052 56.287 -0.007 0.000 0.910 48 K CB 0.679 33.179 32.500 -0.001 0.000 0.994 48 K HN 0.382 nan 8.250 nan 0.000 0.495 49 L N 0.605 121.811 121.223 -0.028 0.000 2.554 49 L HA -0.009 4.449 4.340 0.196 0.000 0.225 49 L C 0.498 177.345 176.870 -0.038 0.000 1.104 49 L CA 0.079 54.891 54.840 -0.048 0.000 0.866 49 L CB 0.340 42.343 42.059 -0.093 0.000 1.047 49 L HN 0.832 nan 8.230 nan 0.000 0.468 50 S N 0.566 116.259 115.700 -0.011 0.000 3.886 50 S HA -0.138 4.449 4.470 0.196 0.000 0.398 50 S C 0.339 174.965 174.600 0.042 0.000 0.931 50 S CA 0.041 58.258 58.200 0.028 0.000 1.217 50 S CB -1.285 61.954 63.200 0.065 0.000 0.874 50 S HN 0.373 nan 8.310 nan 0.000 0.521 51 L N 1.064 122.287 121.223 0.001 0.000 2.928 51 L HA 0.324 4.782 4.340 0.196 0.000 0.246 51 L C 1.737 178.639 176.870 0.053 0.000 1.239 51 L CA -0.027 54.822 54.840 0.015 0.000 1.035 51 L CB 0.279 42.295 42.059 -0.071 0.000 1.360 51 L HN 0.363 nan 8.230 nan 0.000 0.529 52 E N 1.329 121.558 120.200 0.049 0.000 2.153 52 E HA -0.235 4.232 4.350 0.196 0.000 0.194 52 E C 2.161 178.782 176.600 0.035 0.000 0.988 52 E CA 1.248 57.668 56.400 0.033 0.000 0.811 52 E CB 0.164 29.878 29.700 0.023 0.000 0.746 52 E HN 0.231 nan 8.360 nan 0.000 0.466 53 R N 0.670 121.198 120.500 0.047 0.000 2.096 53 R HA -0.110 4.348 4.340 0.196 0.000 0.235 53 R C 1.317 177.640 176.300 0.038 0.000 1.127 53 R CA 2.147 58.259 56.100 0.019 0.000 0.968 53 R CB -0.500 29.803 30.300 0.004 0.000 0.861 53 R HN 0.246 nan 8.270 nan 0.000 0.440 54 D N -0.382 120.068 120.400 0.083 0.000 2.123 54 D HA -0.055 4.703 4.640 0.196 0.000 0.200 54 D C 1.774 178.108 176.300 0.057 0.000 0.976 54 D CA 1.515 55.568 54.000 0.088 0.000 0.831 54 D CB -0.010 40.866 40.800 0.128 0.000 0.974 54 D HN 0.218 nan 8.370 nan 0.000 0.469 55 I N 1.250 121.846 120.570 0.043 0.000 2.099 55 I HA -0.295 3.992 4.170 0.196 0.000 0.239 55 I C 2.227 178.360 176.117 0.026 0.000 1.066 55 I CA 1.413 62.729 61.300 0.027 0.000 1.324 55 I CB -0.433 37.578 38.000 0.018 0.000 1.037 55 I HN 0.076 nan 8.210 nan 0.000 0.401 56 E N 0.972 121.185 120.200 0.022 0.000 2.013 56 E HA -0.280 4.188 4.350 0.196 0.000 0.202 56 E C 1.868 178.486 176.600 0.031 0.000 1.018 56 E CA 1.888 58.299 56.400 0.017 0.000 0.834 56 E CB -0.315 29.386 29.700 0.001 0.000 0.770 56 E HN 0.432 nan 8.360 nan 0.000 0.459 57 D N 0.707 121.131 120.400 0.040 0.000 2.157 57 D HA -0.199 4.559 4.640 0.196 0.000 0.191 57 D C 1.958 178.309 176.300 0.086 0.000 1.004 57 D CA 1.040 55.092 54.000 0.088 0.000 0.854 57 D CB -0.353 40.530 40.800 0.138 0.000 0.936 57 D HN 0.173 nan 8.370 nan 0.000 0.446 58 I N 0.426 121.034 120.570 0.062 0.000 2.286 58 I HA -0.244 4.044 4.170 0.196 0.000 0.248 58 I C 2.231 178.366 176.117 0.029 0.000 1.115 58 I CA 1.023 62.348 61.300 0.041 0.000 1.392 58 I CB -0.181 37.837 38.000 0.030 0.000 1.065 58 I HN 0.028 nan 8.210 nan 0.000 0.418 59 T N 0.976 115.547 114.554 0.029 0.000 2.737 59 T HA -0.122 4.346 4.350 0.196 0.000 0.265 59 T C 1.809 176.524 174.700 0.026 0.000 1.038 59 T CA 1.275 63.388 62.100 0.022 0.000 1.144 59 T CB -0.090 68.790 68.868 0.019 0.000 0.866 59 T HN 0.076 nan 8.240 nan 0.000 0.434 60 I N 1.784 122.376 120.570 0.036 0.000 2.142 60 I HA -0.119 4.168 4.170 0.196 0.000 0.240 60 I C 2.720 178.859 176.117 0.037 0.000 1.078 60 I CA 1.077 62.402 61.300 0.042 0.000 1.343 60 I CB -1.011 37.025 38.000 0.061 0.000 1.046 60 I HN 0.166 nan 8.210 nan 0.000 0.405 61 A N -0.816 122.028 122.820 0.040 0.000 1.927 61 A HA -0.316 4.122 4.320 0.196 0.000 0.220 61 A C 2.556 180.141 177.584 0.001 0.000 1.185 61 A CA 2.604 54.651 52.037 0.016 0.000 0.639 61 A CB -1.180 17.827 19.000 0.012 0.000 0.820 61 A HN 0.437 nan 8.150 nan 0.000 0.451 62 S N -0.741 114.962 115.700 0.005 0.000 2.345 62 S HA -0.155 4.432 4.470 0.196 0.000 0.220 62 S C 2.021 176.621 174.600 0.001 0.000 1.031 62 S CA 1.639 59.838 58.200 -0.001 0.000 0.996 62 S CB -0.310 62.891 63.200 0.001 0.000 0.882 62 S HN 0.609 nan 8.310 nan 0.000 0.445 63 K N 1.068 121.473 120.400 0.010 0.000 2.160 63 K HA -0.090 4.348 4.320 0.196 0.000 0.206 63 K C 1.933 178.541 176.600 0.013 0.000 1.047 63 K CA 1.515 57.810 56.287 0.013 0.000 0.930 63 K CB -0.271 32.241 32.500 0.020 0.000 0.720 63 K HN 0.347 nan 8.250 nan 0.000 0.450 64 N N 1.033 119.739 118.700 0.011 0.000 2.142 64 N HA -0.113 4.745 4.740 0.196 0.000 0.186 64 N C 1.840 177.344 175.510 -0.011 0.000 1.023 64 N CA 0.946 54.000 53.050 0.005 0.000 0.852 64 N CB -0.189 38.298 38.487 -0.001 0.000 0.998 64 N HN 0.135 nan 8.380 nan 0.000 0.424 65 L N 1.354 122.566 121.223 -0.019 0.000 2.127 65 L HA -0.195 4.263 4.340 0.196 0.000 0.211 65 L C 2.349 179.205 176.870 -0.023 0.000 1.089 65 L CA 1.185 56.007 54.840 -0.030 0.000 0.757 65 L CB -0.158 41.883 42.059 -0.030 0.000 0.899 65 L HN 0.225 nan 8.230 nan 0.000 0.434 66 Q N -0.784 119.010 119.800 -0.010 0.000 2.062 66 Q HA -0.192 4.266 4.340 0.196 0.000 0.196 66 Q C 1.778 177.779 176.000 0.003 0.000 0.967 66 Q CA 1.028 56.828 55.803 -0.005 0.000 0.832 66 Q CB -0.045 28.693 28.738 0.001 0.000 0.899 66 Q HN 0.538 nan 8.270 nan 0.000 0.442 67 Q N 0.576 120.383 119.800 0.012 0.000 2.491 67 Q HA 0.066 4.524 4.340 0.196 0.000 0.214 67 Q C 0.346 176.360 176.000 0.024 0.000 0.970 67 Q CA -0.060 55.759 55.803 0.027 0.000 0.960 67 Q CB 0.042 28.802 28.738 0.037 0.000 0.996 67 Q HN 0.183 nan 8.270 nan 0.000 0.524 68 G N 0.479 109.277 108.800 -0.003 0.000 2.441 68 G HA2 0.335 4.413 3.960 0.196 0.000 0.243 68 G HA3 0.335 4.413 3.960 0.196 0.000 0.243 68 G C -0.904 173.984 174.900 -0.019 0.000 1.281 68 G CA -0.122 44.958 45.100 -0.033 0.000 0.854 68 G HN 0.120 nan 8.290 nan 0.000 0.560 69 V N 2.068 121.959 119.914 -0.039 0.000 3.177 69 V HA 0.525 4.763 4.120 0.196 0.000 0.287 69 V C -1.617 174.473 176.094 -0.007 0.000 1.465 69 V CA -1.096 61.225 62.300 0.035 0.000 1.020 69 V CB 1.764 33.655 31.823 0.114 0.000 1.152 69 V HN 0.626 nan 8.190 nan 0.000 0.448 70 F N 4.495 124.435 119.950 -0.016 0.000 2.411 70 F HA 0.651 5.295 4.527 0.196 0.000 0.355 70 F C 0.517 176.443 175.800 0.211 0.000 1.117 70 F CA -0.144 57.816 58.000 -0.065 0.000 1.139 70 F CB 1.071 39.993 39.000 -0.129 0.000 1.120 70 F HN 0.369 nan 8.300 nan 0.000 0.493 71 R N 4.479 125.361 120.500 0.637 0.000 2.346 71 R HA 0.668 5.126 4.340 0.196 0.000 0.311 71 R C -1.560 174.958 176.300 0.363 0.000 0.983 71 R CA -0.502 55.840 56.100 0.403 0.000 0.880 71 R CB 0.725 31.212 30.300 0.312 0.000 1.100 71 R HN 0.738 nan 8.270 nan 0.000 0.453 72 L N 5.516 126.879 121.223 0.234 0.000 2.333 72 L HA 0.414 4.872 4.340 0.196 0.000 0.280 72 L C -0.961 175.968 176.870 0.098 0.000 1.004 72 L CA -1.181 53.776 54.840 0.194 0.000 0.820 72 L CB 1.803 43.975 42.059 0.189 0.000 1.247 72 L HN 0.477 nan 8.230 nan 0.000 0.416 73 L N 5.059 126.330 121.223 0.080 0.000 2.255 73 L HA 0.402 4.860 4.340 0.196 0.000 0.289 73 L C -0.469 176.410 176.870 0.014 0.000 1.046 73 L CA -0.090 54.758 54.840 0.013 0.000 0.816 73 L CB 1.402 43.475 42.059 0.023 0.000 1.197 73 L HN 0.282 nan 8.230 nan 0.000 0.427 74 V N 7.176 127.083 119.914 -0.012 0.000 2.320 74 V HA 0.324 4.562 4.120 0.196 0.000 0.265 74 V C 0.439 176.464 176.094 -0.114 0.000 1.048 74 V CA -0.426 61.864 62.300 -0.017 0.000 0.865 74 V CB 0.522 32.382 31.823 0.061 0.000 1.043 74 V HN 0.610 nan 8.190 nan 0.000 0.474 75 L N 3.866 124.966 121.223 -0.205 0.000 2.387 75 L HA 1.003 5.460 4.340 0.196 0.000 0.266 75 L C 0.653 177.159 176.870 -0.606 0.000 1.059 75 L CA -0.367 54.233 54.840 -0.401 0.000 0.801 75 L CB 1.741 43.509 42.059 -0.485 0.000 1.223 75 L HN 0.734 nan 8.230 nan 0.000 0.456 76 G N 0.041 108.441 108.800 -0.668 0.000 2.402 76 G HA2 0.141 4.218 3.960 0.196 0.000 0.301 76 G HA3 0.141 4.218 3.960 0.196 0.000 0.301 76 G C -1.724 172.950 174.900 -0.378 0.000 1.615 76 G CA -0.644 44.094 45.100 -0.602 0.000 0.889 76 G HN 0.429 nan 8.290 nan 0.000 0.647 77 D N 0.051 120.278 120.400 -0.288 0.000 2.356 77 D HA 0.418 5.176 4.640 0.196 0.000 0.258 77 D C 1.068 177.321 176.300 -0.080 0.000 1.279 77 D CA -0.314 53.603 54.000 -0.137 0.000 1.016 77 D CB 0.345 41.108 40.800 -0.061 0.000 1.107 77 D HN 0.202 nan 8.370 nan 0.000 0.544 78 M N 1.137 120.718 119.600 -0.032 0.000 2.219 78 M HA 0.061 4.659 4.480 0.196 0.000 0.353 78 M C 0.418 176.716 176.300 -0.003 0.000 1.304 78 M CA 0.155 55.449 55.300 -0.011 0.000 1.115 78 M CB -0.070 32.534 32.600 0.007 0.000 1.664 78 M HN 0.264 nan 8.290 nan 0.000 0.459 79 K N 1.852 122.254 120.400 0.003 0.000 3.451 79 K HA -0.209 4.229 4.320 0.196 0.000 0.273 79 K C 0.464 177.072 176.600 0.014 0.000 0.944 79 K CA 0.318 56.613 56.287 0.014 0.000 0.734 79 K CB -0.887 31.625 32.500 0.020 0.000 1.437 79 K HN 0.595 nan 8.250 nan 0.000 0.454 80 R N -0.965 119.535 120.500 0.000 0.000 2.250 80 R HA 0.123 4.581 4.340 0.196 0.000 0.194 80 R C 1.621 177.930 176.300 0.015 0.000 0.927 80 R CA 1.196 57.297 56.100 0.001 0.000 1.052 80 R CB 0.509 30.785 30.300 -0.039 0.000 1.055 80 R HN 0.595 nan 8.270 nan 0.000 0.537 81 G N 0.441 109.256 108.800 0.025 0.000 2.370 81 G HA2 -0.209 3.868 3.960 0.196 0.000 0.174 81 G HA3 -0.209 3.868 3.960 0.196 0.000 0.174 81 G C 0.913 175.882 174.900 0.116 0.000 1.002 81 G CA 0.216 45.360 45.100 0.073 0.000 0.730 81 G HN 0.200 nan 8.290 nan 0.000 0.497 82 K N 0.818 121.252 120.400 0.056 0.000 2.097 82 K HA -0.209 4.229 4.320 0.196 0.000 0.214 82 K C 2.564 179.275 176.600 0.186 0.000 1.052 82 K CA 2.373 58.723 56.287 0.104 0.000 0.932 82 K CB -0.280 32.224 32.500 0.007 0.000 0.716 82 K HN 0.365 nan 8.250 nan 0.000 0.455 83 S N -0.604 115.163 115.700 0.113 0.000 2.344 83 S HA -0.138 4.449 4.470 0.196 0.000 0.217 83 S C 1.874 176.535 174.600 0.101 0.000 1.033 83 S CA 2.112 60.369 58.200 0.094 0.000 1.017 83 S CB -0.498 62.744 63.200 0.071 0.000 0.941 83 S HN 0.465 nan 8.310 nan 0.000 0.430 84 T N 1.819 116.439 114.554 0.110 0.000 2.720 84 T HA -0.105 4.363 4.350 0.196 0.000 0.268 84 T C 1.372 176.162 174.700 0.150 0.000 1.037 84 T CA 1.574 63.735 62.100 0.102 0.000 1.144 84 T CB -0.590 68.339 68.868 0.102 0.000 0.864 84 T HN 0.504 nan 8.240 nan 0.000 0.444 85 F N 1.852 121.851 119.950 0.083 0.000 2.043 85 F HA -0.111 4.533 4.527 0.196 0.000 0.297 85 F C 1.954 177.847 175.800 0.155 0.000 1.121 85 F CA 1.250 59.346 58.000 0.159 0.000 1.199 85 F CB -0.770 38.280 39.000 0.083 0.000 0.968 85 F HN 0.059 nan 8.300 nan 0.000 0.478 86 L N 0.419 121.584 121.223 -0.096 0.000 2.012 86 L HA -0.317 4.141 4.340 0.196 0.000 0.210 86 L C 2.463 179.226 176.870 -0.178 0.000 1.073 86 L CA 1.650 56.354 54.840 -0.226 0.000 0.748 86 L CB -1.007 41.029 42.059 -0.038 0.000 0.891 86 L HN 0.244 nan 8.230 nan 0.000 0.431 87 N N 0.264 118.906 118.700 -0.096 0.000 2.061 87 N HA -0.229 4.629 4.740 0.196 0.000 0.193 87 N C 1.845 177.276 175.510 -0.130 0.000 1.030 87 N CA 1.799 54.787 53.050 -0.103 0.000 0.856 87 N CB -0.392 38.057 38.487 -0.064 0.000 1.023 87 N HN 0.382 nan 8.380 nan 0.000 0.424 88 A N 2.071 124.806 122.820 -0.142 0.000 1.883 88 A HA -0.096 4.341 4.320 0.196 0.000 0.217 88 A C 2.370 179.833 177.584 -0.202 0.000 1.186 88 A CA 0.904 52.802 52.037 -0.233 0.000 0.624 88 A CB -0.841 17.940 19.000 -0.364 0.000 0.822 88 A HN 0.260 nan 8.150 nan 0.000 0.444 89 L N 0.131 121.262 121.223 -0.153 0.000 1.970 89 L HA -0.154 4.304 4.340 0.196 0.000 0.212 89 L C 2.189 179.013 176.870 -0.075 0.000 1.071 89 L CA 2.389 57.173 54.840 -0.093 0.000 0.751 89 L CB -0.345 41.528 42.059 -0.309 0.000 0.889 89 L HN 0.677 nan 8.230 nan 0.000 0.432 90 I N -2.286 118.223 120.570 -0.102 0.000 3.752 90 I HA 0.217 4.505 4.170 0.196 0.000 0.313 90 I C 1.099 177.169 176.117 -0.077 0.000 1.304 90 I CA 0.416 61.673 61.300 -0.071 0.000 1.171 90 I CB -1.036 36.913 38.000 -0.084 0.000 1.038 90 I HN 0.367 nan 8.210 nan 0.000 0.427 91 G N 1.495 110.242 108.800 -0.089 0.000 2.422 91 G HA2 -0.253 3.825 3.960 0.196 0.000 0.301 91 G HA3 -0.253 3.825 3.960 0.196 0.000 0.301 91 G C -0.126 174.727 174.900 -0.078 0.000 0.981 91 G CA 0.602 45.650 45.100 -0.086 0.000 0.994 91 G HN 0.678 nan 8.290 nan 0.000 0.514 92 E N -1.163 118.977 120.200 -0.100 0.000 2.429 92 E HA 0.245 4.713 4.350 0.196 0.000 0.276 92 E C -0.380 176.156 176.600 -0.106 0.000 0.953 92 E CA -0.983 55.356 56.400 -0.102 0.000 0.787 92 E CB 0.929 30.539 29.700 -0.151 0.000 1.307 92 E HN 0.198 nan 8.360 nan 0.000 0.458 93 N N 1.590 120.238 118.700 -0.087 0.000 3.131 93 N HA 0.169 5.026 4.740 0.196 0.000 0.312 93 N C 0.769 176.228 175.510 -0.085 0.000 1.433 93 N CA 0.010 53.020 53.050 -0.066 0.000 1.141 93 N CB 0.208 38.674 38.487 -0.035 0.000 1.431 93 N HN 0.367 nan 8.380 nan 0.000 0.523 94 L N 0.881 122.014 121.223 -0.151 0.000 1.971 94 L HA 0.139 4.597 4.340 0.196 0.000 0.208 94 L C 0.051 176.877 176.870 -0.074 0.000 1.083 94 L CA 0.784 55.483 54.840 -0.234 0.000 0.753 94 L CB -0.024 41.789 42.059 -0.411 0.000 0.893 94 L HN 0.277 nan 8.230 nan 0.000 0.436 95 L N 1.502 122.723 121.223 -0.003 0.000 2.485 95 L HA 0.090 4.548 4.340 0.196 0.000 0.275 95 L C -1.976 174.962 176.870 0.113 0.000 1.207 95 L CA -1.000 53.913 54.840 0.121 0.000 0.855 95 L CB -0.637 41.475 42.059 0.088 0.000 1.114 95 L HN 0.175 nan 8.230 nan 0.000 0.485 96 P HA 0.094 nan 4.420 nan 0.000 0.269 96 P C -0.624 176.722 177.300 0.076 0.000 1.252 96 P CA -0.122 63.046 63.100 0.114 0.000 0.780 96 P CB 0.808 32.580 31.700 0.120 0.000 0.829 104 A N 1.651 124.486 122.820 0.026 0.000 3.282 104 A HA 0.759 5.197 4.320 0.196 0.000 0.287 104 A C 0.151 177.801 177.584 0.110 0.000 1.366 104 A CA -0.632 51.466 52.037 0.103 0.000 1.069 104 A CB 0.122 19.246 19.000 0.207 0.000 1.109 104 A HN 0.914 nan 8.150 nan 0.000 0.638 105 V N 0.526 120.471 119.914 0.051 0.000 2.915 105 V HA 0.208 4.446 4.120 0.196 0.000 0.273 105 V C -1.123 174.990 176.094 0.031 0.000 1.538 105 V CA -0.817 61.504 62.300 0.035 0.000 0.946 105 V CB 1.366 33.144 31.823 -0.075 0.000 1.183 105 V HN 0.604 nan 8.190 nan 0.000 0.446 106 L N 6.082 127.330 121.223 0.042 0.000 2.706 106 L HA 0.333 4.791 4.340 0.196 0.000 0.282 106 L C 0.562 177.441 176.870 0.015 0.000 1.219 106 L CA 2.061 56.909 54.840 0.013 0.000 0.935 106 L CB 0.546 42.634 42.059 0.049 0.000 1.204 106 L HN 0.990 nan 8.230 nan 0.000 0.491 107 T N 2.409 116.947 114.554 -0.026 0.000 2.841 107 T HA 0.618 5.085 4.350 0.196 0.000 0.285 107 T C -0.508 174.141 174.700 -0.085 0.000 0.991 107 T CA -0.891 61.205 62.100 -0.007 0.000 0.966 107 T CB 1.294 70.202 68.868 0.067 0.000 0.962 107 T HN 0.265 nan 8.240 nan 0.000 0.438 108 V N 4.477 124.331 119.914 -0.100 0.000 2.348 108 V HA 0.402 4.640 4.120 0.196 0.000 0.270 108 V C -0.164 175.898 176.094 -0.054 0.000 1.037 108 V CA -0.789 61.428 62.300 -0.139 0.000 0.872 108 V CB 0.860 32.567 31.823 -0.193 0.000 1.002 108 V HN 0.852 nan 8.190 nan 0.000 0.464 109 L N 8.009 129.212 121.223 -0.033 0.000 2.255 109 L HA 0.606 5.064 4.340 0.196 0.000 0.289 109 L C 0.279 177.164 176.870 0.026 0.000 1.046 109 L CA 0.226 55.069 54.840 0.004 0.000 0.816 109 L CB 0.347 42.406 42.059 -0.000 0.000 1.197 109 L HN 0.809 nan 8.230 nan 0.000 0.427 110 R N 2.960 123.486 120.500 0.043 0.000 2.867 110 R HA 0.421 4.879 4.340 0.196 0.000 0.268 110 R C -1.091 175.269 176.300 0.099 0.000 1.014 110 R CA -1.001 55.147 56.100 0.080 0.000 0.946 110 R CB 0.794 31.138 30.300 0.073 0.000 1.208 110 R HN 0.354 nan 8.270 nan 0.000 0.477 111 Y N 0.414 120.740 120.300 0.043 0.000 2.597 111 Y HA 0.392 5.059 4.550 0.196 0.000 0.336 111 Y C 0.053 175.975 175.900 0.036 0.000 1.216 111 Y CA 1.674 59.800 58.100 0.043 0.000 1.463 111 Y CB 0.925 39.400 38.460 0.025 0.000 1.303 111 Y HN 0.889 nan 8.280 nan 0.000 0.576 112 G N 5.274 113.479 108.800 -0.991 0.000 2.703 112 G HA2 0.379 4.457 3.960 0.196 0.000 0.294 112 G HA3 0.379 4.457 3.960 0.196 0.000 0.294 112 G C -2.911 171.537 174.900 -0.752 0.000 1.451 112 G CA -1.232 43.502 45.100 -0.610 0.000 0.869 112 G HN 0.350 nan 8.290 nan 0.000 0.516 113 P HA 0.035 nan 4.420 nan 0.000 0.214 113 P C 0.310 177.473 177.300 -0.229 0.000 1.162 113 P CA 0.998 63.958 63.100 -0.234 0.000 0.874 113 P CB 0.355 32.003 31.700 -0.088 0.000 0.784 114 E N -0.231 119.856 120.200 -0.188 0.000 2.202 114 E HA 0.250 4.718 4.350 0.196 0.000 0.272 114 E C -0.452 176.037 176.600 -0.185 0.000 0.951 114 E CA -0.887 55.411 56.400 -0.170 0.000 0.813 114 E CB 1.173 30.813 29.700 -0.100 0.000 1.151 114 E HN -0.000 nan 8.360 nan 0.000 0.398 115 K N 2.750 123.026 120.400 -0.207 0.000 2.307 115 K HA 0.065 4.503 4.320 0.196 0.000 0.285 115 K C -0.101 176.482 176.600 -0.028 0.000 1.073 115 K CA 0.405 56.600 56.287 -0.154 0.000 0.996 115 K CB 0.271 32.660 32.500 -0.187 0.000 0.994 115 K HN 0.263 nan 8.250 nan 0.000 0.452 116 K N 1.550 121.944 120.400 -0.010 0.000 2.395 116 K HA 0.544 4.982 4.320 0.196 0.000 0.245 116 K C -1.317 175.280 176.600 -0.005 0.000 1.017 116 K CA -0.873 55.415 56.287 0.002 0.000 0.852 116 K CB 1.761 34.248 32.500 -0.022 0.000 1.311 116 K HN 0.179 nan 8.250 nan 0.000 0.452 117 V N 2.188 122.068 119.914 -0.058 0.000 2.757 117 V HA 0.137 4.375 4.120 0.196 0.000 0.262 117 V C -0.715 175.257 176.094 -0.203 0.000 0.971 117 V CA -0.888 61.289 62.300 -0.205 0.000 0.906 117 V CB 1.132 32.703 31.823 -0.419 0.000 1.056 117 V HN 0.972 nan 8.190 nan 0.000 0.489 118 T N 2.343 116.821 114.554 -0.126 0.000 2.875 118 T HA 0.823 5.291 4.350 0.196 0.000 0.284 118 T C -0.359 174.273 174.700 -0.112 0.000 0.995 118 T CA -0.539 61.509 62.100 -0.088 0.000 1.060 118 T CB 2.170 71.030 68.868 -0.013 0.000 0.967 118 T HN 0.691 nan 8.240 nan 0.000 0.476 119 I N 1.766 122.215 120.570 -0.202 0.000 2.447 119 I HA 0.497 4.785 4.170 0.196 0.000 0.287 119 I C -1.331 174.432 176.117 -0.590 0.000 1.023 119 I CA -1.064 60.024 61.300 -0.353 0.000 1.083 119 I CB 1.147 38.839 38.000 -0.513 0.000 1.245 119 I HN 0.703 nan 8.210 nan 0.000 0.434 120 H N 7.176 125.800 119.070 -0.744 0.000 2.620 120 H HA 0.450 5.124 4.556 0.196 0.000 0.313 120 H C -0.820 174.081 175.328 -0.711 0.000 1.075 120 H CA -0.100 55.528 56.048 -0.701 0.000 1.397 120 H CB 0.656 29.905 29.762 -0.855 0.000 1.446 120 H HN 0.440 nan 8.280 nan 0.000 0.493 121 F N 1.183 121.070 119.950 -0.105 0.000 2.321 121 F HA 0.209 4.854 4.527 0.196 0.000 0.318 121 F C 1.745 177.527 175.800 -0.030 0.000 1.129 121 F CA -0.474 57.495 58.000 -0.053 0.000 1.074 121 F CB 0.696 39.686 39.000 -0.017 0.000 1.432 121 F HN 0.640 nan 8.300 nan 0.000 0.502 122 N N -0.266 118.582 118.700 0.246 0.000 2.104 122 N HA -0.074 4.784 4.740 0.196 0.000 0.227 122 N C 0.490 176.072 175.510 0.120 0.000 1.321 122 N CA 0.464 53.599 53.050 0.142 0.000 0.877 122 N CB -0.350 38.209 38.487 0.121 0.000 1.117 122 N HN 0.664 nan 8.380 nan 0.000 0.486 123 D N 0.530 121.007 120.400 0.129 0.000 2.363 123 D HA 0.129 4.886 4.640 0.196 0.000 0.226 123 D C 1.201 177.520 176.300 0.031 0.000 1.020 123 D CA 1.268 55.309 54.000 0.068 0.000 0.892 123 D CB 0.061 40.891 40.800 0.050 0.000 0.900 123 D HN 0.495 nan 8.370 nan 0.000 0.531 124 G N 0.571 109.400 108.800 0.048 0.000 2.905 124 G HA2 -0.243 3.835 3.960 0.196 0.000 0.199 124 G HA3 -0.243 3.835 3.960 0.196 0.000 0.199 124 G C -0.134 174.774 174.900 0.013 0.000 1.370 124 G CA -0.189 44.925 45.100 0.022 0.000 0.966 124 G HN 0.387 nan 8.290 nan 0.000 0.522 125 K N 1.595 121.955 120.400 -0.067 0.000 2.572 125 K HA 0.204 4.642 4.320 0.196 0.000 0.273 125 K C 0.559 177.190 176.600 0.052 0.000 0.990 125 K CA 0.889 57.101 56.287 -0.124 0.000 1.097 125 K CB 0.326 32.497 32.500 -0.550 0.000 0.819 125 K HN 0.390 nan 8.250 nan 0.000 0.482 126 S N 2.940 118.663 115.700 0.037 0.000 2.565 126 S HA 0.157 4.745 4.470 0.196 0.000 0.276 126 S C -2.213 172.452 174.600 0.108 0.000 1.326 126 S CA -1.581 56.653 58.200 0.056 0.000 1.045 126 S CB 0.397 63.606 63.200 0.017 0.000 0.918 126 S HN 0.273 nan 8.310 nan 0.000 0.505 127 P HA -0.081 nan 4.420 nan 0.000 0.238 127 P C 0.217 177.479 177.300 -0.063 0.000 1.090 127 P CA 0.588 63.577 63.100 -0.185 0.000 0.944 127 P CB -0.026 31.390 31.700 -0.473 0.000 0.881 128 Q N 3.127 122.993 119.800 0.108 0.000 2.483 128 Q HA 0.017 4.475 4.340 0.196 0.000 0.527 128 Q C 0.093 176.108 176.000 0.027 0.000 1.124 128 Q CA 0.664 56.555 55.803 0.147 0.000 1.021 128 Q CB 0.234 29.195 28.738 0.373 0.000 2.953 128 Q HN 0.356 nan 8.270 nan 0.000 0.488 129 Q N -1.582 118.252 119.800 0.056 0.000 2.805 129 Q HA 0.460 4.918 4.340 0.196 0.000 0.257 129 Q C -2.272 173.765 176.000 0.061 0.000 0.977 129 Q CA -0.240 55.576 55.803 0.023 0.000 0.901 129 Q CB 0.531 29.279 28.738 0.016 0.000 1.778 129 Q HN 0.470 nan 8.270 nan 0.000 0.441 130 L N 0.918 122.167 121.223 0.044 0.000 2.910 130 L HA 0.677 5.135 4.340 0.196 0.000 0.271 130 L C -1.578 175.337 176.870 0.076 0.000 1.056 130 L CA -0.531 54.362 54.840 0.089 0.000 1.006 130 L CB 1.297 43.458 42.059 0.169 0.000 1.589 130 L HN 0.858 nan 8.230 nan 0.000 0.365 131 D N -1.054 119.421 120.400 0.125 0.000 2.787 131 D HA 0.216 4.974 4.640 0.196 0.000 0.246 131 D C 0.566 177.008 176.300 0.237 0.000 1.150 131 D CA -0.599 53.490 54.000 0.147 0.000 0.864 131 D CB 1.412 42.289 40.800 0.128 0.000 1.481 131 D HN 0.365 nan 8.370 nan 0.000 0.509 132 F N 1.849 121.883 119.950 0.140 0.000 2.176 132 F HA -0.298 4.347 4.527 0.197 0.000 0.301 132 F C 2.167 178.112 175.800 0.242 0.000 1.071 132 F CA 1.967 60.110 58.000 0.239 0.000 1.289 132 F CB 0.030 39.144 39.000 0.191 0.000 1.028 132 F HN 0.426 nan 8.300 nan 0.000 0.494 133 Q N -0.372 119.650 119.800 0.369 0.000 2.002 133 Q HA -0.287 4.170 4.340 0.196 0.000 0.204 133 Q C 2.142 178.247 176.000 0.176 0.000 0.988 133 Q CA 2.088 58.047 55.803 0.260 0.000 0.843 133 Q CB -0.723 28.123 28.738 0.181 0.000 0.908 133 Q HN 0.609 nan 8.270 nan 0.000 0.420 134 N N -0.462 118.340 118.700 0.169 0.000 2.250 134 N HA -0.120 4.738 4.740 0.196 0.000 0.181 134 N C 1.718 177.315 175.510 0.145 0.000 1.017 134 N CA 0.276 53.425 53.050 0.166 0.000 0.866 134 N CB 0.011 38.591 38.487 0.155 0.000 0.985 134 N HN 0.127 nan 8.380 nan 0.000 0.429 135 F N 2.551 122.491 119.950 -0.017 0.000 2.161 135 F HA -0.156 4.489 4.527 0.196 0.000 0.300 135 F C 2.334 178.030 175.800 -0.174 0.000 1.089 135 F CA 1.432 59.389 58.000 -0.072 0.000 1.282 135 F CB -0.279 38.636 39.000 -0.141 0.000 1.010 135 F HN -0.104 nan 8.300 nan 0.000 0.485 136 K N -1.259 118.919 120.400 -0.369 0.000 2.152 136 K HA -0.273 4.165 4.320 0.196 0.000 0.206 136 K C 2.104 178.576 176.600 -0.213 0.000 1.048 136 K CA 1.779 57.811 56.287 -0.426 0.000 0.933 136 K CB -0.542 31.830 32.500 -0.212 0.000 0.721 136 K HN 0.506 nan 8.250 nan 0.000 0.447 137 Y N 0.687 120.856 120.300 -0.218 0.000 2.389 137 Y HA 0.097 4.765 4.550 0.197 0.000 0.292 137 Y C 1.381 177.157 175.900 -0.207 0.000 1.117 137 Y CA 1.036 59.044 58.100 -0.155 0.000 1.195 137 Y CB 0.298 38.709 38.460 -0.081 0.000 1.076 137 Y HN -0.116 nan 8.280 nan 0.000 0.548 138 K N -0.815 119.272 120.400 -0.521 0.000 2.217 138 K HA -0.067 4.370 4.320 0.196 0.000 0.202 138 K C -0.617 175.400 176.600 -0.971 0.000 1.051 138 K CA 0.876 56.719 56.287 -0.741 0.000 0.952 138 K CB 0.005 32.176 32.500 -0.549 0.000 0.736 138 K HN 0.193 nan 8.250 nan 0.000 0.453 139 Y N 0.960 120.848 120.300 -0.687 0.000 2.748 139 Y HA 0.170 4.838 4.550 0.196 0.000 0.359 139 Y C -0.334 175.242 175.900 -0.540 0.000 1.030 139 Y CA -0.690 56.929 58.100 -0.802 0.000 1.169 139 Y CB 1.007 38.866 38.460 -1.002 0.000 1.127 139 Y HN -0.057 nan 8.280 nan 0.000 0.644 140 T N -0.417 114.040 114.554 -0.162 0.000 2.749 140 T HA 0.753 5.221 4.350 0.196 0.000 0.310 140 T C -1.333 173.400 174.700 0.055 0.000 1.496 140 T CA -0.862 61.208 62.100 -0.051 0.000 1.006 140 T CB 2.126 70.942 68.868 -0.087 0.000 1.457 140 T HN 0.239 nan 8.240 nan 0.000 0.497 141 I N -1.162 119.443 120.570 0.058 0.000 2.607 141 I HA 0.568 4.856 4.170 0.196 0.000 0.290 141 I C -1.139 175.000 176.117 0.036 0.000 1.129 141 I CA -0.882 60.453 61.300 0.059 0.000 1.042 141 I CB 1.532 39.578 38.000 0.076 0.000 1.242 141 I HN 0.685 nan 8.210 nan 0.000 0.421 142 D N 8.219 128.636 120.400 0.028 0.000 2.419 142 D HA 0.127 4.885 4.640 0.196 0.000 0.236 142 D C -1.409 174.904 176.300 0.022 0.000 1.165 142 D CA -0.742 53.273 54.000 0.026 0.000 0.882 142 D CB 1.259 42.073 40.800 0.022 0.000 1.201 142 D HN 0.453 nan 8.370 nan 0.000 0.443 143 P HA -0.128 nan 4.420 nan 0.000 0.226 143 P C 0.580 177.888 177.300 0.014 0.000 1.146 143 P CA 0.831 63.943 63.100 0.019 0.000 0.773 143 P CB 0.396 32.107 31.700 0.019 0.000 0.772 144 A N 0.985 123.812 122.820 0.012 0.000 1.849 144 A HA -0.065 4.372 4.320 0.196 0.000 0.214 144 A C 2.086 179.671 177.584 0.002 0.000 1.269 144 A CA 0.929 52.970 52.037 0.007 0.000 0.605 144 A CB -1.269 17.734 19.000 0.006 0.000 0.937 144 A HN 0.052 nan 8.150 nan 0.000 0.461 145 E N -0.029 120.171 120.200 -0.000 0.000 2.461 145 E HA 0.230 4.698 4.350 0.196 0.000 0.196 145 E C 1.086 177.681 176.600 -0.009 0.000 1.129 145 E CA 0.635 57.029 56.400 -0.010 0.000 0.902 145 E CB -0.232 29.457 29.700 -0.018 0.000 0.963 145 E HN 0.490 nan 8.360 nan 0.000 0.503 146 A N -0.408 122.414 122.820 0.004 0.000 2.127 146 A HA 0.134 4.572 4.320 0.196 0.000 0.204 146 A C 1.850 179.442 177.584 0.013 0.000 1.243 146 A CA 0.167 52.211 52.037 0.012 0.000 0.887 146 A CB 0.089 19.104 19.000 0.024 0.000 0.933 146 A HN 0.116 nan 8.150 nan 0.000 0.479 147 K N 0.045 120.451 120.400 0.010 0.000 2.365 147 K HA 0.000 4.438 4.320 0.196 0.000 0.197 147 K C 1.963 178.567 176.600 0.007 0.000 1.042 147 K CA 0.727 57.021 56.287 0.011 0.000 0.987 147 K CB 0.068 32.574 32.500 0.009 0.000 0.779 147 K HN 0.228 nan 8.250 nan 0.000 0.484 148 K N 1.199 121.599 120.400 0.001 0.000 2.031 148 K HA -0.047 4.391 4.320 0.196 0.000 0.205 148 K C 1.414 178.013 176.600 -0.001 0.000 1.049 148 K CA 0.996 57.281 56.287 -0.004 0.000 0.939 148 K CB -0.061 32.431 32.500 -0.013 0.000 0.717 148 K HN 0.205 nan 8.250 nan 0.000 0.438 149 L N 1.135 122.357 121.223 -0.003 0.000 2.693 149 L HA 0.068 4.526 4.340 0.196 0.000 0.242 149 L C 1.877 178.758 176.870 0.019 0.000 1.157 149 L CA 0.323 55.164 54.840 0.002 0.000 0.929 149 L CB -0.163 41.887 42.059 -0.014 0.000 1.103 149 L HN 0.305 nan 8.230 nan 0.000 0.430 150 E N -0.036 120.175 120.200 0.019 0.000 2.364 150 E HA -0.063 4.405 4.350 0.196 0.000 0.203 150 E C 1.722 178.338 176.600 0.026 0.000 0.888 150 E CA -0.017 56.400 56.400 0.028 0.000 0.989 150 E CB 0.311 30.027 29.700 0.025 0.000 0.985 150 E HN 0.493 nan 8.360 nan 0.000 0.499 151 Q N 0.542 120.352 119.800 0.017 0.000 2.364 151 Q HA -0.140 4.318 4.340 0.196 0.000 0.207 151 Q C 1.114 177.124 176.000 0.016 0.000 0.970 151 Q CA 1.402 57.213 55.803 0.012 0.000 0.888 151 Q CB 0.122 28.863 28.738 0.005 0.000 0.951 151 Q HN 0.402 nan 8.270 nan 0.000 0.469 152 E N -0.142 120.073 120.200 0.025 0.000 2.583 152 E HA 0.091 4.559 4.350 0.196 0.000 0.213 152 E C -0.452 176.174 176.600 0.043 0.000 0.989 152 E CA -0.262 56.158 56.400 0.033 0.000 0.991 152 E CB 0.308 30.033 29.700 0.042 0.000 1.040 152 E HN 0.010 nan 8.360 nan 0.000 0.481 153 K N 1.658 122.085 120.400 0.046 0.000 3.071 153 K HA -0.195 4.243 4.320 0.196 0.000 0.262 153 K C -0.456 176.184 176.600 0.067 0.000 0.977 153 K CA 0.856 57.179 56.287 0.061 0.000 0.721 153 K CB -1.451 31.090 32.500 0.069 0.000 1.293 153 K HN 0.281 nan 8.250 nan 0.000 0.475 154 K N 0.795 121.229 120.400 0.057 0.000 2.168 154 K HA 0.294 4.732 4.320 0.196 0.000 0.239 154 K C 0.148 176.783 176.600 0.057 0.000 0.999 154 K CA -0.715 55.606 56.287 0.058 0.000 0.900 154 K CB 1.190 33.718 32.500 0.047 0.000 1.111 154 K HN 0.109 nan 8.250 nan 0.000 0.452 155 Q N 0.278 120.116 119.800 0.063 0.000 2.235 155 Q HA 0.234 4.692 4.340 0.196 0.000 0.250 155 Q C 0.480 176.506 176.000 0.043 0.000 0.909 155 Q CA -0.238 55.611 55.803 0.076 0.000 0.910 155 Q CB 1.666 30.466 28.738 0.103 0.000 1.223 155 Q HN 0.807 nan 8.270 nan 0.000 0.432 156 A N 4.010 126.868 122.820 0.064 0.000 1.842 156 A HA -0.137 4.301 4.320 0.196 0.000 0.217 156 A C 0.038 177.485 177.584 -0.228 0.000 1.206 156 A CA 1.344 53.359 52.037 -0.037 0.000 0.630 156 A CB -0.157 18.964 19.000 0.203 0.000 0.839 156 A HN 0.659 nan 8.150 nan 0.000 0.447 157 F N -0.429 119.590 119.950 0.116 0.000 2.443 157 F HA 0.357 5.002 4.527 0.197 0.000 0.369 157 F C -1.822 174.066 175.800 0.146 0.000 1.090 157 F CA -2.105 55.989 58.000 0.156 0.000 1.129 157 F CB 1.541 40.699 39.000 0.263 0.000 1.367 157 F HN 0.141 nan 8.300 nan 0.000 0.465 158 P HA -0.104 nan 4.420 nan 0.000 0.242 158 P C 0.656 178.083 177.300 0.210 0.000 1.197 158 P CA 0.944 64.157 63.100 0.188 0.000 0.765 158 P CB 0.188 31.964 31.700 0.126 0.000 0.936 159 D N -0.585 119.986 120.400 0.284 0.000 2.349 159 D HA 0.008 4.766 4.640 0.196 0.000 0.215 159 D C 0.253 176.829 176.300 0.460 0.000 1.016 159 D CA 0.117 54.305 54.000 0.313 0.000 0.870 159 D CB 0.188 41.164 40.800 0.293 0.000 0.917 159 D HN 0.007 nan 8.370 nan 0.000 0.524 160 V N 1.384 121.500 119.914 0.337 0.000 2.513 160 V HA 0.117 4.354 4.120 0.196 0.000 0.299 160 V C 0.585 176.707 176.094 0.047 0.000 1.035 160 V CA -0.612 61.757 62.300 0.114 0.000 0.889 160 V CB 2.087 33.871 31.823 -0.064 0.000 0.988 160 V HN -0.117 nan 8.190 nan 0.000 0.440 161 D N 1.530 121.886 120.400 -0.074 0.000 2.323 161 D HA 0.145 4.902 4.640 0.196 0.000 0.218 161 D C -0.338 176.021 176.300 0.098 0.000 0.973 161 D CA 1.374 55.376 54.000 0.003 0.000 0.890 161 D CB 0.757 41.516 40.800 -0.069 0.000 1.011 161 D HN 0.673 nan 8.370 nan 0.000 0.499 162 Y N -2.211 118.048 120.300 -0.069 0.000 2.841 162 Y HA 0.538 5.205 4.550 0.196 0.000 0.373 162 Y C -2.064 173.735 175.900 -0.169 0.000 1.170 162 Y CA -1.931 56.111 58.100 -0.096 0.000 1.196 162 Y CB 0.484 38.921 38.460 -0.039 0.000 1.433 162 Y HN -0.131 nan 8.280 nan 0.000 0.479 163 A N 1.381 124.267 122.820 0.110 0.000 2.386 163 A HA 0.842 5.280 4.320 0.196 0.000 0.311 163 A C -1.676 175.921 177.584 0.022 0.000 1.068 163 A CA -0.868 51.141 52.037 -0.046 0.000 0.743 163 A CB 1.579 20.465 19.000 -0.190 0.000 1.258 163 A HN 0.935 nan 8.150 nan 0.000 0.429 164 V N 1.576 121.484 119.914 -0.010 0.000 2.547 164 V HA 0.567 4.805 4.120 0.196 0.000 0.299 164 V C -0.457 175.582 176.094 -0.092 0.000 1.040 164 V CA -0.457 61.835 62.300 -0.014 0.000 0.913 164 V CB 1.720 33.576 31.823 0.055 0.000 0.992 164 V HN 0.642 nan 8.190 nan 0.000 0.449 165 V N 3.878 123.765 119.914 -0.044 0.000 2.419 165 V HA 0.345 4.583 4.120 0.196 0.000 0.287 165 V C -0.151 175.966 176.094 0.037 0.000 1.017 165 V CA -0.659 61.637 62.300 -0.007 0.000 0.844 165 V CB 1.384 33.245 31.823 0.063 0.000 1.011 165 V HN 0.928 nan 8.190 nan 0.000 0.429 166 E N 3.747 123.960 120.200 0.021 0.000 2.283 166 E HA 0.562 5.030 4.350 0.196 0.000 0.278 166 E C -1.401 175.215 176.600 0.027 0.000 1.027 166 E CA -0.329 56.065 56.400 -0.009 0.000 0.843 166 E CB 1.932 31.598 29.700 -0.058 0.000 1.062 166 E HN 0.636 nan 8.360 nan 0.000 0.401 167 Y N 2.179 122.366 120.300 -0.190 0.000 2.558 167 Y HA 0.227 4.895 4.550 0.196 0.000 0.333 167 Y C -2.651 173.089 175.900 -0.267 0.000 1.125 167 Y CA -2.379 55.607 58.100 -0.190 0.000 1.039 167 Y CB 2.300 40.680 38.460 -0.134 0.000 1.331 167 Y HN 0.330 nan 8.280 nan 0.000 0.456 168 P HA 0.273 nan 4.420 nan 0.000 0.244 168 P C -1.254 176.169 177.300 0.205 0.000 1.769 168 P CA 0.670 63.667 63.100 -0.171 0.000 1.102 168 P CB -0.186 31.355 31.700 -0.266 0.000 1.937 169 L N 1.587 123.003 121.223 0.321 0.000 2.345 169 L HA 0.254 4.712 4.340 0.196 0.000 0.274 169 L C 1.891 178.905 176.870 0.240 0.000 0.999 169 L CA -0.364 54.636 54.840 0.267 0.000 0.849 169 L CB 1.531 43.698 42.059 0.180 0.000 1.220 169 L HN 0.119 nan 8.230 nan 0.000 0.422 170 T N 2.388 117.029 114.554 0.146 0.000 2.714 170 T HA -0.243 4.225 4.350 0.196 0.000 0.268 170 T C 1.643 176.330 174.700 -0.021 0.000 1.036 170 T CA 1.821 63.949 62.100 0.047 0.000 1.148 170 T CB -0.013 68.859 68.868 0.006 0.000 0.856 170 T HN 0.511 nan 8.240 nan 0.000 0.462 171 L N 0.000 121.217 121.223 -0.010 0.000 2.017 171 L HA -0.027 4.430 4.340 0.196 0.000 0.208 171 L C 2.657 179.492 176.870 -0.058 0.000 1.073 171 L CA 1.697 56.493 54.840 -0.074 0.000 0.745 171 L CB -0.359 41.676 42.059 -0.039 0.000 0.894 171 L HN 0.410 nan 8.230 nan 0.000 0.432 172 L N -1.049 120.205 121.223 0.053 0.000 2.131 172 L HA -0.255 4.203 4.340 0.196 0.000 0.210 172 L C 2.533 179.430 176.870 0.046 0.000 1.092 172 L CA 1.029 55.935 54.840 0.110 0.000 0.759 172 L CB -0.638 41.561 42.059 0.234 0.000 0.903 172 L HN 0.434 nan 8.230 nan 0.000 0.435 173 Q N 0.672 120.413 119.800 -0.097 0.000 2.030 173 Q HA -0.186 4.271 4.340 0.196 0.000 0.204 173 Q C 1.748 177.562 176.000 -0.309 0.000 0.986 173 Q CA 1.365 56.829 55.803 -0.564 0.000 0.843 173 Q CB 0.176 28.541 28.738 -0.622 0.000 0.904 173 Q HN 0.276 nan 8.270 nan 0.000 0.420 174 K N -0.445 119.824 120.400 -0.219 0.000 2.585 174 K HA -0.016 4.422 4.320 0.196 0.000 0.194 174 K C 0.560 177.081 176.600 -0.131 0.000 1.037 174 K CA 0.933 57.105 56.287 -0.192 0.000 0.964 174 K CB -0.135 32.220 32.500 -0.241 0.000 0.787 174 K HN 0.459 nan 8.250 nan 0.000 0.488 175 G N 1.319 110.075 108.800 -0.074 0.000 2.580 175 G HA2 -0.134 3.943 3.960 0.196 0.000 0.204 175 G HA3 -0.134 3.943 3.960 0.196 0.000 0.204 175 G C -0.443 174.530 174.900 0.121 0.000 1.107 175 G CA -0.652 44.476 45.100 0.046 0.000 0.881 175 G HN 0.129 nan 8.290 nan 0.000 0.497 176 I N 0.181 120.791 120.570 0.066 0.000 2.533 176 I HA 0.528 4.816 4.170 0.196 0.000 0.290 176 I C -0.107 176.079 176.117 0.114 0.000 1.056 176 I CA -0.774 60.583 61.300 0.095 0.000 1.057 176 I CB 2.033 40.034 38.000 0.001 0.000 1.240 176 I HN 0.386 nan 8.210 nan 0.000 0.423 177 E N 6.314 126.601 120.200 0.145 0.000 2.238 177 E HA 0.677 5.144 4.350 0.196 0.000 0.267 177 E C -1.500 175.153 176.600 0.089 0.000 0.887 177 E CA -0.609 55.857 56.400 0.110 0.000 0.769 177 E CB 2.418 32.189 29.700 0.118 0.000 1.187 177 E HN 0.465 nan 8.360 nan 0.000 0.416 178 I N 3.499 124.093 120.570 0.040 0.000 2.465 178 I HA 0.316 4.604 4.170 0.196 0.000 0.291 178 I C -0.901 175.182 176.117 -0.056 0.000 1.014 178 I CA -1.101 60.209 61.300 0.016 0.000 1.093 178 I CB 2.061 40.074 38.000 0.021 0.000 1.267 178 I HN 0.267 nan 8.210 nan 0.000 0.431 179 V N 4.343 124.197 119.914 -0.100 0.000 2.326 179 V HA 0.223 4.460 4.120 0.196 0.000 0.281 179 V C -0.552 175.452 176.094 -0.150 0.000 1.015 179 V CA -0.448 61.712 62.300 -0.233 0.000 0.823 179 V CB 1.512 33.066 31.823 -0.447 0.000 1.009 179 V HN 0.617 nan 8.190 nan 0.000 0.436 180 D N 3.652 123.984 120.400 -0.113 0.000 2.428 180 D HA 0.176 4.934 4.640 0.196 0.000 0.221 180 D C 0.203 176.458 176.300 -0.075 0.000 1.123 180 D CA 0.251 54.214 54.000 -0.061 0.000 0.869 180 D CB 1.478 42.271 40.800 -0.012 0.000 1.032 180 D HN 0.484 nan 8.370 nan 0.000 0.506 181 S N 4.394 120.039 115.700 -0.090 0.000 2.523 181 S HA 0.272 4.859 4.470 0.196 0.000 0.275 181 S C -1.339 173.225 174.600 -0.061 0.000 1.281 181 S CA -1.206 56.948 58.200 -0.077 0.000 1.050 181 S CB 1.265 64.410 63.200 -0.091 0.000 0.937 181 S HN 0.380 nan 8.310 nan 0.000 0.492 182 P HA 0.194 nan 4.420 nan 0.000 0.233 182 P C 0.542 177.832 177.300 -0.016 0.000 1.167 182 P CA 0.554 63.651 63.100 -0.005 0.000 0.770 182 P CB -0.090 31.630 31.700 0.033 0.000 0.837 183 G N -0.986 107.795 108.800 -0.033 0.000 2.466 183 G HA2 0.317 4.394 3.960 0.196 0.000 0.291 183 G HA3 0.317 4.394 3.960 0.196 0.000 0.291 183 G C -0.836 174.040 174.900 -0.040 0.000 1.460 183 G CA -0.553 44.525 45.100 -0.036 0.000 0.791 183 G HN -0.089 nan 8.290 nan 0.000 0.505 184 L N 0.588 121.797 121.223 -0.024 0.000 2.607 184 L HA 0.221 4.678 4.340 0.196 0.000 0.228 184 L C 1.471 178.499 176.870 0.263 0.000 1.123 184 L CA -0.223 54.650 54.840 0.054 0.000 0.890 184 L CB -1.102 40.952 42.059 -0.009 0.000 1.103 184 L HN 0.727 nan 8.230 nan 0.000 0.468 185 N N -1.736 117.069 118.700 0.175 0.000 2.307 185 N HA -0.103 4.755 4.740 0.196 0.000 0.230 185 N C 0.618 176.263 175.510 0.224 0.000 1.297 185 N CA 0.151 53.315 53.050 0.189 0.000 0.884 185 N CB 0.374 38.940 38.487 0.132 0.000 1.115 185 N HN -0.091 nan 8.380 nan 0.000 0.436 186 D N -0.522 120.014 120.400 0.226 0.000 2.183 186 D HA -0.080 4.677 4.640 0.196 0.000 0.203 186 D C 1.353 177.766 176.300 0.188 0.000 0.969 186 D CA 1.238 55.387 54.000 0.248 0.000 0.842 186 D CB -0.424 40.527 40.800 0.252 0.000 0.957 186 D HN 0.669 nan 8.370 nan 0.000 0.484 187 T N 0.353 115.000 114.554 0.155 0.000 2.737 187 T HA -0.163 4.305 4.350 0.196 0.000 0.265 187 T C 1.790 176.563 174.700 0.121 0.000 1.038 187 T CA 1.339 63.520 62.100 0.135 0.000 1.144 187 T CB -0.144 68.796 68.868 0.122 0.000 0.866 187 T HN 0.076 nan 8.240 nan 0.000 0.434 188 E N 1.626 121.895 120.200 0.114 0.000 2.153 188 E HA -0.011 4.456 4.350 0.196 0.000 0.194 188 E C 2.108 178.750 176.600 0.071 0.000 0.988 188 E CA 1.202 57.661 56.400 0.099 0.000 0.811 188 E CB -0.564 29.191 29.700 0.093 0.000 0.746 188 E HN 0.432 nan 8.360 nan 0.000 0.466 189 A N 1.151 123.997 122.820 0.044 0.000 1.841 189 A HA -0.228 4.210 4.320 0.196 0.000 0.216 189 A C 2.259 179.773 177.584 -0.116 0.000 1.199 189 A CA 1.926 53.870 52.037 -0.155 0.000 0.621 189 A CB -0.626 18.155 19.000 -0.364 0.000 0.835 189 A HN 0.253 nan 8.150 nan 0.000 0.445 190 R N -0.737 119.782 120.500 0.030 0.000 2.096 190 R HA -0.227 4.231 4.340 0.196 0.000 0.240 190 R C 2.255 178.619 176.300 0.106 0.000 1.139 190 R CA 1.716 57.883 56.100 0.113 0.000 0.952 190 R CB -0.712 29.690 30.300 0.170 0.000 0.854 190 R HN 0.681 nan 8.270 nan 0.000 0.436 191 N N 0.932 119.697 118.700 0.109 0.000 2.021 191 N HA -0.237 4.620 4.740 0.196 0.000 0.198 191 N C 1.509 177.088 175.510 0.115 0.000 1.041 191 N CA 2.084 55.206 53.050 0.120 0.000 0.862 191 N CB -0.130 38.436 38.487 0.131 0.000 1.048 191 N HN 0.260 nan 8.380 nan 0.000 0.427 192 E N -0.708 119.563 120.200 0.117 0.000 2.085 192 E HA -0.194 4.273 4.350 0.196 0.000 0.194 192 E C 1.944 178.597 176.600 0.087 0.000 0.994 192 E CA 1.131 57.630 56.400 0.165 0.000 0.801 192 E CB -0.226 29.547 29.700 0.122 0.000 0.743 192 E HN 0.317 nan 8.360 nan 0.000 0.453 193 L N 0.303 121.551 121.223 0.042 0.000 2.046 193 L HA -0.166 4.292 4.340 0.196 0.000 0.208 193 L C 2.358 179.237 176.870 0.015 0.000 1.077 193 L CA 1.711 56.576 54.840 0.042 0.000 0.747 193 L CB -0.479 41.632 42.059 0.086 0.000 0.896 193 L HN -0.001 nan 8.230 nan 0.000 0.432 194 S N -1.075 114.644 115.700 0.031 0.000 2.402 194 S HA -0.087 4.501 4.470 0.196 0.000 0.229 194 S C 1.847 176.378 174.600 -0.114 0.000 1.021 194 S CA 1.115 59.296 58.200 -0.030 0.000 0.974 194 S CB -0.331 62.891 63.200 0.037 0.000 0.800 194 S HN 0.470 nan 8.310 nan 0.000 0.484 195 L N 0.297 121.449 121.223 -0.118 0.000 2.554 195 L HA 0.255 4.713 4.340 0.196 0.000 0.226 195 L C 1.877 178.446 176.870 -0.502 0.000 1.137 195 L CA 0.465 55.142 54.840 -0.271 0.000 0.863 195 L CB -0.356 41.565 42.059 -0.230 0.000 0.985 195 L HN 0.612 nan 8.230 nan 0.000 0.451 196 G N -1.164 107.433 108.800 -0.339 0.000 4.244 196 G HA2 -0.378 3.700 3.960 0.196 0.000 0.222 196 G HA3 -0.378 3.700 3.960 0.196 0.000 0.222 196 G C 0.622 175.402 174.900 -0.200 0.000 1.665 196 G CA 0.107 45.026 45.100 -0.301 0.000 1.315 196 G HN 0.191 nan 8.290 nan 0.000 0.637 197 Y N 0.516 120.755 120.300 -0.100 0.000 2.418 197 Y HA -0.436 4.232 4.550 0.196 0.000 0.182 197 Y C 3.025 178.858 175.900 -0.112 0.000 1.281 197 Y CA 2.633 60.665 58.100 -0.114 0.000 0.917 197 Y CB -1.545 36.860 38.460 -0.091 0.000 0.583 197 Y HN 0.467 nan 8.280 nan 0.000 0.613 198 V N -0.091 119.890 119.914 0.111 0.000 2.636 198 V HA -0.305 3.933 4.120 0.196 0.000 0.258 198 V C 1.095 177.191 176.094 0.004 0.000 1.092 198 V CA 2.274 64.613 62.300 0.066 0.000 1.110 198 V CB -0.469 31.399 31.823 0.076 0.000 0.685 198 V HN 0.514 nan 8.190 nan 0.000 0.481 199 N N -0.217 118.456 118.700 -0.045 0.000 2.241 199 N HA 0.124 4.981 4.740 0.196 0.000 0.238 199 N C 0.162 175.468 175.510 -0.340 0.000 1.244 199 N CA 0.033 53.030 53.050 -0.088 0.000 0.880 199 N CB 0.555 39.081 38.487 0.065 0.000 1.179 199 N HN 0.432 nan 8.380 nan 0.000 0.513 200 N N 0.973 119.350 118.700 -0.537 0.000 2.571 200 N HA 0.145 5.003 4.740 0.196 0.000 0.298 200 N C -0.796 174.084 175.510 -1.051 0.000 1.671 200 N CA -0.091 52.342 53.050 -1.028 0.000 0.900 200 N CB 0.994 39.335 38.487 -0.243 0.000 1.365 200 N HN 0.234 nan 8.380 nan 0.000 0.493 201 C N -1.938 116.750 119.300 -1.019 0.000 2.985 201 C HA 0.487 5.064 4.460 0.196 0.000 0.314 201 C C 1.444 176.369 174.990 -0.109 0.000 1.215 201 C CA -0.780 58.048 59.018 -0.318 0.000 1.414 201 C CB 0.750 28.470 27.740 -0.033 0.000 1.842 201 C HN 0.337 nan 8.230 nan 0.000 0.477 202 H N 1.127 120.412 119.070 0.358 0.000 2.462 202 H HA 0.437 5.111 4.556 0.196 0.000 0.292 202 H C 1.077 176.732 175.328 0.546 0.000 1.049 202 H CA 1.956 58.321 56.048 0.528 0.000 1.334 202 H CB 0.126 30.215 29.762 0.544 0.000 1.404 202 H HN 1.097 nan 8.280 nan 0.000 0.544 203 A N 0.055 123.167 122.820 0.487 0.000 2.606 203 A HA 0.563 5.001 4.320 0.196 0.000 0.293 203 A C -1.317 176.397 177.584 0.216 0.000 1.082 203 A CA -0.707 51.533 52.037 0.337 0.000 0.685 203 A CB 1.230 20.482 19.000 0.420 0.000 1.284 203 A HN 0.108 nan 8.150 nan 0.000 0.408 204 I N 1.179 121.835 120.570 0.144 0.000 2.404 204 I HA 0.345 4.633 4.170 0.196 0.000 0.293 204 I C -1.226 174.940 176.117 0.082 0.000 0.992 204 I CA -0.734 60.619 61.300 0.089 0.000 1.149 204 I CB 1.713 39.737 38.000 0.040 0.000 1.315 204 I HN 0.399 nan 8.210 nan 0.000 0.446 205 L N 7.175 128.434 121.223 0.061 0.000 2.283 205 L HA 0.308 4.766 4.340 0.196 0.000 0.281 205 L C -0.623 176.195 176.870 -0.086 0.000 1.033 205 L CA -0.041 54.799 54.840 0.001 0.000 0.848 205 L CB 0.521 42.634 42.059 0.090 0.000 1.226 205 L HN 0.349 nan 8.230 nan 0.000 0.429 206 F N 4.478 124.239 119.950 -0.315 0.000 2.329 206 F HA 0.398 5.043 4.527 0.196 0.000 0.362 206 F C 0.153 175.786 175.800 -0.279 0.000 1.113 206 F CA -0.706 57.119 58.000 -0.291 0.000 1.212 206 F CB 0.558 39.362 39.000 -0.326 0.000 1.509 206 F HN 0.110 nan 8.300 nan 0.000 0.546 207 V N 7.310 127.001 119.914 -0.371 0.000 2.485 207 V HA 0.079 4.317 4.120 0.196 0.000 0.287 207 V C 0.488 176.475 176.094 -0.178 0.000 1.022 207 V CA 0.411 62.496 62.300 -0.358 0.000 1.067 207 V CB 0.303 31.868 31.823 -0.429 0.000 0.967 207 V HN 0.707 nan 8.190 nan 0.000 0.479 208 M N 4.828 124.409 119.600 -0.033 0.000 2.796 208 M HA 0.659 5.257 4.480 0.196 0.000 0.303 208 M C -0.307 176.036 176.300 0.072 0.000 1.240 208 M CA -0.831 54.536 55.300 0.113 0.000 0.831 208 M CB 2.395 35.180 32.600 0.309 0.000 1.750 208 M HN 0.484 nan 8.290 nan 0.000 0.484 209 R N -0.545 120.053 120.500 0.164 0.000 2.686 209 R HA 0.659 5.117 4.340 0.196 0.000 0.283 209 R C 0.169 176.637 176.300 0.280 0.000 0.978 209 R CA -0.127 56.070 56.100 0.163 0.000 0.897 209 R CB 1.820 32.186 30.300 0.110 0.000 1.192 209 R HN 0.896 nan 8.270 nan 0.000 0.457 210 A N 1.724 124.709 122.820 0.275 0.000 1.972 210 A HA -0.092 4.346 4.320 0.196 0.000 0.219 210 A C 1.270 178.980 177.584 0.209 0.000 1.169 210 A CA 1.771 54.013 52.037 0.343 0.000 0.635 210 A CB -0.225 18.924 19.000 0.249 0.000 0.810 210 A HN 0.721 nan 8.150 nan 0.000 0.446 211 S N -1.024 114.753 115.700 0.128 0.000 2.607 211 S HA 0.102 4.689 4.470 0.196 0.000 0.224 211 S C 0.404 175.048 174.600 0.072 0.000 0.969 211 S CA 0.506 58.749 58.200 0.072 0.000 0.927 211 S CB 0.025 63.253 63.200 0.047 0.000 0.772 211 S HN 0.647 nan 8.310 nan 0.000 0.533 212 Q N 0.551 120.417 119.800 0.111 0.000 3.825 212 Q HA 0.256 4.714 4.340 0.196 0.000 0.218 212 Q C -3.076 172.986 176.000 0.103 0.000 0.882 212 Q CA -1.224 54.629 55.803 0.082 0.000 0.766 212 Q CB 1.489 30.273 28.738 0.077 0.000 1.497 212 Q HN 0.074 nan 8.270 nan 0.000 0.428 213 P HA -0.027 nan 4.420 nan 0.000 0.261 213 P C -0.557 176.630 177.300 -0.189 0.000 1.203 213 P CA 0.046 63.020 63.100 -0.211 0.000 0.767 213 P CB 0.315 31.789 31.700 -0.377 0.000 0.785 214 C N 2.196 121.437 119.300 -0.097 0.000 2.977 214 C HA -0.137 4.441 4.460 0.196 0.000 0.252 214 C C 1.184 176.182 174.990 0.013 0.000 1.310 214 C CA 0.303 59.314 59.018 -0.012 0.000 2.393 214 C CB -3.270 24.401 27.740 -0.115 0.000 1.512 214 C HN 0.592 nan 8.230 nan 0.000 0.453 215 T N 2.247 116.842 114.554 0.068 0.000 2.716 215 T HA 0.075 4.543 4.350 0.196 0.000 0.335 215 T C 1.517 176.256 174.700 0.065 0.000 1.081 215 T CA 0.307 62.443 62.100 0.060 0.000 1.073 215 T CB 0.406 69.324 68.868 0.083 0.000 0.993 215 T HN 0.621 nan 8.240 nan 0.000 0.547 216 L N 1.267 122.520 121.223 0.051 0.000 2.056 216 L HA -0.003 4.455 4.340 0.196 0.000 0.207 216 L C 2.452 179.378 176.870 0.093 0.000 1.078 216 L CA 2.390 57.261 54.840 0.051 0.000 0.749 216 L CB -1.807 40.269 42.059 0.028 0.000 0.901 216 L HN 0.890 nan 8.230 nan 0.000 0.433 217 G N -0.058 108.805 108.800 0.105 0.000 2.469 217 G HA2 -0.282 3.796 3.960 0.196 0.000 0.219 217 G HA3 -0.282 3.796 3.960 0.196 0.000 0.219 217 G C 1.351 176.387 174.900 0.227 0.000 1.150 217 G CA 0.852 46.042 45.100 0.150 0.000 0.763 217 G HN 0.592 nan 8.290 nan 0.000 0.561 218 E N 0.298 120.634 120.200 0.226 0.000 2.006 218 E HA -0.056 4.412 4.350 0.196 0.000 0.192 218 E C 2.668 179.424 176.600 0.260 0.000 0.993 218 E CA 0.424 57.026 56.400 0.336 0.000 0.808 218 E CB -0.254 29.651 29.700 0.343 0.000 0.764 218 E HN 0.253 nan 8.360 nan 0.000 0.449 219 R N 0.768 121.361 120.500 0.155 0.000 2.153 219 R HA -0.205 4.253 4.340 0.196 0.000 0.252 219 R C 2.497 178.880 176.300 0.139 0.000 1.158 219 R CA 1.606 57.773 56.100 0.113 0.000 0.975 219 R CB -0.314 30.030 30.300 0.073 0.000 0.871 219 R HN 0.106 nan 8.270 nan 0.000 0.450 220 R N -0.415 120.181 120.500 0.161 0.000 2.062 220 R HA -0.186 4.271 4.340 0.196 0.000 0.231 220 R C 2.163 178.576 176.300 0.188 0.000 1.136 220 R CA 1.647 57.836 56.100 0.148 0.000 0.948 220 R CB -0.439 29.947 30.300 0.144 0.000 0.845 220 R HN 0.198 nan 8.270 nan 0.000 0.430 221 Y N 1.516 121.928 120.300 0.187 0.000 2.053 221 Y HA -0.300 4.368 4.550 0.196 0.000 0.277 221 Y C 2.001 178.033 175.900 0.220 0.000 1.159 221 Y CA 2.057 60.340 58.100 0.304 0.000 1.125 221 Y CB -0.533 38.159 38.460 0.388 0.000 0.969 221 Y HN 0.066 nan 8.280 nan 0.000 0.492 222 L N -0.017 121.428 121.223 0.370 0.000 2.021 222 L HA -0.315 4.143 4.340 0.196 0.000 0.215 222 L C 2.614 179.522 176.870 0.064 0.000 1.074 222 L CA 2.112 56.991 54.840 0.066 0.000 0.760 222 L CB -0.645 41.264 42.059 -0.251 0.000 0.889 222 L HN 0.373 nan 8.230 nan 0.000 0.433 223 E N -0.066 120.198 120.200 0.107 0.000 2.047 223 E HA -0.187 4.281 4.350 0.196 0.000 0.191 223 E C 1.900 178.485 176.600 -0.026 0.000 0.987 223 E CA 1.012 57.470 56.400 0.097 0.000 0.799 223 E CB 0.134 29.886 29.700 0.087 0.000 0.752 223 E HN 0.477 nan 8.360 nan 0.000 0.449 224 N N -0.617 117.982 118.700 -0.168 0.000 2.309 224 N HA -0.126 4.732 4.740 0.196 0.000 0.182 224 N C 0.839 175.966 175.510 -0.638 0.000 1.018 224 N CA 1.136 53.907 53.050 -0.465 0.000 0.876 224 N CB 0.035 38.067 38.487 -0.758 0.000 0.972 224 N HN 0.359 nan 8.380 nan 0.000 0.434 225 Y N -1.350 118.856 120.300 -0.155 0.000 2.423 225 Y HA 0.400 5.067 4.550 0.196 0.000 0.257 225 Y C 1.691 177.576 175.900 -0.026 0.000 1.087 225 Y CA -0.281 57.725 58.100 -0.156 0.000 1.258 225 Y CB 0.782 38.983 38.460 -0.432 0.000 1.237 225 Y HN -0.120 nan 8.280 nan 0.000 0.517 226 I N -0.671 119.981 120.570 0.137 0.000 3.812 226 I HA 0.019 4.306 4.170 0.196 0.000 0.292 226 I C 0.772 176.988 176.117 0.165 0.000 1.206 226 I CA -0.074 61.302 61.300 0.126 0.000 1.370 226 I CB 0.414 38.446 38.000 0.054 0.000 1.328 226 I HN -0.199 nan 8.210 nan 0.000 0.453 227 K N 2.046 122.591 120.400 0.242 0.000 2.504 227 K HA -0.030 4.407 4.320 0.196 0.000 0.278 227 K C 0.941 177.642 176.600 0.169 0.000 1.025 227 K CA 1.055 57.560 56.287 0.363 0.000 1.093 227 K CB 0.052 32.745 32.500 0.323 0.000 0.873 227 K HN 0.395 nan 8.250 nan 0.000 0.483 228 G N 4.228 113.113 108.800 0.141 0.000 2.321 228 G HA2 -0.290 3.788 3.960 0.196 0.000 0.287 228 G HA3 -0.290 3.788 3.960 0.196 0.000 0.287 228 G C 0.459 175.390 174.900 0.052 0.000 1.018 228 G CA 0.489 45.629 45.100 0.067 0.000 0.855 228 G HN 0.737 nan 8.290 nan 0.000 0.507 229 R N -0.110 120.435 120.500 0.076 0.000 2.397 229 R HA 0.309 4.767 4.340 0.196 0.000 0.241 229 R C 1.593 177.926 176.300 0.055 0.000 0.914 229 R CA 0.387 56.520 56.100 0.056 0.000 1.071 229 R CB 0.043 30.387 30.300 0.073 0.000 1.116 229 R HN 1.369 nan 8.270 nan 0.000 0.524 230 G N 2.272 111.111 108.800 0.066 0.000 2.333 230 G HA2 -0.256 3.821 3.960 0.196 0.000 0.296 230 G HA3 -0.256 3.821 3.960 0.196 0.000 0.296 230 G C -0.209 174.738 174.900 0.077 0.000 1.059 230 G CA 0.183 45.322 45.100 0.065 0.000 1.050 230 G HN 0.180 nan 8.290 nan 0.000 0.508 231 L N -0.473 120.798 121.223 0.081 0.000 2.333 231 L HA 0.665 5.123 4.340 0.196 0.000 0.269 231 L C 0.483 177.373 176.870 0.033 0.000 1.010 231 L CA -1.002 53.882 54.840 0.073 0.000 0.818 231 L CB 2.261 44.362 42.059 0.069 0.000 1.306 231 L HN 0.117 nan 8.230 nan 0.000 0.430 232 T N 2.070 116.627 114.554 0.005 0.000 2.733 232 T HA 0.418 4.886 4.350 0.196 0.000 0.294 232 T C -0.596 173.974 174.700 -0.217 0.000 0.956 232 T CA -0.283 61.713 62.100 -0.174 0.000 0.987 232 T CB 1.126 69.776 68.868 -0.362 0.000 0.920 232 T HN 0.366 nan 8.240 nan 0.000 0.470 233 V N 4.479 124.202 119.914 -0.319 0.000 2.638 233 V HA 0.746 4.984 4.120 0.196 0.000 0.306 233 V C -1.628 174.087 176.094 -0.632 0.000 1.052 233 V CA -1.035 61.029 62.300 -0.393 0.000 0.885 233 V CB 1.117 32.659 31.823 -0.469 0.000 0.999 233 V HN 0.688 nan 8.190 nan 0.000 0.424 234 F N 6.307 125.974 119.950 -0.472 0.000 2.410 234 F HA 0.661 5.305 4.527 0.196 0.000 0.349 234 F C -0.135 175.317 175.800 -0.580 0.000 1.117 234 F CA -0.626 57.164 58.000 -0.349 0.000 1.104 234 F CB 1.332 40.327 39.000 -0.009 0.000 1.122 234 F HN 0.428 nan 8.300 nan 0.000 0.483 235 F N 4.097 123.995 119.950 -0.087 0.000 2.411 235 F HA 0.448 5.093 4.527 0.196 0.000 0.355 235 F C -0.196 175.440 175.800 -0.273 0.000 1.117 235 F CA -0.700 57.202 58.000 -0.163 0.000 1.139 235 F CB 0.650 39.517 39.000 -0.223 0.000 1.120 235 F HN 0.157 nan 8.300 nan 0.000 0.493 236 L N 4.865 125.957 121.223 -0.219 0.000 2.283 236 L HA 0.399 4.857 4.340 0.196 0.000 0.281 236 L C -0.591 176.090 176.870 -0.315 0.000 1.033 236 L CA -0.796 53.796 54.840 -0.414 0.000 0.848 236 L CB 1.075 42.654 42.059 -0.800 0.000 1.226 236 L HN 0.322 nan 8.230 nan 0.000 0.429 237 V N 3.491 123.207 119.914 -0.330 0.000 2.370 237 V HA 0.058 4.296 4.120 0.196 0.000 0.257 237 V C 0.668 176.694 176.094 -0.112 0.000 1.064 237 V CA -0.103 62.015 62.300 -0.304 0.000 0.975 237 V CB 0.196 31.657 31.823 -0.603 0.000 1.067 237 V HN 0.762 nan 8.190 nan 0.000 0.485 238 N N 3.434 122.104 118.700 -0.050 0.000 2.408 238 N HA 0.422 5.280 4.740 0.196 0.000 0.260 238 N C 0.837 176.434 175.510 0.145 0.000 1.242 238 N CA 0.208 53.280 53.050 0.036 0.000 0.959 238 N CB 0.841 39.323 38.487 -0.009 0.000 1.201 238 N HN 0.839 nan 8.380 nan 0.000 0.511 239 A N 1.117 124.037 122.820 0.167 0.000 2.745 239 A HA -0.158 4.280 4.320 0.196 0.000 0.296 239 A C 0.952 178.651 177.584 0.191 0.000 1.500 239 A CA 0.860 52.991 52.037 0.156 0.000 0.766 239 A CB -2.480 16.583 19.000 0.106 0.000 1.030 239 A HN 0.946 nan 8.150 nan 0.000 0.489 240 W N 1.039 122.365 121.300 0.043 0.000 2.425 240 W HA -0.195 4.582 4.660 0.196 0.000 0.277 240 W C 1.611 178.160 176.519 0.050 0.000 1.231 240 W CA 1.801 59.170 57.345 0.040 0.000 1.248 240 W CB -0.065 29.414 29.460 0.031 0.000 1.117 240 W HN 0.836 nan 8.180 nan 0.000 0.568 241 D N 0.148 120.608 120.400 0.100 0.000 2.218 241 D HA -0.284 4.474 4.640 0.196 0.000 0.204 241 D C 1.637 177.887 176.300 -0.084 0.000 0.976 241 D CA 1.235 55.239 54.000 0.006 0.000 0.853 241 D CB -0.978 39.862 40.800 0.067 0.000 0.939 241 D HN 0.331 nan 8.370 nan 0.000 0.481 242 Q N 0.240 119.997 119.800 -0.073 0.000 2.291 242 Q HA -0.063 4.395 4.340 0.196 0.000 0.206 242 Q C 2.485 178.399 176.000 -0.143 0.000 0.976 242 Q CA 0.524 56.279 55.803 -0.078 0.000 0.875 242 Q CB 0.074 28.791 28.738 -0.035 0.000 0.927 242 Q HN 0.211 nan 8.270 nan 0.000 0.450 243 V N 1.621 121.369 119.914 -0.277 0.000 2.380 243 V HA -0.316 3.922 4.120 0.196 0.000 0.251 243 V C 2.250 178.217 176.094 -0.212 0.000 1.063 243 V CA 2.390 64.498 62.300 -0.320 0.000 1.055 243 V CB -0.568 30.881 31.823 -0.624 0.000 0.657 243 V HN 0.478 nan 8.190 nan 0.000 0.455 244 R N 1.545 121.936 120.500 -0.183 0.000 2.275 244 R HA -0.053 4.405 4.340 0.196 0.000 0.199 244 R C 1.631 177.890 176.300 -0.069 0.000 0.989 244 R CA 1.052 57.087 56.100 -0.108 0.000 1.016 244 R CB -0.492 29.759 30.300 -0.081 0.000 0.918 244 R HN 0.725 nan 8.270 nan 0.000 0.473 245 E N 0.868 121.029 120.200 -0.065 0.000 2.382 245 E HA 0.003 4.470 4.350 0.196 0.000 0.190 245 E C 0.376 176.953 176.600 -0.037 0.000 1.125 245 E CA 0.242 56.617 56.400 -0.041 0.000 0.929 245 E CB 0.370 30.051 29.700 -0.031 0.000 1.053 245 E HN 0.240 nan 8.360 nan 0.000 0.475 246 S N 0.079 115.751 115.700 -0.045 0.000 2.893 246 S HA 0.245 4.832 4.470 0.196 0.000 0.258 246 S C 0.113 174.693 174.600 -0.034 0.000 1.034 246 S CA -0.590 57.587 58.200 -0.037 0.000 1.167 246 S CB 0.141 63.315 63.200 -0.043 0.000 1.137 246 S HN 0.242 nan 8.310 nan 0.000 0.650 247 L N 1.990 123.192 121.223 -0.035 0.000 2.421 247 L HA 0.404 4.862 4.340 0.196 0.000 0.263 247 L C 1.644 178.503 176.870 -0.018 0.000 1.122 247 L CA -0.905 53.919 54.840 -0.027 0.000 0.804 247 L CB 0.274 42.316 42.059 -0.028 0.000 1.150 247 L HN 0.100 nan 8.230 nan 0.000 0.457 248 I N -0.067 120.495 120.570 -0.014 0.000 2.118 248 I HA -0.200 4.088 4.170 0.196 0.000 0.241 248 I C 0.824 176.936 176.117 -0.009 0.000 1.070 248 I CA 1.704 62.998 61.300 -0.010 0.000 1.327 248 I CB -0.751 37.245 38.000 -0.007 0.000 1.034 248 I HN 0.711 nan 8.210 nan 0.000 0.405 249 D N 0.895 121.290 120.400 -0.008 0.000 2.454 249 D HA 0.249 5.007 4.640 0.196 0.000 0.247 249 D C -2.126 174.169 176.300 -0.008 0.000 1.129 249 D CA -2.328 51.668 54.000 -0.006 0.000 0.877 249 D CB 1.897 42.696 40.800 -0.003 0.000 1.082 249 D HN -0.121 nan 8.370 nan 0.000 0.537 250 P HA 0.037 nan 4.420 nan 0.000 0.236 250 P C -0.201 177.095 177.300 -0.007 0.000 1.172 250 P CA 0.667 63.759 63.100 -0.014 0.000 0.759 250 P CB 0.371 32.062 31.700 -0.015 0.000 0.843 251 D N -0.955 119.444 120.400 -0.002 0.000 2.788 251 D HA 0.050 4.808 4.640 0.196 0.000 0.289 251 D C -0.688 175.616 176.300 0.007 0.000 1.340 251 D CA -0.045 53.958 54.000 0.004 0.000 0.831 251 D CB -0.280 40.523 40.800 0.005 0.000 1.103 251 D HN -0.112 nan 8.370 nan 0.000 0.476 252 D N 0.511 120.915 120.400 0.006 0.000 2.408 252 D HA -0.000 4.757 4.640 0.196 0.000 0.261 252 D C 1.678 177.986 176.300 0.014 0.000 1.190 252 D CA -0.599 53.407 54.000 0.009 0.000 0.910 252 D CB 1.066 41.869 40.800 0.006 0.000 1.097 252 D HN -0.006 nan 8.370 nan 0.000 0.522 253 V N 1.823 121.750 119.914 0.021 0.000 2.439 253 V HA -0.219 4.018 4.120 0.196 0.000 0.253 253 V C 1.891 178.005 176.094 0.033 0.000 1.074 253 V CA 1.681 64.000 62.300 0.032 0.000 1.076 253 V CB -0.620 31.226 31.823 0.038 0.000 0.664 253 V HN 0.303 nan 8.190 nan 0.000 0.461 254 E N 0.956 121.172 120.200 0.026 0.000 2.016 254 E HA -0.159 4.309 4.350 0.196 0.000 0.190 254 E C 2.285 178.899 176.600 0.023 0.000 0.985 254 E CA 1.712 58.128 56.400 0.026 0.000 0.802 254 E CB -0.436 29.276 29.700 0.020 0.000 0.762 254 E HN 0.845 nan 8.360 nan 0.000 0.448 255 E N -0.143 120.066 120.200 0.015 0.000 2.058 255 E HA -0.246 4.222 4.350 0.196 0.000 0.194 255 E C 2.079 178.683 176.600 0.007 0.000 0.997 255 E CA 1.338 57.743 56.400 0.008 0.000 0.801 255 E CB -0.284 29.417 29.700 0.001 0.000 0.746 255 E HN 0.212 nan 8.360 nan 0.000 0.450 256 L N 1.643 122.870 121.223 0.006 0.000 1.963 256 L HA -0.307 4.151 4.340 0.196 0.000 0.220 256 L C 2.631 179.515 176.870 0.023 0.000 1.076 256 L CA 2.774 57.612 54.840 -0.003 0.000 0.772 256 L CB -1.348 40.714 42.059 0.004 0.000 0.892 256 L HN 0.325 nan 8.230 nan 0.000 0.435 257 Q N -0.250 119.582 119.800 0.053 0.000 2.118 257 Q HA -0.253 4.205 4.340 0.196 0.000 0.211 257 Q C 2.044 178.090 176.000 0.077 0.000 0.998 257 Q CA 2.841 58.695 55.803 0.086 0.000 0.872 257 Q CB -0.698 28.084 28.738 0.074 0.000 0.925 257 Q HN 0.640 nan 8.270 nan 0.000 0.414 258 A N -0.619 122.229 122.820 0.048 0.000 1.933 258 A HA -0.156 4.282 4.320 0.196 0.000 0.218 258 A C 2.300 179.906 177.584 0.037 0.000 1.175 258 A CA 1.767 53.828 52.037 0.040 0.000 0.628 258 A CB -0.658 18.356 19.000 0.024 0.000 0.814 258 A HN 0.477 nan 8.150 nan 0.000 0.444 259 S N -0.081 115.630 115.700 0.019 0.000 2.357 259 S HA -0.133 4.455 4.470 0.196 0.000 0.221 259 S C 1.795 176.411 174.600 0.027 0.000 1.031 259 S CA 1.269 59.469 58.200 0.001 0.000 0.982 259 S CB -0.385 62.790 63.200 -0.042 0.000 0.853 259 S HN 0.711 nan 8.310 nan 0.000 0.458 260 E N 1.731 121.956 120.200 0.040 0.000 2.114 260 E HA -0.219 4.249 4.350 0.196 0.000 0.199 260 E C 1.801 178.564 176.600 0.271 0.000 1.008 260 E CA 1.275 57.782 56.400 0.178 0.000 0.810 260 E CB -0.473 29.444 29.700 0.360 0.000 0.739 260 E HN 0.573 nan 8.360 nan 0.000 0.456 261 N N 0.492 119.297 118.700 0.174 0.000 2.120 261 N HA -0.141 4.717 4.740 0.196 0.000 0.188 261 N C 1.970 177.549 175.510 0.115 0.000 1.024 261 N CA 0.562 53.695 53.050 0.139 0.000 0.852 261 N CB -0.046 38.494 38.487 0.088 0.000 1.003 261 N HN 0.069 nan 8.380 nan 0.000 0.424 262 R N 0.883 121.433 120.500 0.084 0.000 2.096 262 R HA -0.114 4.344 4.340 0.196 0.000 0.240 262 R C 2.256 178.603 176.300 0.078 0.000 1.139 262 R CA 1.034 57.167 56.100 0.055 0.000 0.952 262 R CB -0.393 29.925 30.300 0.030 0.000 0.854 262 R HN 0.288 nan 8.270 nan 0.000 0.436 263 L N 0.187 121.491 121.223 0.136 0.000 2.056 263 L HA -0.167 4.291 4.340 0.196 0.000 0.207 263 L C 2.546 179.616 176.870 0.332 0.000 1.078 263 L CA 1.279 56.249 54.840 0.217 0.000 0.749 263 L CB -0.202 42.046 42.059 0.315 0.000 0.901 263 L HN 0.207 nan 8.230 nan 0.000 0.433 264 R N -0.135 120.575 120.500 0.350 0.000 2.120 264 R HA -0.209 4.249 4.340 0.196 0.000 0.234 264 R C 2.141 178.550 176.300 0.181 0.000 1.123 264 R CA 1.607 57.899 56.100 0.319 0.000 0.975 264 R CB -0.309 30.127 30.300 0.228 0.000 0.866 264 R HN 0.610 nan 8.270 nan 0.000 0.446 265 Q N 0.177 120.033 119.800 0.093 0.000 2.369 265 Q HA -0.023 4.435 4.340 0.196 0.000 0.206 265 Q C 1.688 177.680 176.000 -0.013 0.000 0.963 265 Q CA 0.971 56.782 55.803 0.014 0.000 0.894 265 Q CB 0.043 28.779 28.738 -0.004 0.000 0.965 265 Q HN 0.108 nan 8.270 nan 0.000 0.475 266 V N 0.245 120.149 119.914 -0.017 0.000 2.346 266 V HA -0.147 4.091 4.120 0.196 0.000 0.244 266 V C 1.815 177.810 176.094 -0.165 0.000 1.037 266 V CA 1.440 63.658 62.300 -0.137 0.000 1.029 266 V CB -0.611 31.058 31.823 -0.257 0.000 0.663 266 V HN 0.272 nan 8.190 nan 0.000 0.454 267 F N 0.886 120.855 119.950 0.030 0.000 2.134 267 F HA -0.165 4.479 4.527 0.196 0.000 0.299 267 F C 2.383 178.195 175.800 0.020 0.000 1.097 267 F CA 2.118 60.137 58.000 0.032 0.000 1.264 267 F CB -0.564 38.483 39.000 0.078 0.000 1.001 267 F HN 0.198 nan 8.300 nan 0.000 0.479 268 N N 0.446 119.227 118.700 0.135 0.000 2.084 268 N HA -0.196 4.662 4.740 0.196 0.000 0.190 268 N C 1.881 177.318 175.510 -0.122 0.000 1.030 268 N CA 1.426 54.376 53.050 -0.166 0.000 0.849 268 N CB -0.315 37.954 38.487 -0.363 0.000 1.012 268 N HN 0.167 nan 8.380 nan 0.000 0.423 269 A N 0.241 123.007 122.820 -0.090 0.000 1.948 269 A HA -0.170 4.268 4.320 0.196 0.000 0.220 269 A C 1.895 179.434 177.584 -0.074 0.000 1.177 269 A CA 1.687 53.671 52.037 -0.088 0.000 0.636 269 A CB -0.524 18.429 19.000 -0.079 0.000 0.815 269 A HN 0.467 nan 8.150 nan 0.000 0.449 270 N N -1.158 117.512 118.700 -0.050 0.000 2.356 270 N HA 0.174 5.032 4.740 0.196 0.000 0.178 270 N C 1.253 176.769 175.510 0.010 0.000 1.075 270 N CA 0.625 53.660 53.050 -0.025 0.000 0.889 270 N CB 0.300 38.765 38.487 -0.036 0.000 0.999 270 N HN 0.476 nan 8.380 nan 0.000 0.464 271 L N -0.120 121.103 121.223 0.001 0.000 2.642 271 L HA 0.324 4.782 4.340 0.196 0.000 0.233 271 L C 2.258 179.157 176.870 0.049 0.000 1.077 271 L CA 0.035 54.842 54.840 -0.054 0.000 0.879 271 L CB -0.085 41.769 42.059 -0.342 0.000 1.151 271 L HN -0.087 nan 8.230 nan 0.000 0.495 272 A N 1.022 123.876 122.820 0.057 0.000 1.896 272 A HA -0.336 4.102 4.320 0.196 0.000 0.220 272 A C 2.141 179.695 177.584 -0.049 0.000 1.206 272 A CA 2.449 54.502 52.037 0.026 0.000 0.647 272 A CB -0.705 18.212 19.000 -0.140 0.000 0.828 272 A HN 0.506 nan 8.150 nan 0.000 0.455 273 E N -1.539 118.538 120.200 -0.205 0.000 2.208 273 E HA -0.259 4.209 4.350 0.196 0.000 0.202 273 E C 0.944 177.296 176.600 -0.414 0.000 1.014 273 E CA 1.772 57.945 56.400 -0.379 0.000 0.819 273 E CB -0.225 29.105 29.700 -0.615 0.000 0.735 273 E HN 0.809 nan 8.360 nan 0.000 0.469 274 Y N -1.486 118.800 120.300 -0.023 0.000 2.493 274 Y HA 0.216 4.884 4.550 0.196 0.000 0.275 274 Y C 0.221 176.163 175.900 0.070 0.000 1.183 274 Y CA -0.423 57.699 58.100 0.038 0.000 1.258 274 Y CB 0.498 39.013 38.460 0.091 0.000 1.108 274 Y HN 0.016 nan 8.280 nan 0.000 0.521 275 C N 1.339 120.720 119.300 0.135 0.000 3.276 275 C HA 0.530 5.108 4.460 0.196 0.000 0.226 275 C C 0.272 175.294 174.990 0.052 0.000 1.502 275 C CA -0.806 58.266 59.018 0.090 0.000 1.488 275 C CB -1.373 26.422 27.740 0.093 0.000 2.014 275 C HN 0.453 nan 8.230 nan 0.000 0.492 276 T N -1.677 112.897 114.554 0.034 0.000 2.916 276 T HA 0.738 5.205 4.350 0.196 0.000 0.305 276 T C -0.873 173.840 174.700 0.023 0.000 1.119 276 T CA -0.525 61.588 62.100 0.020 0.000 1.008 276 T CB 1.723 70.593 68.868 0.004 0.000 1.129 276 T HN 0.559 nan 8.240 nan 0.000 0.480 277 V N -0.725 119.204 119.914 0.024 0.000 2.445 277 V HA 0.790 5.028 4.120 0.196 0.000 0.283 277 V C -0.210 175.902 176.094 0.031 0.000 1.014 277 V CA -0.856 61.464 62.300 0.034 0.000 0.852 277 V CB 0.388 32.238 31.823 0.045 0.000 1.021 277 V HN 1.237 nan 8.190 nan 0.000 0.435 278 E N 4.012 124.228 120.200 0.028 0.000 2.246 278 E HA -0.105 4.363 4.350 0.196 0.000 0.211 278 E C 1.306 177.916 176.600 0.017 0.000 1.278 278 E CA 1.601 58.015 56.400 0.024 0.000 0.694 278 E CB -1.273 28.444 29.700 0.029 0.000 1.166 278 E HN 2.494 nan 8.360 nan 0.000 0.370 279 G N -0.200 108.607 108.800 0.011 0.000 2.377 279 G HA2 -0.433 3.645 3.960 0.196 0.000 0.250 279 G HA3 -0.433 3.645 3.960 0.196 0.000 0.250 279 G C 0.227 175.131 174.900 0.007 0.000 1.039 279 G CA 0.624 45.727 45.100 0.005 0.000 0.625 279 G HN 0.657 nan 8.290 nan 0.000 0.526 280 Q N 1.068 120.877 119.800 0.013 0.000 2.286 280 Q HA 0.571 5.029 4.340 0.196 0.000 0.257 280 Q C -0.022 175.988 176.000 0.017 0.000 0.941 280 Q CA -0.382 55.430 55.803 0.016 0.000 0.912 280 Q CB 0.767 29.518 28.738 0.022 0.000 1.192 280 Q HN 0.506 nan 8.270 nan 0.000 0.410 281 N N 3.666 122.376 118.700 0.016 0.000 2.434 281 N HA 0.217 5.075 4.740 0.196 0.000 0.272 281 N C -0.245 175.287 175.510 0.037 0.000 1.040 281 N CA -0.299 52.766 53.050 0.024 0.000 0.956 281 N CB 0.482 38.978 38.487 0.015 0.000 1.108 281 N HN 0.629 nan 8.380 nan 0.000 0.481 282 I N 2.023 122.618 120.570 0.042 0.000 3.491 282 I HA 0.166 4.454 4.170 0.196 0.000 0.332 282 I C 0.356 176.486 176.117 0.022 0.000 1.565 282 I CA -0.539 60.779 61.300 0.031 0.000 1.050 282 I CB -1.418 36.587 38.000 0.008 0.000 1.348 282 I HN 0.559 nan 8.210 nan 0.000 0.506 283 Y N 4.010 124.267 120.300 -0.072 0.000 2.062 283 Y HA -0.339 4.328 4.550 0.196 0.000 0.276 283 Y C 1.830 177.628 175.900 -0.170 0.000 1.189 283 Y CA 2.839 60.875 58.100 -0.106 0.000 1.130 283 Y CB -0.009 38.391 38.460 -0.099 0.000 0.959 283 Y HN 0.542 nan 8.280 nan 0.000 0.499 284 D N -0.374 120.034 120.400 0.013 0.000 2.346 284 D HA -0.061 4.697 4.640 0.196 0.000 0.248 284 D C 0.535 176.738 176.300 -0.162 0.000 1.173 284 D CA 0.621 54.539 54.000 -0.137 0.000 0.878 284 D CB -0.548 40.268 40.800 0.026 0.000 0.919 284 D HN 0.636 nan 8.370 nan 0.000 0.513 285 E N -0.935 119.168 120.200 -0.162 0.000 2.641 285 E HA 0.210 4.678 4.350 0.196 0.000 0.224 285 E C 1.182 177.814 176.600 0.053 0.000 0.951 285 E CA -0.275 56.172 56.400 0.080 0.000 1.102 285 E CB 0.731 30.484 29.700 0.089 0.000 1.091 285 E HN -0.031 nan 8.360 nan 0.000 0.507 286 R N -0.258 120.012 120.500 -0.383 0.000 2.561 286 R HA 0.224 4.682 4.340 0.196 0.000 0.213 286 R C 0.147 176.111 176.300 -0.561 0.000 0.885 286 R CA 0.333 56.217 56.100 -0.360 0.000 1.002 286 R CB 1.119 31.203 30.300 -0.361 0.000 1.432 286 R HN -0.118 nan 8.270 nan 0.000 0.651 287 V N 2.781 122.074 119.914 -1.035 0.000 2.394 287 V HA 0.435 4.673 4.120 0.196 0.000 0.282 287 V C -0.873 174.491 176.094 -1.217 0.000 1.031 287 V CA -0.380 61.360 62.300 -0.933 0.000 0.881 287 V CB 1.130 32.300 31.823 -1.087 0.000 0.982 287 V HN -0.070 nan 8.190 nan 0.000 0.451 288 F N 1.899 121.659 119.950 -0.316 0.000 2.536 288 F HA 0.462 5.107 4.527 0.196 0.000 0.322 288 F C 0.378 175.912 175.800 -0.443 0.000 1.144 288 F CA -0.914 56.884 58.000 -0.337 0.000 0.924 288 F CB 1.603 40.432 39.000 -0.285 0.000 1.181 288 F HN 0.453 nan 8.300 nan 0.000 0.438 289 E N 4.536 124.510 120.200 -0.378 0.000 2.257 289 E HA 0.510 4.978 4.350 0.196 0.000 0.278 289 E C -0.781 175.660 176.600 -0.266 0.000 1.049 289 E CA -0.102 55.927 56.400 -0.619 0.000 0.876 289 E CB 1.006 29.809 29.700 -1.494 0.000 1.035 289 E HN 0.480 nan 8.360 nan 0.000 0.419 290 L N 1.533 122.714 121.223 -0.071 0.000 2.327 290 L HA 0.489 4.946 4.340 0.196 0.000 0.258 290 L C -0.125 176.911 176.870 0.276 0.000 1.024 290 L CA -0.911 53.993 54.840 0.106 0.000 0.825 290 L CB 2.203 44.257 42.059 -0.008 0.000 1.386 290 L HN 0.360 nan 8.230 nan 0.000 0.417 291 S N -0.696 115.219 115.700 0.359 0.000 2.259 291 S HA 0.221 4.809 4.470 0.196 0.000 0.181 291 S C 0.642 175.425 174.600 0.304 0.000 1.589 291 S CA -0.515 57.861 58.200 0.293 0.000 1.234 291 S CB 0.762 64.099 63.200 0.229 0.000 1.119 291 S HN 0.625 nan 8.310 nan 0.000 0.458 292 S N 3.070 118.995 115.700 0.374 0.000 2.383 292 S HA -0.110 4.478 4.470 0.196 0.000 0.229 292 S C 1.663 176.306 174.600 0.072 0.000 1.030 292 S CA 1.320 59.710 58.200 0.316 0.000 1.002 292 S CB -0.344 63.104 63.200 0.412 0.000 0.829 292 S HN 0.774 nan 8.310 nan 0.000 0.467 293 I N 1.785 122.409 120.570 0.090 0.000 2.361 293 I HA -0.196 4.092 4.170 0.196 0.000 0.251 293 I C 2.170 178.288 176.117 0.002 0.000 1.133 293 I CA 1.550 62.873 61.300 0.039 0.000 1.413 293 I CB -0.303 37.729 38.000 0.053 0.000 1.073 293 I HN 0.280 nan 8.210 nan 0.000 0.424 294 Q N -0.435 119.372 119.800 0.012 0.000 2.212 294 Q HA 0.012 4.469 4.340 0.196 0.000 0.199 294 Q C 2.291 178.242 176.000 -0.083 0.000 0.950 294 Q CA 1.117 56.914 55.803 -0.011 0.000 0.863 294 Q CB -0.173 28.584 28.738 0.031 0.000 0.944 294 Q HN 0.627 nan 8.270 nan 0.000 0.465 295 A N 0.998 123.709 122.820 -0.182 0.000 1.855 295 A HA -0.169 4.269 4.320 0.196 0.000 0.215 295 A C 2.018 179.423 177.584 -0.299 0.000 1.191 295 A CA 0.977 52.786 52.037 -0.380 0.000 0.613 295 A CB -0.692 17.696 19.000 -1.020 0.000 0.829 295 A HN 0.325 nan 8.150 nan 0.000 0.442 296 L N 0.188 121.261 121.223 -0.249 0.000 1.971 296 L HA -0.219 4.238 4.340 0.196 0.000 0.215 296 L C 2.484 179.289 176.870 -0.108 0.000 1.072 296 L CA 2.706 57.449 54.840 -0.162 0.000 0.758 296 L CB -0.833 41.167 42.059 -0.097 0.000 0.889 296 L HN 0.519 nan 8.230 nan 0.000 0.433 297 R N -0.721 119.732 120.500 -0.078 0.000 2.134 297 R HA -0.237 4.221 4.340 0.196 0.000 0.248 297 R C 2.428 178.695 176.300 -0.055 0.000 1.143 297 R CA 2.242 58.311 56.100 -0.051 0.000 0.957 297 R CB -0.262 30.018 30.300 -0.033 0.000 0.867 297 R HN 0.405 nan 8.270 nan 0.000 0.441 298 R N -0.461 119.997 120.500 -0.070 0.000 2.096 298 R HA -0.041 4.417 4.340 0.196 0.000 0.235 298 R C 2.129 178.390 176.300 -0.066 0.000 1.127 298 R CA 1.073 57.136 56.100 -0.062 0.000 0.968 298 R CB -0.165 30.093 30.300 -0.069 0.000 0.861 298 R HN 0.189 nan 8.270 nan 0.000 0.440 299 R N 0.760 121.206 120.500 -0.090 0.000 2.323 299 R HA 0.049 4.506 4.340 0.196 0.000 0.198 299 R C 1.845 178.109 176.300 -0.059 0.000 0.988 299 R CA 0.530 56.581 56.100 -0.081 0.000 1.041 299 R CB -0.053 30.180 30.300 -0.111 0.000 0.926 299 R HN 0.322 nan 8.270 nan 0.000 0.476 300 L N -0.195 120.997 121.223 -0.053 0.000 2.416 300 L HA 0.043 4.501 4.340 0.196 0.000 0.216 300 L C 1.741 178.595 176.870 -0.027 0.000 1.098 300 L CA 0.785 55.602 54.840 -0.038 0.000 0.840 300 L CB -0.070 41.968 42.059 -0.034 0.000 0.981 300 L HN 0.020 nan 8.230 nan 0.000 0.462 301 K N 0.200 120.584 120.400 -0.028 0.000 2.379 301 K HA 0.082 4.520 4.320 0.196 0.000 0.194 301 K C 0.174 176.762 176.600 -0.020 0.000 1.031 301 K CA 0.175 56.450 56.287 -0.020 0.000 1.037 301 K CB 0.279 32.767 32.500 -0.019 0.000 0.824 301 K HN 0.261 nan 8.250 nan 0.000 0.516 302 N N -0.441 118.244 118.700 -0.025 0.000 5.024 302 N HA 0.008 4.866 4.740 0.196 0.000 0.160 302 N C -2.957 172.536 175.510 -0.029 0.000 1.071 302 N CA -0.693 52.344 53.050 -0.022 0.000 1.071 302 N CB 1.319 39.795 38.487 -0.018 0.000 1.562 302 N HN -0.331 nan 8.380 nan 0.000 0.985 303 P HA -0.044 nan 4.420 nan 0.000 0.223 303 P C 0.483 177.767 177.300 -0.027 0.000 1.151 303 P CA 0.889 63.971 63.100 -0.031 0.000 0.787 303 P CB 0.226 31.912 31.700 -0.023 0.000 0.788 304 Q N -0.603 119.185 119.800 -0.020 0.000 2.253 304 Q HA 0.246 4.704 4.340 0.196 0.000 0.210 304 Q C 0.356 176.346 176.000 -0.017 0.000 0.907 304 Q CA -0.211 55.583 55.803 -0.015 0.000 0.948 304 Q CB -0.172 28.559 28.738 -0.011 0.000 1.033 304 Q HN 0.121 nan 8.270 nan 0.000 0.471 305 A N 1.389 124.194 122.820 -0.025 0.000 2.401 305 A HA 0.086 4.524 4.320 0.196 0.000 0.259 305 A C 0.159 177.728 177.584 -0.025 0.000 1.103 305 A CA -0.442 51.579 52.037 -0.026 0.000 0.789 305 A CB 0.325 19.304 19.000 -0.036 0.000 1.035 305 A HN 0.167 nan 8.150 nan 0.000 0.491 306 D N 1.869 122.259 120.400 -0.016 0.000 2.424 306 D HA 0.096 4.854 4.640 0.196 0.000 0.244 306 D C 0.324 176.616 176.300 -0.013 0.000 1.134 306 D CA 0.155 54.149 54.000 -0.009 0.000 0.881 306 D CB 0.643 41.442 40.800 -0.002 0.000 1.191 306 D HN 0.464 nan 8.370 nan 0.000 0.445 307 L N 2.258 123.478 121.223 -0.005 0.000 2.766 307 L HA 0.100 4.557 4.340 0.196 0.000 0.242 307 L C 0.272 177.164 176.870 0.036 0.000 1.136 307 L CA -0.469 54.370 54.840 -0.002 0.000 0.933 307 L CB 0.182 42.239 42.059 -0.003 0.000 1.241 307 L HN 0.256 nan 8.230 nan 0.000 0.522 308 D N 1.840 122.260 120.400 0.033 0.000 2.586 308 D HA 0.132 4.890 4.640 0.196 0.000 0.234 308 D C 1.274 177.608 176.300 0.055 0.000 1.132 308 D CA 1.641 55.668 54.000 0.045 0.000 0.860 308 D CB 1.085 41.904 40.800 0.032 0.000 1.159 308 D HN 0.392 nan 8.370 nan 0.000 0.490 309 G N 1.841 110.687 108.800 0.077 0.000 2.218 309 G HA2 -0.306 3.772 3.960 0.196 0.000 0.216 309 G HA3 -0.306 3.772 3.960 0.196 0.000 0.216 309 G C 1.022 175.994 174.900 0.121 0.000 0.994 309 G CA 0.632 45.786 45.100 0.089 0.000 0.637 309 G HN 0.636 nan 8.290 nan 0.000 0.505 310 T N -2.402 112.236 114.554 0.140 0.000 3.014 310 T HA 0.472 4.940 4.350 0.196 0.000 0.250 310 T C 2.379 177.260 174.700 0.302 0.000 1.060 310 T CA 1.973 64.196 62.100 0.205 0.000 1.040 310 T CB 0.546 69.508 68.868 0.156 0.000 0.971 310 T HN 2.196 nan 8.240 nan 0.000 0.497 311 G N 0.386 109.322 108.800 0.227 0.000 2.258 311 G HA2 -0.270 3.808 3.960 0.196 0.000 0.233 311 G HA3 -0.270 3.808 3.960 0.196 0.000 0.233 311 G C 0.676 175.661 174.900 0.141 0.000 1.006 311 G CA 0.148 45.340 45.100 0.154 0.000 0.620 311 G HN 0.467 nan 8.290 nan 0.000 0.511 312 F N 2.083 122.061 119.950 0.046 0.000 2.065 312 F HA -0.030 4.615 4.527 0.196 0.000 0.298 312 F C 0.828 176.585 175.800 -0.071 0.000 1.112 312 F CA 2.523 60.554 58.000 0.052 0.000 1.212 312 F CB -1.171 37.850 39.000 0.036 0.000 0.975 312 F HN 0.256 nan 8.300 nan 0.000 0.476 313 P HA -0.256 nan 4.420 nan 0.000 0.214 313 P C 1.367 178.576 177.300 -0.151 0.000 1.169 313 P CA 2.049 65.124 63.100 -0.042 0.000 0.908 313 P CB -0.086 31.616 31.700 0.003 0.000 0.791 314 K N -1.742 118.594 120.400 -0.106 0.000 2.074 314 K HA -0.214 4.224 4.320 0.196 0.000 0.209 314 K C 2.038 178.363 176.600 -0.458 0.000 1.048 314 K CA 1.567 57.776 56.287 -0.132 0.000 0.926 314 K CB -0.674 31.843 32.500 0.027 0.000 0.713 314 K HN 0.025 nan 8.250 nan 0.000 0.444 315 F N 1.180 120.568 119.950 -0.937 0.000 2.084 315 F HA -0.152 4.492 4.527 0.196 0.000 0.296 315 F C 1.964 177.194 175.800 -0.949 0.000 1.111 315 F CA 1.550 58.550 58.000 -1.667 0.000 1.224 315 F CB -0.504 37.723 39.000 -1.287 0.000 0.991 315 F HN -0.036 nan 8.300 nan 0.000 0.471 316 M N 0.265 119.159 119.600 -1.177 0.000 2.149 316 M HA -0.235 4.363 4.480 0.196 0.000 0.261 316 M C 1.727 177.514 176.300 -0.855 0.000 1.064 316 M CA 1.899 56.472 55.300 -1.212 0.000 1.102 316 M CB -0.688 31.447 32.600 -0.775 0.000 1.369 316 M HN 0.143 nan 8.290 nan 0.000 0.408 317 D N -0.128 119.954 120.400 -0.529 0.000 2.144 317 D HA -0.091 4.667 4.640 0.196 0.000 0.199 317 D C 2.074 178.222 176.300 -0.253 0.000 0.984 317 D CA 1.211 55.019 54.000 -0.321 0.000 0.834 317 D CB -0.159 40.534 40.800 -0.178 0.000 0.955 317 D HN 0.231 nan 8.370 nan 0.000 0.465 318 S N 0.620 116.178 115.700 -0.236 0.000 2.348 318 S HA -0.135 4.453 4.470 0.196 0.000 0.221 318 S C 1.907 176.522 174.600 0.024 0.000 1.033 318 S CA 0.452 58.672 58.200 0.034 0.000 1.010 318 S CB -0.326 63.081 63.200 0.345 0.000 0.891 318 S HN 0.176 nan 8.310 nan 0.000 0.442 319 L N 2.715 123.706 121.223 -0.388 0.000 2.079 319 L HA -0.121 4.337 4.340 0.196 0.000 0.210 319 L C 1.904 178.637 176.870 -0.229 0.000 1.081 319 L CA 1.763 56.326 54.840 -0.462 0.000 0.752 319 L CB -0.881 40.521 42.059 -1.096 0.000 0.896 319 L HN 0.223 nan 8.230 nan 0.000 0.433 320 N N -1.060 117.395 118.700 -0.410 0.000 2.025 320 N HA -0.198 4.659 4.740 0.196 0.000 0.194 320 N C 1.724 177.226 175.510 -0.014 0.000 1.044 320 N CA 2.342 55.307 53.050 -0.142 0.000 0.851 320 N CB -0.608 37.785 38.487 -0.158 0.000 1.036 320 N HN 0.416 nan 8.380 nan 0.000 0.422 321 T N 0.324 114.861 114.554 -0.028 0.000 2.597 321 T HA -0.198 4.270 4.350 0.196 0.000 0.267 321 T C 1.584 176.335 174.700 0.085 0.000 1.053 321 T CA 1.634 63.733 62.100 -0.002 0.000 1.165 321 T CB -0.828 68.058 68.868 0.031 0.000 0.863 321 T HN 0.344 nan 8.240 nan 0.000 0.427 322 F N 1.727 121.723 119.950 0.077 0.000 2.043 322 F HA -0.151 4.493 4.527 0.196 0.000 0.297 322 F C 2.074 177.976 175.800 0.169 0.000 1.121 322 F CA 1.419 59.514 58.000 0.158 0.000 1.199 322 F CB -0.661 38.522 39.000 0.306 0.000 0.968 322 F HN 0.066 nan 8.300 nan 0.000 0.478 323 L N -0.348 120.963 121.223 0.147 0.000 1.976 323 L HA -0.223 4.235 4.340 0.196 0.000 0.209 323 L C 2.592 179.510 176.870 0.080 0.000 1.071 323 L CA 2.204 57.085 54.840 0.067 0.000 0.746 323 L CB -1.446 40.541 42.059 -0.120 0.000 0.890 323 L HN 0.387 nan 8.230 nan 0.000 0.432 324 T N -3.275 111.258 114.554 -0.036 0.000 3.043 324 T HA -0.044 4.424 4.350 0.196 0.000 0.263 324 T C 1.705 176.431 174.700 0.043 0.000 1.094 324 T CA 0.345 62.458 62.100 0.021 0.000 1.127 324 T CB -0.034 68.812 68.868 -0.037 0.000 0.905 324 T HN 0.267 nan 8.240 nan 0.000 0.490 325 R N 0.069 120.522 120.500 -0.079 0.000 2.509 325 R HA 0.402 4.860 4.340 0.196 0.000 0.300 325 R C 1.070 177.360 176.300 -0.017 0.000 0.985 325 R CA 0.067 56.093 56.100 -0.124 0.000 1.092 325 R CB 0.558 30.608 30.300 -0.418 0.000 1.237 325 R HN 0.510 nan 8.270 nan 0.000 0.546 326 E N -0.599 119.579 120.200 -0.037 0.000 3.701 326 E HA 0.127 4.595 4.350 0.196 0.000 0.206 326 E C 1.331 177.868 176.600 -0.106 0.000 1.229 326 E CA -0.464 55.893 56.400 -0.071 0.000 1.573 326 E CB 0.434 30.059 29.700 -0.125 0.000 1.449 326 E HN -0.082 nan 8.360 nan 0.000 0.618 327 R N 1.349 121.719 120.500 -0.216 0.000 2.096 327 R HA 0.049 4.506 4.340 0.196 0.000 0.235 327 R C 2.056 178.320 176.300 -0.059 0.000 1.127 327 R CA 1.425 57.434 56.100 -0.152 0.000 0.968 327 R CB -0.938 29.262 30.300 -0.166 0.000 0.861 327 R HN 0.211 nan 8.270 nan 0.000 0.440 328 A N 1.543 124.388 122.820 0.041 0.000 1.873 328 A HA -0.096 4.342 4.320 0.196 0.000 0.215 328 A C 2.175 179.791 177.584 0.054 0.000 1.186 328 A CA 1.042 53.113 52.037 0.056 0.000 0.616 328 A CB -0.376 18.740 19.000 0.193 0.000 0.823 328 A HN 0.062 nan 8.150 nan 0.000 0.442 329 I N 0.208 120.832 120.570 0.090 0.000 2.069 329 I HA -0.319 3.968 4.170 0.196 0.000 0.237 329 I C 3.039 179.227 176.117 0.117 0.000 1.053 329 I CA 1.703 63.081 61.300 0.129 0.000 1.311 329 I CB -1.723 36.348 38.000 0.119 0.000 1.030 329 I HN 0.382 nan 8.210 nan 0.000 0.398 330 A N 0.282 123.126 122.820 0.040 0.000 1.884 330 A HA -0.288 4.150 4.320 0.196 0.000 0.219 330 A C 2.297 179.848 177.584 -0.054 0.000 1.197 330 A CA 2.383 54.412 52.037 -0.013 0.000 0.637 330 A CB -0.903 18.071 19.000 -0.042 0.000 0.827 330 A HN 0.532 nan 8.150 nan 0.000 0.450 331 E N -0.527 119.632 120.200 -0.069 0.000 2.051 331 E HA -0.110 4.358 4.350 0.196 0.000 0.192 331 E C 2.036 178.587 176.600 -0.083 0.000 0.991 331 E CA 1.133 57.468 56.400 -0.108 0.000 0.799 331 E CB -0.236 29.381 29.700 -0.139 0.000 0.748 331 E HN 0.632 nan 8.360 nan 0.000 0.449 332 L N 0.375 121.589 121.223 -0.015 0.000 2.017 332 L HA -0.188 4.270 4.340 0.196 0.000 0.208 332 L C 2.709 179.548 176.870 -0.051 0.000 1.073 332 L CA 1.173 56.028 54.840 0.024 0.000 0.745 332 L CB -0.378 41.772 42.059 0.152 0.000 0.894 332 L HN 0.100 nan 8.230 nan 0.000 0.432 333 R N 0.064 120.536 120.500 -0.046 0.000 2.117 333 R HA -0.253 4.205 4.340 0.196 0.000 0.243 333 R C 2.284 178.403 176.300 -0.302 0.000 1.143 333 R CA 1.832 57.727 56.100 -0.341 0.000 0.968 333 R CB -0.154 30.044 30.300 -0.170 0.000 0.863 333 R HN 0.440 nan 8.270 nan 0.000 0.444 334 Q N -0.445 119.227 119.800 -0.213 0.000 2.084 334 Q HA -0.142 4.316 4.340 0.196 0.000 0.202 334 Q C 2.147 178.017 176.000 -0.217 0.000 0.978 334 Q CA 1.879 57.542 55.803 -0.234 0.000 0.844 334 Q CB 0.063 28.660 28.738 -0.235 0.000 0.898 334 Q HN 0.241 nan 8.270 nan 0.000 0.426 335 V N 0.827 120.637 119.914 -0.174 0.000 2.332 335 V HA -0.319 3.919 4.120 0.196 0.000 0.248 335 V C 2.309 178.311 176.094 -0.153 0.000 1.055 335 V CA 2.111 64.329 62.300 -0.136 0.000 1.038 335 V CB -0.640 31.127 31.823 -0.095 0.000 0.651 335 V HN 0.344 nan 8.190 nan 0.000 0.450 336 R N -0.191 120.178 120.500 -0.218 0.000 2.073 336 R HA -0.174 4.283 4.340 0.196 0.000 0.234 336 R C 2.421 178.600 176.300 -0.202 0.000 1.134 336 R CA 2.126 58.085 56.100 -0.236 0.000 0.952 336 R CB -0.532 29.522 30.300 -0.410 0.000 0.850 336 R HN 0.541 nan 8.270 nan 0.000 0.433 337 T N 1.720 116.136 114.554 -0.230 0.000 2.665 337 T HA -0.186 4.282 4.350 0.196 0.000 0.268 337 T C 1.654 176.260 174.700 -0.156 0.000 1.035 337 T CA 1.406 63.385 62.100 -0.202 0.000 1.151 337 T CB -0.247 68.477 68.868 -0.240 0.000 0.862 337 T HN 0.133 nan 8.240 nan 0.000 0.438 338 L N 1.060 122.194 121.223 -0.149 0.000 2.083 338 L HA 0.085 4.543 4.340 0.196 0.000 0.209 338 L C 2.584 179.428 176.870 -0.043 0.000 1.083 338 L CA 1.723 56.513 54.840 -0.083 0.000 0.752 338 L CB -0.935 41.083 42.059 -0.069 0.000 0.899 338 L HN 0.235 nan 8.230 nan 0.000 0.433 339 A N -0.647 122.136 122.820 -0.062 0.000 1.898 339 A HA -0.179 4.259 4.320 0.196 0.000 0.216 339 A C 2.385 179.946 177.584 -0.038 0.000 1.181 339 A CA 1.495 53.507 52.037 -0.042 0.000 0.620 339 A CB -0.462 18.507 19.000 -0.053 0.000 0.819 339 A HN 0.464 nan 8.150 nan 0.000 0.442 340 R N -0.522 119.942 120.500 -0.061 0.000 2.096 340 R HA -0.021 4.437 4.340 0.196 0.000 0.235 340 R C 2.040 178.322 176.300 -0.029 0.000 1.127 340 R CA 1.297 57.366 56.100 -0.052 0.000 0.968 340 R CB -0.539 29.715 30.300 -0.077 0.000 0.861 340 R HN 0.481 nan 8.270 nan 0.000 0.440 341 L N 0.301 121.506 121.223 -0.030 0.000 1.989 341 L HA -0.212 4.246 4.340 0.196 0.000 0.211 341 L C 2.742 179.640 176.870 0.048 0.000 1.071 341 L CA 1.455 56.295 54.840 -0.001 0.000 0.749 341 L CB -0.664 41.398 42.059 0.005 0.000 0.890 341 L HN 0.262 nan 8.230 nan 0.000 0.431 342 A N -0.977 121.872 122.820 0.049 0.000 1.883 342 A HA -0.318 4.120 4.320 0.196 0.000 0.217 342 A C 2.492 180.110 177.584 0.056 0.000 1.186 342 A CA 2.039 54.119 52.037 0.071 0.000 0.624 342 A CB -1.432 17.595 19.000 0.044 0.000 0.822 342 A HN 0.623 nan 8.150 nan 0.000 0.444 343 C N -0.041 119.273 119.300 0.023 0.000 2.413 343 C HA -0.149 4.428 4.460 0.196 0.000 0.277 343 C C 2.680 177.682 174.990 0.020 0.000 1.228 343 C CA 1.586 60.609 59.018 0.008 0.000 1.731 343 C CB -1.594 26.141 27.740 -0.008 0.000 2.042 343 C HN 0.670 nan 8.230 nan 0.000 0.468 344 N N -0.026 118.692 118.700 0.031 0.000 2.084 344 N HA -0.153 4.704 4.740 0.196 0.000 0.190 344 N C 1.600 177.169 175.510 0.098 0.000 1.030 344 N CA 1.894 54.970 53.050 0.044 0.000 0.849 344 N CB -1.136 37.369 38.487 0.030 0.000 1.012 344 N HN 0.711 nan 8.380 nan 0.000 0.423 345 H N 0.977 120.047 119.070 0.001 0.000 2.319 345 H HA -0.051 4.623 4.556 0.196 0.000 0.297 345 H C 1.593 176.926 175.328 0.007 0.000 1.097 345 H CA 2.091 58.146 56.048 0.012 0.000 1.285 345 H CB -0.548 29.225 29.762 0.019 0.000 1.368 345 H HN 0.129 nan 8.280 nan 0.000 0.495 346 T N 0.532 115.060 114.554 -0.043 0.000 2.643 346 T HA -0.146 4.322 4.350 0.196 0.000 0.264 346 T C 2.117 176.770 174.700 -0.078 0.000 1.045 346 T CA 1.471 63.498 62.100 -0.121 0.000 1.155 346 T CB -0.236 68.591 68.868 -0.069 0.000 0.863 346 T HN 0.293 nan 8.240 nan 0.000 0.420 347 R N 1.048 121.528 120.500 -0.034 0.000 2.122 347 R HA -0.205 4.253 4.340 0.196 0.000 0.236 347 R C 2.435 178.722 176.300 -0.022 0.000 1.129 347 R CA 2.240 58.323 56.100 -0.028 0.000 0.925 347 R CB -0.239 30.054 30.300 -0.011 0.000 0.850 347 R HN 0.531 nan 8.270 nan 0.000 0.431 348 E N -0.340 119.865 120.200 0.008 0.000 2.058 348 E HA -0.231 4.237 4.350 0.196 0.000 0.194 348 E C 2.028 178.635 176.600 0.013 0.000 0.997 348 E CA 1.226 57.641 56.400 0.025 0.000 0.801 348 E CB -0.248 29.492 29.700 0.066 0.000 0.746 348 E HN 0.513 nan 8.360 nan 0.000 0.450 349 A N 1.105 123.917 122.820 -0.013 0.000 1.884 349 A HA -0.241 4.197 4.320 0.196 0.000 0.219 349 A C 2.572 180.133 177.584 -0.039 0.000 1.197 349 A CA 1.930 53.941 52.037 -0.043 0.000 0.637 349 A CB -1.034 17.869 19.000 -0.163 0.000 0.827 349 A HN 0.150 nan 8.150 nan 0.000 0.450 350 V N -0.262 119.616 119.914 -0.061 0.000 2.295 350 V HA -0.249 3.988 4.120 0.196 0.000 0.246 350 V C 3.027 179.091 176.094 -0.050 0.000 1.049 350 V CA 1.993 64.252 62.300 -0.068 0.000 1.024 350 V CB -1.323 30.442 31.823 -0.097 0.000 0.648 350 V HN 0.654 nan 8.190 nan 0.000 0.447 351 A N -0.541 122.258 122.820 -0.034 0.000 2.076 351 A HA -0.224 4.214 4.320 0.196 0.000 0.220 351 A C 2.378 179.966 177.584 0.008 0.000 1.160 351 A CA 1.761 53.790 52.037 -0.013 0.000 0.653 351 A CB -0.460 18.539 19.000 -0.002 0.000 0.801 351 A HN 0.540 nan 8.150 nan 0.000 0.455 352 R N -1.632 118.875 120.500 0.011 0.000 2.140 352 R HA 0.065 4.523 4.340 0.196 0.000 0.213 352 R C 2.430 178.743 176.300 0.022 0.000 1.059 352 R CA 0.972 57.088 56.100 0.026 0.000 1.000 352 R CB -0.111 30.214 30.300 0.041 0.000 0.910 352 R HN 0.593 nan 8.270 nan 0.000 0.455 353 R N 0.967 121.472 120.500 0.008 0.000 2.055 353 R HA -0.037 4.420 4.340 0.196 0.000 0.226 353 R C 2.030 178.341 176.300 0.019 0.000 1.135 353 R CA 0.973 57.078 56.100 0.009 0.000 0.959 353 R CB -0.135 30.161 30.300 -0.006 0.000 0.854 353 R HN -0.027 nan 8.270 nan 0.000 0.431 354 I N 2.254 122.831 120.570 0.012 0.000 2.093 354 I HA -0.287 4.000 4.170 0.196 0.000 0.239 354 I C -0.628 175.538 176.117 0.082 0.000 1.026 354 I CA 2.069 63.403 61.300 0.057 0.000 1.295 354 I CB -2.294 35.740 38.000 0.055 0.000 1.007 354 I HN 0.267 nan 8.210 nan 0.000 0.401 355 P HA -0.167 nan 4.420 nan 0.000 0.215 355 P C 2.168 179.495 177.300 0.044 0.000 1.153 355 P CA 1.654 64.790 63.100 0.060 0.000 0.853 355 P CB -0.178 31.552 31.700 0.049 0.000 0.788 356 L N -1.277 119.967 121.223 0.036 0.000 2.362 356 L HA -0.078 4.380 4.340 0.196 0.000 0.219 356 L C 2.738 179.624 176.870 0.027 0.000 1.134 356 L CA 0.642 55.499 54.840 0.027 0.000 0.807 356 L CB -0.830 41.242 42.059 0.022 0.000 0.927 356 L HN -0.074 nan 8.230 nan 0.000 0.447 357 L N -0.432 120.813 121.223 0.037 0.000 2.127 357 L HA -0.196 4.262 4.340 0.196 0.000 0.211 357 L C 2.680 179.569 176.870 0.033 0.000 1.089 357 L CA 1.038 55.901 54.840 0.038 0.000 0.757 357 L CB -0.368 41.725 42.059 0.057 0.000 0.899 357 L HN 0.314 nan 8.230 nan 0.000 0.434 358 E N -0.473 119.748 120.200 0.034 0.000 2.051 358 E HA -0.058 4.409 4.350 0.196 0.000 0.189 358 E C 0.849 177.459 176.600 0.016 0.000 0.979 358 E CA 0.359 56.773 56.400 0.024 0.000 0.803 358 E CB -0.213 29.500 29.700 0.023 0.000 0.761 358 E HN 0.422 nan 8.360 nan 0.000 0.451 359 Q N 1.930 121.740 119.800 0.016 0.000 2.369 359 Q HA 0.013 4.471 4.340 0.196 0.000 0.295 359 Q C -0.405 175.600 176.000 0.008 0.000 1.075 359 Q CA 0.631 56.441 55.803 0.011 0.000 0.941 359 Q CB 0.032 28.777 28.738 0.011 0.000 1.260 359 Q HN 0.090 nan 8.270 nan 0.000 0.417 360 D N -0.276 120.127 120.400 0.005 0.000 2.312 360 D HA 0.105 4.863 4.640 0.196 0.000 0.248 360 D C 1.380 177.680 176.300 0.001 0.000 1.086 360 D CA -0.471 53.531 54.000 0.003 0.000 0.948 360 D CB 0.940 41.741 40.800 0.002 0.000 1.162 360 D HN 0.163 nan 8.370 nan 0.000 0.446 361 V N 1.681 121.595 119.914 -0.001 0.000 2.252 361 V HA -0.389 3.849 4.120 0.196 0.000 0.255 361 V C 1.615 177.705 176.094 -0.006 0.000 1.071 361 V CA 2.139 64.437 62.300 -0.003 0.000 1.050 361 V CB -0.840 30.981 31.823 -0.004 0.000 0.654 361 V HN 0.502 nan 8.190 nan 0.000 0.448 362 N N 0.116 118.813 118.700 -0.005 0.000 2.058 362 N HA -0.187 4.671 4.740 0.196 0.000 0.191 362 N C 1.867 177.374 175.510 -0.007 0.000 1.037 362 N CA 1.428 54.475 53.050 -0.006 0.000 0.848 362 N CB -0.435 38.050 38.487 -0.005 0.000 1.021 362 N HN 0.591 nan 8.380 nan 0.000 0.422 363 E N 0.722 120.920 120.200 -0.004 0.000 2.204 363 E HA -0.064 4.403 4.350 0.196 0.000 0.195 363 E C 1.692 178.290 176.600 -0.004 0.000 0.990 363 E CA 0.630 57.028 56.400 -0.003 0.000 0.821 363 E CB -0.285 29.415 29.700 0.000 0.000 0.750 363 E HN 0.379 nan 8.360 nan 0.000 0.477 364 L N 0.131 121.351 121.223 -0.006 0.000 2.007 364 L HA -0.122 4.335 4.340 0.196 0.000 0.205 364 L C 2.154 179.013 176.870 -0.017 0.000 1.073 364 L CA 1.384 56.219 54.840 -0.008 0.000 0.744 364 L CB -0.245 41.810 42.059 -0.007 0.000 0.898 364 L HN 0.111 nan 8.230 nan 0.000 0.435 365 K N -0.085 120.303 120.400 -0.020 0.000 2.211 365 K HA -0.272 4.166 4.320 0.196 0.000 0.204 365 K C 1.979 178.561 176.600 -0.029 0.000 1.047 365 K CA 1.341 57.611 56.287 -0.029 0.000 0.935 365 K CB -0.114 32.371 32.500 -0.025 0.000 0.728 365 K HN 0.283 nan 8.250 nan 0.000 0.452 366 K N 1.512 121.901 120.400 -0.020 0.000 2.025 366 K HA -0.132 4.306 4.320 0.196 0.000 0.207 366 K C 2.124 178.712 176.600 -0.019 0.000 1.049 366 K CA 1.201 57.478 56.287 -0.017 0.000 0.933 366 K CB 0.080 32.574 32.500 -0.010 0.000 0.714 366 K HN -0.013 nan 8.250 nan 0.000 0.438 367 R N 0.351 120.842 120.500 -0.016 0.000 2.075 367 R HA -0.023 4.435 4.340 0.196 0.000 0.232 367 R C 2.361 178.644 176.300 -0.028 0.000 1.126 367 R CA 1.556 57.648 56.100 -0.013 0.000 0.963 367 R CB -0.277 30.021 30.300 -0.004 0.000 0.858 367 R HN 0.251 nan 8.270 nan 0.000 0.435 368 I N 0.925 121.467 120.570 -0.046 0.000 2.142 368 I HA -0.281 4.007 4.170 0.196 0.000 0.240 368 I C 1.441 177.493 176.117 -0.108 0.000 1.078 368 I CA 1.326 62.572 61.300 -0.090 0.000 1.343 368 I CB -0.308 37.632 38.000 -0.101 0.000 1.046 368 I HN 0.123 nan 8.210 nan 0.000 0.405 369 D N 0.184 120.537 120.400 -0.077 0.000 2.221 369 D HA -0.181 4.576 4.640 0.196 0.000 0.204 369 D C 2.250 178.521 176.300 -0.048 0.000 0.982 369 D CA 1.337 55.297 54.000 -0.067 0.000 0.857 369 D CB -0.223 40.550 40.800 -0.044 0.000 0.934 369 D HN 0.212 nan 8.370 nan 0.000 0.475 370 S N 0.065 115.744 115.700 -0.035 0.000 2.400 370 S HA -0.136 4.451 4.470 0.196 0.000 0.232 370 S C 1.841 176.440 174.600 -0.003 0.000 1.025 370 S CA 1.521 59.712 58.200 -0.014 0.000 0.993 370 S CB -0.016 63.180 63.200 -0.006 0.000 0.808 370 S HN 0.193 nan 8.310 nan 0.000 0.478 371 V N -1.028 118.878 119.914 -0.014 0.000 3.621 371 V HA 0.393 4.631 4.120 0.196 0.000 0.285 371 V C 1.945 178.064 176.094 0.042 0.000 1.346 371 V CA 0.919 63.242 62.300 0.038 0.000 1.104 371 V CB -0.501 31.378 31.823 0.094 0.000 0.913 371 V HN 0.326 nan 8.190 nan 0.000 0.432 372 E N 3.080 123.252 120.200 -0.047 0.000 2.136 372 E HA -0.175 4.293 4.350 0.196 0.000 0.202 372 E C 0.146 176.780 176.600 0.058 0.000 1.019 372 E CA 2.834 59.209 56.400 -0.042 0.000 0.819 372 E CB -1.336 28.333 29.700 -0.052 0.000 0.739 372 E HN 0.567 nan 8.360 nan 0.000 0.458 373 P HA -0.119 nan 4.420 nan 0.000 0.221 373 P C 0.693 178.039 177.300 0.076 0.000 1.150 373 P CA 1.177 64.309 63.100 0.054 0.000 0.800 373 P CB 0.110 31.829 31.700 0.032 0.000 0.787 374 E N -0.418 119.850 120.200 0.113 0.000 2.072 374 E HA -0.089 4.379 4.350 0.196 0.000 0.190 374 E C 2.085 178.749 176.600 0.106 0.000 0.982 374 E CA 0.840 57.299 56.400 0.097 0.000 0.803 374 E CB -1.104 28.668 29.700 0.119 0.000 0.755 374 E HN 0.251 nan 8.360 nan 0.000 0.453 375 F N 2.621 122.544 119.950 -0.044 0.000 2.095 375 F HA -0.155 4.490 4.527 0.196 0.000 0.298 375 F C 2.141 177.919 175.800 -0.037 0.000 1.104 375 F CA 1.098 59.071 58.000 -0.045 0.000 1.232 375 F CB -0.708 38.279 39.000 -0.022 0.000 0.987 375 F HN 0.027 nan 8.300 nan 0.000 0.475 376 N N 0.486 119.288 118.700 0.170 0.000 2.137 376 N HA -0.191 4.667 4.740 0.196 0.000 0.190 376 N C 1.785 177.319 175.510 0.040 0.000 1.017 376 N CA 1.254 54.356 53.050 0.087 0.000 0.859 376 N CB -0.423 38.105 38.487 0.068 0.000 1.002 376 N HN 0.356 nan 8.380 nan 0.000 0.428 377 K N 0.809 121.221 120.400 0.020 0.000 2.063 377 K HA -0.048 4.390 4.320 0.196 0.000 0.208 377 K C 2.184 178.761 176.600 -0.038 0.000 1.048 377 K CA 0.756 57.038 56.287 -0.008 0.000 0.928 377 K CB -0.225 32.260 32.500 -0.026 0.000 0.713 377 K HN 0.151 nan 8.250 nan 0.000 0.442 378 L N 0.588 121.739 121.223 -0.120 0.000 2.042 378 L HA -0.198 4.260 4.340 0.196 0.000 0.210 378 L C 2.281 179.140 176.870 -0.018 0.000 1.076 378 L CA 1.380 56.104 54.840 -0.194 0.000 0.749 378 L CB -0.776 41.037 42.059 -0.411 0.000 0.893 378 L HN 0.219 nan 8.230 nan 0.000 0.432 379 T N -0.620 113.930 114.554 -0.006 0.000 2.962 379 T HA -0.082 4.385 4.350 0.196 0.000 0.270 379 T C 1.804 176.527 174.700 0.039 0.000 1.088 379 T CA 1.024 63.137 62.100 0.022 0.000 1.127 379 T CB -0.365 68.524 68.868 0.034 0.000 0.883 379 T HN 0.571 nan 8.240 nan 0.000 0.493 380 G N 1.609 110.437 108.800 0.046 0.000 2.421 380 G HA2 -0.075 4.003 3.960 0.196 0.000 0.217 380 G HA3 -0.075 4.003 3.960 0.196 0.000 0.217 380 G C 1.417 176.391 174.900 0.123 0.000 1.143 380 G CA 0.220 45.362 45.100 0.069 0.000 0.784 380 G HN 0.421 nan 8.290 nan 0.000 0.541 381 I N 0.385 121.044 120.570 0.148 0.000 2.286 381 I HA -0.009 4.279 4.170 0.196 0.000 0.245 381 I C 2.590 178.801 176.117 0.157 0.000 1.104 381 I CA 0.648 62.110 61.300 0.270 0.000 1.397 381 I CB -0.882 37.323 38.000 0.342 0.000 1.072 381 I HN 0.133 nan 8.210 nan 0.000 0.417 382 R N 1.204 121.724 120.500 0.032 0.000 2.200 382 R HA -0.185 4.273 4.340 0.196 0.000 0.234 382 R C 1.247 177.546 176.300 -0.001 0.000 1.127 382 R CA 1.471 57.533 56.100 -0.063 0.000 0.989 382 R CB -0.048 30.201 30.300 -0.085 0.000 0.869 382 R HN 0.391 nan 8.270 nan 0.000 0.459 383 D N -0.544 119.885 120.400 0.049 0.000 2.338 383 D HA -0.039 4.719 4.640 0.196 0.000 0.224 383 D C 1.701 178.052 176.300 0.085 0.000 0.967 383 D CA 0.301 54.329 54.000 0.047 0.000 0.896 383 D CB -0.089 40.737 40.800 0.044 0.000 1.028 383 D HN 0.083 nan 8.370 nan 0.000 0.493 384 E N 0.057 120.360 120.200 0.172 0.000 2.118 384 E HA -0.151 4.316 4.350 0.196 0.000 0.195 384 E C 1.771 178.527 176.600 0.260 0.000 0.992 384 E CA 0.576 57.140 56.400 0.274 0.000 0.804 384 E CB -0.143 29.825 29.700 0.446 0.000 0.741 384 E HN 0.237 nan 8.360 nan 0.000 0.458 385 F N 1.378 121.274 119.950 -0.089 0.000 2.335 385 F HA -0.025 4.620 4.527 0.197 0.000 0.296 385 F C 2.487 178.178 175.800 -0.182 0.000 1.091 385 F CA 1.074 58.825 58.000 -0.415 0.000 1.399 385 F CB -0.143 38.464 39.000 -0.655 0.000 1.067 385 F HN -0.043 nan 8.300 nan 0.000 0.520 386 Q N 0.524 120.235 119.800 -0.149 0.000 2.084 386 Q HA -0.193 4.265 4.340 0.196 0.000 0.202 386 Q C 2.164 178.057 176.000 -0.179 0.000 0.978 386 Q CA 1.633 57.320 55.803 -0.193 0.000 0.844 386 Q CB -0.046 28.641 28.738 -0.085 0.000 0.898 386 Q HN 0.356 nan 8.270 nan 0.000 0.426 387 K N 0.547 120.887 120.400 -0.100 0.000 1.977 387 K HA -0.264 4.174 4.320 0.196 0.000 0.218 387 K C 2.076 178.598 176.600 -0.131 0.000 1.051 387 K CA 1.823 58.064 56.287 -0.077 0.000 0.953 387 K CB -0.367 32.124 32.500 -0.014 0.000 0.727 387 K HN 0.322 nan 8.250 nan 0.000 0.445 388 E N 1.004 121.129 120.200 -0.125 0.000 2.136 388 E HA -0.261 4.207 4.350 0.196 0.000 0.202 388 E C 2.008 178.438 176.600 -0.284 0.000 1.019 388 E CA 1.528 57.835 56.400 -0.155 0.000 0.819 388 E CB -0.140 29.509 29.700 -0.085 0.000 0.739 388 E HN 0.286 nan 8.360 nan 0.000 0.458 389 I N 0.562 120.879 120.570 -0.422 0.000 2.127 389 I HA -0.321 3.966 4.170 0.196 0.000 0.241 389 I C 2.467 178.397 176.117 -0.311 0.000 1.075 389 I CA 1.342 62.391 61.300 -0.418 0.000 1.334 389 I CB -0.244 37.514 38.000 -0.404 0.000 1.040 389 I HN 0.253 nan 8.210 nan 0.000 0.405 390 I N 0.660 121.095 120.570 -0.226 0.000 2.394 390 I HA -0.253 4.035 4.170 0.196 0.000 0.251 390 I C 1.762 177.756 176.117 -0.205 0.000 1.136 390 I CA 1.010 62.201 61.300 -0.183 0.000 1.425 390 I CB -0.516 37.418 38.000 -0.110 0.000 1.079 390 I HN 0.309 nan 8.210 nan 0.000 0.425 391 N N 0.236 118.823 118.700 -0.187 0.000 2.550 391 N HA -0.076 4.782 4.740 0.196 0.000 0.186 391 N C 1.597 176.963 175.510 -0.239 0.000 1.110 391 N CA 1.037 53.989 53.050 -0.163 0.000 0.912 391 N CB -0.136 38.285 38.487 -0.110 0.000 0.968 391 N HN 0.343 nan 8.380 nan 0.000 0.448 392 T N 0.745 115.081 114.554 -0.364 0.000 3.010 392 T HA 0.004 4.471 4.350 0.196 0.000 0.252 392 T C 1.991 176.180 174.700 -0.852 0.000 1.047 392 T CA 0.306 62.081 62.100 -0.542 0.000 1.140 392 T CB 0.402 68.907 68.868 -0.606 0.000 0.885 392 T HN 0.428 nan 8.240 nan 0.000 0.464 393 R N 1.825 121.809 120.500 -0.861 0.000 2.066 393 R HA -0.069 4.388 4.340 0.196 0.000 0.232 393 R C 1.594 177.617 176.300 -0.462 0.000 1.131 393 R CA 1.872 57.453 56.100 -0.865 0.000 0.955 393 R CB -0.643 29.434 30.300 -0.373 0.000 0.851 393 R HN 0.123 nan 8.270 nan 0.000 0.432 394 D N 0.622 120.848 120.400 -0.289 0.000 2.103 394 D HA -0.144 4.614 4.640 0.196 0.000 0.190 394 D C 1.957 178.186 176.300 -0.117 0.000 0.997 394 D CA 2.236 56.153 54.000 -0.138 0.000 0.833 394 D CB -0.727 40.030 40.800 -0.073 0.000 0.961 394 D HN 0.291 nan 8.370 nan 0.000 0.447 395 T N 0.436 114.894 114.554 -0.160 0.000 2.720 395 T HA -0.199 4.269 4.350 0.196 0.000 0.268 395 T C 1.932 176.566 174.700 -0.110 0.000 1.037 395 T CA 1.445 63.478 62.100 -0.112 0.000 1.144 395 T CB -0.165 68.625 68.868 -0.130 0.000 0.864 395 T HN 0.052 nan 8.240 nan 0.000 0.444 396 Q N 0.746 120.413 119.800 -0.222 0.000 2.020 396 Q HA 0.218 4.676 4.340 0.196 0.000 0.198 396 Q C 2.408 178.373 176.000 -0.058 0.000 0.974 396 Q CA 1.454 57.169 55.803 -0.147 0.000 0.829 396 Q CB -0.656 27.933 28.738 -0.248 0.000 0.894 396 Q HN 0.499 nan 8.270 nan 0.000 0.433 397 A N 0.155 122.883 122.820 -0.153 0.000 2.186 397 A HA -0.202 4.236 4.320 0.196 0.000 0.219 397 A C 1.924 179.529 177.584 0.035 0.000 1.159 397 A CA 1.567 53.456 52.037 -0.247 0.000 0.680 397 A CB -0.409 18.137 19.000 -0.757 0.000 0.787 397 A HN 0.283 nan 8.150 nan 0.000 0.467 398 R N -1.371 119.214 120.500 0.142 0.000 2.039 398 R HA -0.019 4.439 4.340 0.196 0.000 0.218 398 R C 2.113 178.524 176.300 0.185 0.000 1.220 398 R CA 1.374 57.626 56.100 0.253 0.000 0.993 398 R CB -0.614 29.790 30.300 0.174 0.000 0.881 398 R HN 0.337 nan 8.270 nan 0.000 0.450 399 T N 1.653 116.279 114.554 0.120 0.000 2.760 399 T HA -0.174 4.294 4.350 0.196 0.000 0.269 399 T C 1.747 176.554 174.700 0.179 0.000 1.047 399 T CA 1.668 63.841 62.100 0.122 0.000 1.139 399 T CB -0.173 68.741 68.868 0.076 0.000 0.855 399 T HN 0.227 nan 8.240 nan 0.000 0.471 400 I N 0.515 121.205 120.570 0.201 0.000 2.235 400 I HA -0.107 4.181 4.170 0.196 0.000 0.241 400 I C 2.689 179.045 176.117 0.399 0.000 1.085 400 I CA 0.767 62.254 61.300 0.312 0.000 1.378 400 I CB -0.366 37.789 38.000 0.259 0.000 1.076 400 I HN 0.143 nan 8.210 nan 0.000 0.415 401 S N 0.525 116.416 115.700 0.318 0.000 2.387 401 S HA -0.197 4.391 4.470 0.196 0.000 0.230 401 S C 1.862 176.621 174.600 0.265 0.000 1.035 401 S CA 1.323 59.702 58.200 0.297 0.000 1.014 401 S CB -0.290 63.100 63.200 0.317 0.000 0.836 401 S HN 0.411 nan 8.310 nan 0.000 0.466 402 E N 0.888 121.229 120.200 0.235 0.000 2.031 402 E HA -0.108 4.360 4.350 0.196 0.000 0.193 402 E C 2.369 179.088 176.600 0.198 0.000 0.994 402 E CA 0.999 57.512 56.400 0.188 0.000 0.800 402 E CB -0.693 29.102 29.700 0.158 0.000 0.752 402 E HN 0.454 nan 8.360 nan 0.000 0.447 403 S N 0.313 116.177 115.700 0.272 0.000 2.365 403 S HA -0.197 4.391 4.470 0.196 0.000 0.225 403 S C 1.831 176.573 174.600 0.238 0.000 1.039 403 S CA 1.286 59.694 58.200 0.346 0.000 1.033 403 S CB -0.354 63.171 63.200 0.542 0.000 0.887 403 S HN 0.275 nan 8.310 nan 0.000 0.447 404 F N 2.484 122.383 119.950 -0.085 0.000 2.060 404 F HA 0.043 4.687 4.527 0.196 0.000 0.295 404 F C 2.497 178.140 175.800 -0.261 0.000 1.120 404 F CA 2.025 59.619 58.000 -0.676 0.000 1.205 404 F CB -0.752 37.760 39.000 -0.813 0.000 0.986 404 F HN 0.120 nan 8.300 nan 0.000 0.470 405 R N -0.065 120.415 120.500 -0.033 0.000 2.112 405 R HA -0.237 4.221 4.340 0.196 0.000 0.242 405 R C 2.595 178.829 176.300 -0.110 0.000 1.137 405 R CA 2.001 58.061 56.100 -0.067 0.000 0.944 405 R CB -0.953 29.408 30.300 0.101 0.000 0.857 405 R HN 0.436 nan 8.270 nan 0.000 0.435 406 S N -0.673 115.015 115.700 -0.020 0.000 2.368 406 S HA -0.230 4.358 4.470 0.196 0.000 0.225 406 S C 1.841 176.421 174.600 -0.034 0.000 1.030 406 S CA 1.402 59.601 58.200 -0.002 0.000 0.999 406 S CB -0.486 62.754 63.200 0.067 0.000 0.844 406 S HN 0.587 nan 8.310 nan 0.000 0.459 407 Y N 1.837 122.010 120.300 -0.212 0.000 2.114 407 Y HA -0.111 4.557 4.550 0.197 0.000 0.284 407 Y C 2.272 177.982 175.900 -0.316 0.000 1.143 407 Y CA 1.989 59.945 58.100 -0.240 0.000 1.135 407 Y CB -0.574 37.686 38.460 -0.334 0.000 0.980 407 Y HN 0.135 nan 8.280 nan 0.000 0.499 408 V N 0.815 120.466 119.914 -0.438 0.000 2.252 408 V HA -0.380 3.858 4.120 0.196 0.000 0.249 408 V C 2.456 178.357 176.094 -0.322 0.000 1.056 408 V CA 2.197 64.211 62.300 -0.476 0.000 1.022 408 V CB -0.999 30.465 31.823 -0.599 0.000 0.641 408 V HN 0.469 nan 8.190 nan 0.000 0.445 409 L N 0.065 121.143 121.223 -0.241 0.000 1.971 409 L HA -0.287 4.171 4.340 0.196 0.000 0.215 409 L C 2.474 179.251 176.870 -0.155 0.000 1.072 409 L CA 2.524 57.267 54.840 -0.161 0.000 0.758 409 L CB -0.875 41.120 42.059 -0.107 0.000 0.889 409 L HN 0.479 nan 8.230 nan 0.000 0.433 410 N N 0.083 118.689 118.700 -0.157 0.000 2.348 410 N HA -0.196 4.662 4.740 0.196 0.000 0.185 410 N C 1.972 177.382 175.510 -0.168 0.000 1.019 410 N CA 0.453 53.423 53.050 -0.133 0.000 0.880 410 N CB 0.056 38.480 38.487 -0.106 0.000 0.965 410 N HN 0.313 nan 8.380 nan 0.000 0.437 411 L N 0.111 121.172 121.223 -0.270 0.000 2.191 411 L HA -0.092 4.366 4.340 0.196 0.000 0.212 411 L C 2.432 179.280 176.870 -0.037 0.000 1.103 411 L CA 1.084 55.797 54.840 -0.212 0.000 0.769 411 L CB -0.645 41.249 42.059 -0.274 0.000 0.908 411 L HN 0.320 nan 8.230 nan 0.000 0.438 412 G N -0.341 108.414 108.800 -0.075 0.000 2.443 412 G HA2 -0.256 3.822 3.960 0.196 0.000 0.219 412 G HA3 -0.256 3.822 3.960 0.196 0.000 0.219 412 G C 1.217 176.137 174.900 0.032 0.000 1.131 412 G CA 0.563 45.641 45.100 -0.036 0.000 0.775 412 G HN 0.376 nan 8.290 nan 0.000 0.547 413 N N 0.154 118.857 118.700 0.006 0.000 2.459 413 N HA -0.014 4.843 4.740 0.196 0.000 0.181 413 N C 1.987 177.530 175.510 0.054 0.000 1.046 413 N CA 1.509 54.572 53.050 0.022 0.000 0.904 413 N CB 0.072 38.559 38.487 -0.000 0.000 0.964 413 N HN 0.419 nan 8.380 nan 0.000 0.444 414 T N -3.267 111.334 114.554 0.080 0.000 3.010 414 T HA 0.138 4.605 4.350 0.196 0.000 0.257 414 T C 1.413 176.210 174.700 0.162 0.000 1.020 414 T CA -0.485 61.676 62.100 0.102 0.000 0.938 414 T CB -0.348 68.572 68.868 0.087 0.000 1.049 414 T HN 0.021 nan 8.240 nan 0.000 0.522 415 F N 3.210 123.183 119.950 0.038 0.000 2.063 415 F HA -0.229 4.415 4.527 0.195 0.000 0.298 415 F C 1.999 177.856 175.800 0.095 0.000 1.105 415 F CA 1.877 59.902 58.000 0.042 0.000 1.215 415 F CB -0.502 38.460 39.000 -0.062 0.000 0.972 415 F HN 0.194 nan 8.300 nan 0.000 0.483 416 E N -0.228 119.929 120.200 -0.071 0.000 2.035 416 E HA -0.344 4.124 4.350 0.196 0.000 0.204 416 E C 2.231 178.796 176.600 -0.059 0.000 1.025 416 E CA 1.515 57.846 56.400 -0.115 0.000 0.835 416 E CB -0.672 29.034 29.700 0.009 0.000 0.764 416 E HN 0.465 nan 8.360 nan 0.000 0.457 417 N N 0.985 119.690 118.700 0.008 0.000 2.104 417 N HA -0.198 4.660 4.740 0.196 0.000 0.190 417 N C 1.337 176.888 175.510 0.068 0.000 1.024 417 N CA 1.601 54.673 53.050 0.037 0.000 0.853 417 N CB -0.129 38.392 38.487 0.056 0.000 1.008 417 N HN 0.118 nan 8.380 nan 0.000 0.424 418 D N 0.052 120.518 120.400 0.110 0.000 2.117 418 D HA -0.139 4.619 4.640 0.196 0.000 0.197 418 D C 1.618 178.034 176.300 0.192 0.000 0.987 418 D CA 0.500 54.658 54.000 0.264 0.000 0.829 418 D CB -0.679 40.347 40.800 0.378 0.000 0.961 418 D HN 0.256 nan 8.370 nan 0.000 0.460 419 F N 1.303 121.049 119.950 -0.340 0.000 2.287 419 F HA -0.176 4.469 4.527 0.197 0.000 0.301 419 F C 1.936 177.635 175.800 -0.168 0.000 1.069 419 F CA 0.697 58.429 58.000 -0.446 0.000 1.372 419 F CB -0.136 38.331 39.000 -0.887 0.000 1.056 419 F HN -0.062 nan 8.300 nan 0.000 0.523 420 L N 0.134 121.293 121.223 -0.106 0.000 2.130 420 L HA 0.052 4.509 4.340 0.196 0.000 0.200 420 L C 2.434 179.249 176.870 -0.092 0.000 1.075 420 L CA 1.308 56.063 54.840 -0.143 0.000 0.768 420 L CB -0.878 41.142 42.059 -0.065 0.000 0.933 420 L HN -0.095 nan 8.230 nan 0.000 0.451 421 R N -0.826 119.674 120.500 0.000 0.000 2.122 421 R HA -0.185 4.273 4.340 0.196 0.000 0.236 421 R C 0.254 176.487 176.300 -0.111 0.000 1.129 421 R CA 1.776 57.847 56.100 -0.049 0.000 0.925 421 R CB -1.039 29.251 30.300 -0.017 0.000 0.850 421 R HN 0.287 nan 8.270 nan 0.000 0.431 422 Y N 0.849 121.128 120.300 -0.035 0.000 2.336 422 Y HA 0.077 4.745 4.550 0.197 0.000 0.331 422 Y C 0.724 176.503 175.900 -0.201 0.000 1.211 422 Y CA -0.221 57.849 58.100 -0.050 0.000 1.346 422 Y CB 0.738 39.234 38.460 0.060 0.000 1.271 422 Y HN -0.000 nan 8.280 nan 0.000 0.538 423 Q N 3.462 123.212 119.800 -0.084 0.000 2.965 423 Q HA 0.267 4.725 4.340 0.196 0.000 0.288 423 Q C -2.596 173.255 176.000 -0.250 0.000 0.974 423 Q CA -1.987 53.671 55.803 -0.242 0.000 0.849 423 Q CB 0.973 29.593 28.738 -0.197 0.000 1.280 423 Q HN 0.454 nan 8.270 nan 0.000 0.441 424 P HA -0.143 nan 4.420 nan 0.000 0.257 424 P C -0.437 176.685 177.300 -0.297 0.000 1.153 424 P CA 0.825 63.659 63.100 -0.442 0.000 0.762 424 P CB 0.542 31.707 31.700 -0.891 0.000 0.743 425 E N 2.943 123.020 120.200 -0.205 0.000 2.133 425 E HA 0.280 4.748 4.350 0.196 0.000 0.274 425 E C -0.514 176.010 176.600 -0.127 0.000 0.930 425 E CA -0.746 55.570 56.400 -0.140 0.000 0.770 425 E CB 1.623 31.271 29.700 -0.087 0.000 1.104 425 E HN 0.375 nan 8.360 nan 0.000 0.403 426 L N 4.168 125.311 121.223 -0.134 0.000 2.275 426 L HA 0.276 4.734 4.340 0.196 0.000 0.288 426 L C -0.041 176.769 176.870 -0.100 0.000 1.046 426 L CA -0.318 54.434 54.840 -0.147 0.000 0.805 426 L CB 1.098 43.002 42.059 -0.259 0.000 1.193 426 L HN 0.399 nan 8.230 nan 0.000 0.426 427 N N 4.930 123.606 118.700 -0.039 0.000 2.434 427 N HA -0.038 4.820 4.740 0.196 0.000 0.273 427 N C 1.061 176.610 175.510 0.065 0.000 1.210 427 N CA -0.315 52.754 53.050 0.032 0.000 0.992 427 N CB 0.564 39.094 38.487 0.072 0.000 1.355 427 N HN 0.613 nan 8.380 nan 0.000 0.495 428 L N 3.510 124.764 121.223 0.052 0.000 2.137 428 L HA -0.207 4.251 4.340 0.196 0.000 0.213 428 L C 1.794 178.803 176.870 0.232 0.000 1.085 428 L CA 1.407 56.308 54.840 0.103 0.000 0.760 428 L CB -1.106 40.999 42.059 0.076 0.000 0.893 428 L HN 0.520 nan 8.230 nan 0.000 0.434 429 F N 0.677 120.666 119.950 0.065 0.000 2.113 429 F HA -0.168 4.477 4.527 0.196 0.000 0.297 429 F C 2.269 178.127 175.800 0.097 0.000 1.103 429 F CA 1.550 59.593 58.000 0.071 0.000 1.248 429 F CB -0.511 38.514 39.000 0.042 0.000 0.999 429 F HN 0.156 nan 8.300 nan 0.000 0.475 430 D N 0.214 120.585 120.400 -0.048 0.000 2.123 430 D HA -0.243 4.515 4.640 0.196 0.000 0.196 430 D C 2.284 178.569 176.300 -0.024 0.000 0.992 430 D CA 1.552 55.463 54.000 -0.149 0.000 0.833 430 D CB -0.954 39.845 40.800 -0.002 0.000 0.954 430 D HN 0.372 nan 8.370 nan 0.000 0.455 431 F N 0.553 120.439 119.950 -0.105 0.000 2.000 431 F HA -0.281 4.360 4.527 0.191 0.000 0.296 431 F C 1.930 177.726 175.800 -0.007 0.000 1.159 431 F CA 0.977 58.916 58.000 -0.103 0.000 1.183 431 F CB -0.034 38.905 39.000 -0.102 0.000 0.959 431 F HN -0.095 nan 8.300 nan 0.000 0.490 432 L N -0.027 121.290 121.223 0.155 0.000 1.913 432 L HA -0.177 4.281 4.340 0.196 0.000 0.217 432 L C 2.329 179.184 176.870 -0.024 0.000 1.086 432 L CA 1.811 56.689 54.840 0.063 0.000 0.772 432 L CB -1.852 40.291 42.059 0.141 0.000 0.887 432 L HN 0.486 nan 8.230 nan 0.000 0.432 433 S N -1.341 114.320 115.700 -0.065 0.000 3.905 433 S HA -0.368 4.220 4.470 0.196 0.000 0.537 433 S C 1.601 176.145 174.600 -0.094 0.000 0.934 433 S CA 2.183 60.271 58.200 -0.187 0.000 3.401 433 S CB -1.359 61.483 63.200 -0.596 0.000 2.340 433 S HN 0.534 nan 8.310 nan 0.000 0.480 434 S N 0.002 115.632 115.700 -0.117 0.000 2.071 434 S HA 0.543 5.131 4.470 0.196 0.000 0.187 434 S C 1.522 176.094 174.600 -0.047 0.000 1.376 434 S CA 0.297 58.459 58.200 -0.064 0.000 1.398 434 S CB -0.183 62.981 63.200 -0.061 0.000 0.641 434 S HN 1.422 nan 8.310 nan 0.000 0.392 435 G N -0.722 108.052 108.800 -0.044 0.000 4.275 435 G HA2 0.080 4.157 3.960 0.196 0.000 0.153 435 G HA3 0.080 4.157 3.960 0.196 0.000 0.153 435 G C -0.502 174.354 174.900 -0.073 0.000 0.977 435 G CA -0.443 44.620 45.100 -0.061 0.000 0.809 435 G HN 0.243 nan 8.290 nan 0.000 0.528 436 K N 1.069 121.442 120.400 -0.046 0.000 2.561 436 K HA 0.023 4.461 4.320 0.196 0.000 0.280 436 K C 0.704 177.277 176.600 -0.045 0.000 0.975 436 K CA -0.241 56.021 56.287 -0.042 0.000 1.024 436 K CB 0.919 33.407 32.500 -0.019 0.000 0.883 436 K HN 0.297 nan 8.250 nan 0.000 0.496 437 R N 2.400 122.859 120.500 -0.069 0.000 3.441 437 R HA -0.102 4.355 4.340 0.196 0.000 0.225 437 R C 1.042 177.350 176.300 0.014 0.000 1.756 437 R CA 0.556 56.608 56.100 -0.079 0.000 1.504 437 R CB 0.099 30.338 30.300 -0.102 0.000 1.183 437 R HN 0.597 nan 8.270 nan 0.000 0.567 438 E N -1.332 118.894 120.200 0.045 0.000 2.879 438 E HA 0.031 4.498 4.350 0.196 0.000 0.206 438 E C 0.919 177.569 176.600 0.084 0.000 0.969 438 E CA 0.625 57.064 56.400 0.064 0.000 1.496 438 E CB -0.473 29.246 29.700 0.031 0.000 1.454 438 E HN 0.216 nan 8.360 nan 0.000 0.750 439 A N 0.462 123.318 122.820 0.061 0.000 2.216 439 A HA 0.011 4.449 4.320 0.196 0.000 0.214 439 A C 1.665 179.297 177.584 0.079 0.000 1.160 439 A CA 0.962 53.025 52.037 0.042 0.000 0.725 439 A CB -0.705 18.293 19.000 -0.004 0.000 0.784 439 A HN 0.376 nan 8.150 nan 0.000 0.472 440 F N -0.224 119.677 119.950 -0.081 0.000 2.500 440 F HA 0.191 4.834 4.527 0.194 0.000 0.285 440 F C 1.657 177.466 175.800 0.014 0.000 1.088 440 F CA 1.013 58.929 58.000 -0.141 0.000 1.432 440 F CB -0.187 38.648 39.000 -0.275 0.000 1.131 440 F HN 0.215 nan 8.300 nan 0.000 0.582 441 N N 0.197 119.084 118.700 0.312 0.000 2.250 441 N HA -0.024 4.834 4.740 0.196 0.000 0.181 441 N C 1.983 177.567 175.510 0.123 0.000 1.017 441 N CA 0.758 53.939 53.050 0.218 0.000 0.866 441 N CB -0.128 38.478 38.487 0.198 0.000 0.985 441 N HN 0.335 nan 8.380 nan 0.000 0.429 442 A N 1.455 124.339 122.820 0.106 0.000 1.877 442 A HA -0.076 4.362 4.320 0.196 0.000 0.216 442 A C 2.338 179.978 177.584 0.094 0.000 1.186 442 A CA 1.724 53.814 52.037 0.089 0.000 0.620 442 A CB -0.932 18.111 19.000 0.071 0.000 0.822 442 A HN 0.332 nan 8.150 nan 0.000 0.443 443 A N -0.310 122.564 122.820 0.089 0.000 1.892 443 A HA -0.157 4.281 4.320 0.196 0.000 0.218 443 A C 2.171 179.815 177.584 0.100 0.000 1.188 443 A CA 1.816 53.912 52.037 0.099 0.000 0.631 443 A CB -0.677 18.424 19.000 0.169 0.000 0.822 443 A HN 0.492 nan 8.150 nan 0.000 0.447 444 L N -1.585 119.706 121.223 0.114 0.000 2.156 444 L HA -0.147 4.310 4.340 0.196 0.000 0.208 444 L C 2.756 179.783 176.870 0.261 0.000 1.095 444 L CA 1.356 56.294 54.840 0.165 0.000 0.770 444 L CB -0.314 41.826 42.059 0.135 0.000 0.914 444 L HN 0.438 nan 8.230 nan 0.000 0.439 445 Q N 0.053 119.962 119.800 0.181 0.000 2.079 445 Q HA -0.193 4.265 4.340 0.196 0.000 0.200 445 Q C 2.249 178.376 176.000 0.212 0.000 0.974 445 Q CA 1.458 57.374 55.803 0.188 0.000 0.840 445 Q CB 0.042 28.854 28.738 0.124 0.000 0.898 445 Q HN 0.058 nan 8.270 nan 0.000 0.430 446 K N 0.011 120.505 120.400 0.156 0.000 1.985 446 K HA -0.079 4.358 4.320 0.196 0.000 0.210 446 K C 1.907 178.577 176.600 0.116 0.000 1.047 446 K CA 1.422 57.786 56.287 0.128 0.000 0.932 446 K CB -0.789 31.766 32.500 0.092 0.000 0.716 446 K HN 0.269 nan 8.250 nan 0.000 0.439 447 A N -0.015 122.850 122.820 0.075 0.000 2.054 447 A HA -0.184 4.254 4.320 0.196 0.000 0.223 447 A C 1.661 179.131 177.584 -0.191 0.000 1.169 447 A CA 1.632 53.629 52.037 -0.066 0.000 0.655 447 A CB -0.666 18.263 19.000 -0.117 0.000 0.812 447 A HN 0.328 nan 8.150 nan 0.000 0.462 448 F N -0.894 119.115 119.950 0.099 0.000 2.647 448 F HA 0.218 4.862 4.527 0.194 0.000 0.300 448 F C 1.620 177.531 175.800 0.185 0.000 1.106 448 F CA 0.097 58.181 58.000 0.139 0.000 1.313 448 F CB 0.066 39.135 39.000 0.116 0.000 1.007 448 F HN 0.387 nan 8.300 nan 0.000 0.536 449 E N 0.373 120.723 120.200 0.251 0.000 2.033 449 E HA -0.295 4.173 4.350 0.196 0.000 0.199 449 E C 1.845 178.587 176.600 0.237 0.000 1.011 449 E CA 1.830 58.364 56.400 0.223 0.000 0.815 449 E CB 0.181 29.985 29.700 0.172 0.000 0.755 449 E HN 0.276 nan 8.360 nan 0.000 0.451 450 Q N -0.405 119.544 119.800 0.249 0.000 2.061 450 Q HA -0.199 4.259 4.340 0.196 0.000 0.204 450 Q C 1.871 178.074 176.000 0.339 0.000 0.984 450 Q CA 1.960 57.945 55.803 0.302 0.000 0.846 450 Q CB -0.727 28.218 28.738 0.344 0.000 0.902 450 Q HN 0.510 nan 8.270 nan 0.000 0.421 451 Y N 0.383 120.749 120.300 0.110 0.000 2.097 451 Y HA -0.236 4.433 4.550 0.198 0.000 0.282 451 Y C 1.803 177.689 175.900 -0.024 0.000 1.152 451 Y CA 1.635 59.556 58.100 -0.297 0.000 1.136 451 Y CB -0.228 38.039 38.460 -0.323 0.000 0.975 451 Y HN 0.076 nan 8.280 nan 0.000 0.498 452 I N -0.538 120.149 120.570 0.194 0.000 2.127 452 I HA -0.376 3.912 4.170 0.196 0.000 0.241 452 I C 2.332 178.475 176.117 0.043 0.000 1.075 452 I CA 1.907 63.270 61.300 0.105 0.000 1.334 452 I CB -0.908 37.213 38.000 0.202 0.000 1.040 452 I HN 0.259 nan 8.210 nan 0.000 0.405 453 T N 0.479 115.090 114.554 0.095 0.000 2.580 453 T HA -0.226 4.242 4.350 0.196 0.000 0.265 453 T C 1.483 176.188 174.700 0.008 0.000 1.063 453 T CA 2.030 64.171 62.100 0.069 0.000 1.170 453 T CB -0.424 68.505 68.868 0.102 0.000 0.863 453 T HN 0.317 nan 8.240 nan 0.000 0.418 454 D N 1.018 121.438 120.400 0.032 0.000 2.156 454 D HA -0.110 4.648 4.640 0.196 0.000 0.190 454 D C 2.322 178.634 176.300 0.020 0.000 0.998 454 D CA 1.109 55.133 54.000 0.041 0.000 0.842 454 D CB -0.267 40.641 40.800 0.180 0.000 0.974 454 D HN 0.198 nan 8.370 nan 0.000 0.447 455 K N 0.534 120.893 120.400 -0.068 0.000 2.074 455 K HA -0.123 4.315 4.320 0.196 0.000 0.209 455 K C 2.268 178.976 176.600 0.181 0.000 1.048 455 K CA 0.834 57.136 56.287 0.025 0.000 0.926 455 K CB -0.887 31.456 32.500 -0.261 0.000 0.713 455 K HN 0.081 nan 8.250 nan 0.000 0.444 456 S N 0.657 116.426 115.700 0.114 0.000 2.353 456 S HA -0.148 4.440 4.470 0.196 0.000 0.222 456 S C 2.092 176.785 174.600 0.155 0.000 1.035 456 S CA 1.568 59.879 58.200 0.185 0.000 1.025 456 S CB -0.248 63.041 63.200 0.147 0.000 0.902 456 S HN 0.378 nan 8.310 nan 0.000 0.440 457 A N 1.342 124.193 122.820 0.052 0.000 1.940 457 A HA 0.124 4.561 4.320 0.196 0.000 0.219 457 A C 2.440 180.021 177.584 -0.004 0.000 1.176 457 A CA 2.013 54.039 52.037 -0.018 0.000 0.631 457 A CB -1.355 17.552 19.000 -0.156 0.000 0.814 457 A HN 0.776 nan 8.150 nan 0.000 0.446 458 A N -1.418 121.423 122.820 0.035 0.000 1.877 458 A HA -0.159 4.279 4.320 0.196 0.000 0.216 458 A C 1.992 179.560 177.584 -0.027 0.000 1.186 458 A CA 1.636 53.692 52.037 0.033 0.000 0.620 458 A CB -0.945 18.123 19.000 0.114 0.000 0.822 458 A HN 0.863 nan 8.150 nan 0.000 0.443 459 W N 1.748 122.897 121.300 -0.252 0.000 2.355 459 W HA -0.228 4.551 4.660 0.198 0.000 0.309 459 W C 2.609 179.032 176.519 -0.160 0.000 1.206 459 W CA 3.169 60.279 57.345 -0.392 0.000 1.284 459 W CB -0.770 28.283 29.460 -0.680 0.000 1.145 459 W HN 0.426 nan 8.180 nan 0.000 0.502 460 T N -0.761 113.632 114.554 -0.268 0.000 2.897 460 T HA -0.281 4.187 4.350 0.196 0.000 0.271 460 T C 2.005 176.486 174.700 -0.365 0.000 1.084 460 T CA 1.560 63.402 62.100 -0.430 0.000 1.123 460 T CB -0.741 68.069 68.868 -0.097 0.000 0.865 460 T HN 0.352 nan 8.240 nan 0.000 0.496 461 L N 0.361 121.435 121.223 -0.249 0.000 2.027 461 L HA -0.092 4.366 4.340 0.196 0.000 0.206 461 L C 2.988 179.720 176.870 -0.231 0.000 1.074 461 L CA 1.782 56.518 54.840 -0.174 0.000 0.745 461 L CB -0.913 41.088 42.059 -0.097 0.000 0.898 461 L HN 0.325 nan 8.230 nan 0.000 0.433 462 T N -0.412 113.957 114.554 -0.307 0.000 2.720 462 T HA -0.179 4.289 4.350 0.196 0.000 0.268 462 T C 1.804 176.278 174.700 -0.376 0.000 1.037 462 T CA 1.377 63.300 62.100 -0.295 0.000 1.144 462 T CB -0.080 68.620 68.868 -0.281 0.000 0.864 462 T HN 0.533 nan 8.240 nan 0.000 0.444 463 A N 1.290 123.701 122.820 -0.682 0.000 1.865 463 A HA -0.160 4.278 4.320 0.196 0.000 0.217 463 A C 2.119 179.519 177.584 -0.307 0.000 1.191 463 A CA 2.031 53.702 52.037 -0.611 0.000 0.623 463 A CB -0.724 17.655 19.000 -1.036 0.000 0.826 463 A HN 0.629 nan 8.150 nan 0.000 0.444 464 E N -0.490 119.542 120.200 -0.280 0.000 2.070 464 E HA -0.254 4.213 4.350 0.196 0.000 0.197 464 E C 2.096 178.631 176.600 -0.109 0.000 1.004 464 E CA 1.446 57.748 56.400 -0.163 0.000 0.805 464 E CB -0.212 29.404 29.700 -0.140 0.000 0.744 464 E HN 0.644 nan 8.360 nan 0.000 0.451 465 K N 0.718 121.052 120.400 -0.110 0.000 2.218 465 K HA -0.248 4.190 4.320 0.196 0.000 0.205 465 K C 1.016 177.595 176.600 -0.036 0.000 1.046 465 K CA 1.839 58.087 56.287 -0.063 0.000 0.933 465 K CB 0.091 32.554 32.500 -0.062 0.000 0.728 465 K HN 0.042 nan 8.250 nan 0.000 0.454 466 D N 0.310 120.683 120.400 -0.045 0.000 2.202 466 D HA 0.004 4.762 4.640 0.196 0.000 0.214 466 D C 1.931 178.256 176.300 0.042 0.000 0.967 466 D CA 0.804 54.802 54.000 -0.004 0.000 0.871 466 D CB -0.121 40.673 40.800 -0.009 0.000 1.020 466 D HN 0.186 nan 8.370 nan 0.000 0.474 467 I N 1.295 121.893 120.570 0.048 0.000 2.248 467 I HA -0.299 3.989 4.170 0.196 0.000 0.248 467 I C 1.989 178.212 176.117 0.176 0.000 1.107 467 I CA 0.771 62.157 61.300 0.143 0.000 1.373 467 I CB -0.345 37.692 38.000 0.061 0.000 1.055 467 I HN 0.007 nan 8.210 nan 0.000 0.418 468 N N 1.443 120.180 118.700 0.061 0.000 1.997 468 N HA -0.207 4.651 4.740 0.196 0.000 0.198 468 N C 1.991 177.563 175.510 0.104 0.000 1.063 468 N CA 2.034 55.110 53.050 0.043 0.000 0.860 468 N CB -0.665 37.821 38.487 -0.002 0.000 1.063 468 N HN 0.363 nan 8.380 nan 0.000 0.424 469 A N 1.087 123.950 122.820 0.072 0.000 1.940 469 A HA -0.226 4.212 4.320 0.196 0.000 0.221 469 A C 2.387 180.023 177.584 0.086 0.000 1.190 469 A CA 2.878 54.959 52.037 0.073 0.000 0.647 469 A CB -1.200 17.827 19.000 0.045 0.000 0.821 469 A HN 0.458 nan 8.150 nan 0.000 0.457 470 A N -1.188 121.683 122.820 0.086 0.000 1.859 470 A HA -0.122 4.315 4.320 0.196 0.000 0.217 470 A C 2.008 179.601 177.584 0.014 0.000 1.198 470 A CA 1.812 53.869 52.037 0.033 0.000 0.629 470 A CB -0.960 18.103 19.000 0.104 0.000 0.830 470 A HN 0.542 nan 8.150 nan 0.000 0.446 471 F N -0.180 119.798 119.950 0.047 0.000 2.293 471 F HA -0.091 4.553 4.527 0.196 0.000 0.300 471 F C 2.296 178.176 175.800 0.134 0.000 1.086 471 F CA 1.741 59.730 58.000 -0.018 0.000 1.375 471 F CB -0.047 38.764 39.000 -0.315 0.000 1.045 471 F HN 0.190 nan 8.300 nan 0.000 0.516 472 K N 0.184 120.750 120.400 0.276 0.000 2.148 472 K HA -0.171 4.267 4.320 0.196 0.000 0.204 472 K C 2.027 178.750 176.600 0.206 0.000 1.050 472 K CA 1.177 57.615 56.287 0.251 0.000 0.942 472 K CB 0.052 32.648 32.500 0.161 0.000 0.724 472 K HN 0.100 nan 8.250 nan 0.000 0.446 473 E N 0.910 121.201 120.200 0.152 0.000 2.028 473 E HA -0.134 4.334 4.350 0.196 0.000 0.190 473 E C 2.110 178.813 176.600 0.170 0.000 0.984 473 E CA 0.761 57.237 56.400 0.126 0.000 0.800 473 E CB -0.277 29.466 29.700 0.071 0.000 0.758 473 E HN 0.297 nan 8.360 nan 0.000 0.448 474 L N 0.985 122.298 121.223 0.151 0.000 2.089 474 L HA -0.271 4.187 4.340 0.196 0.000 0.213 474 L C 2.689 179.801 176.870 0.403 0.000 1.079 474 L CA 1.348 56.326 54.840 0.230 0.000 0.758 474 L CB -0.489 41.584 42.059 0.024 0.000 0.891 474 L HN 0.120 nan 8.230 nan 0.000 0.433 475 S N -0.105 115.817 115.700 0.369 0.000 2.344 475 S HA -0.272 4.316 4.470 0.196 0.000 0.217 475 S C 2.147 176.861 174.600 0.191 0.000 1.033 475 S CA 1.690 60.070 58.200 0.300 0.000 1.017 475 S CB -0.190 63.167 63.200 0.262 0.000 0.941 475 S HN 0.365 nan 8.310 nan 0.000 0.430 476 R N 0.447 121.048 120.500 0.168 0.000 2.133 476 R HA -0.091 4.367 4.340 0.196 0.000 0.247 476 R C 2.542 178.937 176.300 0.158 0.000 1.151 476 R CA 1.956 58.132 56.100 0.127 0.000 0.971 476 R CB -0.829 29.541 30.300 0.115 0.000 0.866 476 R HN 0.447 nan 8.270 nan 0.000 0.447 477 S N -0.589 115.250 115.700 0.231 0.000 2.348 477 S HA -0.118 4.469 4.470 0.196 0.000 0.221 477 S C 1.944 176.703 174.600 0.265 0.000 1.033 477 S CA 1.219 59.616 58.200 0.328 0.000 1.010 477 S CB -0.358 63.099 63.200 0.428 0.000 0.891 477 S HN 0.582 nan 8.310 nan 0.000 0.442 478 A N 0.515 123.384 122.820 0.081 0.000 1.940 478 A HA -0.099 4.339 4.320 0.196 0.000 0.219 478 A C 2.351 179.887 177.584 -0.080 0.000 1.176 478 A CA 2.245 54.128 52.037 -0.257 0.000 0.631 478 A CB -1.401 17.516 19.000 -0.139 0.000 0.814 478 A HN 0.587 nan 8.150 nan 0.000 0.446 479 S N 0.055 115.744 115.700 -0.018 0.000 2.359 479 S HA -0.335 4.253 4.470 0.196 0.000 0.223 479 S C 2.316 176.911 174.600 -0.008 0.000 1.039 479 S CA 2.171 60.340 58.200 -0.051 0.000 1.042 479 S CB -0.528 62.662 63.200 -0.017 0.000 0.915 479 S HN 0.836 nan 8.310 nan 0.000 0.439 480 Q N -1.064 118.781 119.800 0.075 0.000 2.050 480 Q HA -0.165 4.293 4.340 0.196 0.000 0.202 480 Q C 1.907 177.969 176.000 0.103 0.000 0.980 480 Q CA 1.900 57.745 55.803 0.069 0.000 0.840 480 Q CB -0.856 27.920 28.738 0.063 0.000 0.898 480 Q HN 0.648 nan 8.270 nan 0.000 0.424 481 Y N 1.526 121.842 120.300 0.028 0.000 2.256 481 Y HA -0.080 4.588 4.550 0.196 0.000 0.288 481 Y C 2.644 178.668 175.900 0.206 0.000 1.155 481 Y CA 1.387 59.558 58.100 0.118 0.000 1.203 481 Y CB -0.712 37.800 38.460 0.085 0.000 0.980 481 Y HN 0.366 nan 8.280 nan 0.000 0.530 482 G N -0.673 108.232 108.800 0.176 0.000 2.402 482 G HA2 -0.213 3.865 3.960 0.196 0.000 0.216 482 G HA3 -0.213 3.865 3.960 0.196 0.000 0.216 482 G C 1.958 176.870 174.900 0.020 0.000 1.162 482 G CA 0.923 45.956 45.100 -0.112 0.000 0.777 482 G HN 0.466 nan 8.290 nan 0.000 0.539 483 A N 1.374 124.198 122.820 0.008 0.000 1.883 483 A HA -0.106 4.332 4.320 0.196 0.000 0.217 483 A C 2.779 180.396 177.584 0.054 0.000 1.186 483 A CA 2.964 55.007 52.037 0.011 0.000 0.624 483 A CB -0.856 18.141 19.000 -0.004 0.000 0.822 483 A HN 0.777 nan 8.150 nan 0.000 0.444 484 S N -1.957 113.791 115.700 0.079 0.000 2.371 484 S HA -0.210 4.378 4.470 0.196 0.000 0.224 484 S C 1.944 176.618 174.600 0.123 0.000 1.029 484 S CA 1.308 59.549 58.200 0.068 0.000 0.978 484 S CB -0.952 62.266 63.200 0.029 0.000 0.833 484 S HN 0.591 nan 8.310 nan 0.000 0.466 485 Y N 3.048 123.410 120.300 0.103 0.000 2.139 485 Y HA -0.261 4.407 4.550 0.196 0.000 0.282 485 Y C 2.134 178.074 175.900 0.067 0.000 1.179 485 Y CA 2.074 60.261 58.100 0.145 0.000 1.161 485 Y CB -0.796 37.879 38.460 0.359 0.000 0.970 485 Y HN 0.398 nan 8.280 nan 0.000 0.511 486 N N -0.637 118.206 118.700 0.239 0.000 2.058 486 N HA -0.249 4.609 4.740 0.196 0.000 0.191 486 N C 1.800 177.330 175.510 0.033 0.000 1.037 486 N CA 1.416 54.537 53.050 0.119 0.000 0.848 486 N CB -0.225 38.298 38.487 0.060 0.000 1.021 486 N HN 0.525 nan 8.380 nan 0.000 0.422 487 Q N 0.582 120.394 119.800 0.021 0.000 2.014 487 Q HA -0.178 4.280 4.340 0.196 0.000 0.207 487 Q C 2.141 178.123 176.000 -0.030 0.000 0.993 487 Q CA 1.262 57.063 55.803 -0.003 0.000 0.850 487 Q CB -0.134 28.602 28.738 -0.002 0.000 0.916 487 Q HN 0.398 nan 8.270 nan 0.000 0.417 488 I N 0.377 120.909 120.570 -0.063 0.000 2.315 488 I HA -0.276 4.012 4.170 0.196 0.000 0.251 488 I C 2.249 178.285 176.117 -0.135 0.000 1.125 488 I CA 1.563 62.796 61.300 -0.111 0.000 1.392 488 I CB -1.526 36.359 38.000 -0.191 0.000 1.065 488 I HN 0.280 nan 8.210 nan 0.000 0.424 489 T N 0.474 114.939 114.554 -0.147 0.000 2.812 489 T HA -0.129 4.339 4.350 0.196 0.000 0.264 489 T C 1.544 176.226 174.700 -0.030 0.000 1.042 489 T CA 1.293 63.325 62.100 -0.112 0.000 1.140 489 T CB -0.066 68.773 68.868 -0.049 0.000 0.870 489 T HN 0.273 nan 8.240 nan 0.000 0.445 490 D N 1.122 121.516 120.400 -0.010 0.000 2.116 490 D HA -0.113 4.645 4.640 0.196 0.000 0.193 490 D C 2.329 178.635 176.300 0.010 0.000 0.998 490 D CA 1.236 55.240 54.000 0.006 0.000 0.836 490 D CB -0.270 40.533 40.800 0.006 0.000 0.951 490 D HN 0.509 nan 8.370 nan 0.000 0.449 491 Q N 0.099 119.901 119.800 0.003 0.000 2.030 491 Q HA -0.122 4.336 4.340 0.196 0.000 0.204 491 Q C 2.569 178.588 176.000 0.033 0.000 0.986 491 Q CA 0.862 56.673 55.803 0.014 0.000 0.843 491 Q CB -0.168 28.574 28.738 0.007 0.000 0.904 491 Q HN 0.364 nan 8.270 nan 0.000 0.420 492 I N 0.419 121.013 120.570 0.041 0.000 2.300 492 I HA -0.334 3.954 4.170 0.196 0.000 0.252 492 I C 2.118 178.289 176.117 0.090 0.000 1.119 492 I CA 1.179 62.538 61.300 0.099 0.000 1.384 492 I CB -0.453 37.627 38.000 0.133 0.000 1.062 492 I HN 0.273 nan 8.210 nan 0.000 0.426 493 T N -0.332 114.258 114.554 0.061 0.000 2.770 493 T HA -0.180 4.288 4.350 0.196 0.000 0.258 493 T C 1.801 176.527 174.700 0.043 0.000 1.039 493 T CA 1.396 63.529 62.100 0.055 0.000 1.143 493 T CB -0.122 68.772 68.868 0.044 0.000 0.866 493 T HN 0.431 nan 8.240 nan 0.000 0.428 494 E N 1.279 121.499 120.200 0.034 0.000 2.023 494 E HA -0.184 4.284 4.350 0.196 0.000 0.196 494 E C 1.909 178.526 176.600 0.029 0.000 1.003 494 E CA 1.280 57.696 56.400 0.028 0.000 0.809 494 E CB -0.031 29.682 29.700 0.021 0.000 0.755 494 E HN 0.343 nan 8.360 nan 0.000 0.449 495 K N -0.079 120.341 120.400 0.032 0.000 2.442 495 K HA -0.099 4.339 4.320 0.196 0.000 0.198 495 K C 1.959 178.577 176.600 0.030 0.000 1.044 495 K CA 0.594 56.899 56.287 0.029 0.000 0.948 495 K CB 0.084 32.604 32.500 0.033 0.000 0.762 495 K HN 0.282 nan 8.250 nan 0.000 0.472 496 L N -1.126 120.119 121.223 0.038 0.000 2.349 496 L HA -0.041 4.416 4.340 0.196 0.000 0.200 496 L C 2.377 179.266 176.870 0.031 0.000 1.064 496 L CA 0.802 55.664 54.840 0.036 0.000 0.821 496 L CB 0.038 42.129 42.059 0.053 0.000 1.027 496 L HN 0.045 nan 8.230 nan 0.000 0.476 497 T N -1.701 112.873 114.554 0.033 0.000 3.009 497 T HA 0.117 4.585 4.350 0.196 0.000 0.258 497 T C 1.323 176.039 174.700 0.026 0.000 1.063 497 T CA 1.200 63.318 62.100 0.030 0.000 1.139 497 T CB 0.197 69.085 68.868 0.032 0.000 0.890 497 T HN 0.611 nan 8.240 nan 0.000 0.471 498 G N 1.577 110.391 108.800 0.023 0.000 2.420 498 G HA2 -0.230 3.847 3.960 0.196 0.000 0.221 498 G HA3 -0.230 3.847 3.960 0.196 0.000 0.221 498 G C 0.188 175.099 174.900 0.019 0.000 1.117 498 G CA 0.230 45.341 45.100 0.019 0.000 0.657 498 G HN 0.746 nan 8.290 nan 0.000 0.512 499 K N 2.084 122.496 120.400 0.021 0.000 2.262 499 K HA 0.476 4.914 4.320 0.196 0.000 0.282 499 K C -0.874 175.738 176.600 0.019 0.000 1.066 499 K CA -0.168 56.130 56.287 0.019 0.000 0.901 499 K CB 1.080 33.592 32.500 0.021 0.000 1.089 499 K HN 0.393 nan 8.250 nan 0.000 0.476 500 D N 4.190 124.599 120.400 0.016 0.000 2.344 500 D HA 0.000 4.758 4.640 0.196 0.000 0.253 500 D C 0.517 176.825 176.300 0.014 0.000 1.255 500 D CA -0.464 53.545 54.000 0.015 0.000 0.894 500 D CB 1.133 41.940 40.800 0.012 0.000 1.067 500 D HN 0.297 nan 8.370 nan 0.000 0.492 512 D N 0.662 121.012 120.400 -0.084 0.000 2.382 512 D HA 0.085 4.843 4.640 0.196 0.000 0.245 512 D C -0.060 176.179 176.300 -0.101 0.000 1.120 512 D CA -0.454 53.495 54.000 -0.085 0.000 0.890 512 D CB 0.544 41.288 40.800 -0.092 0.000 1.201 512 D HN 0.486 nan 8.370 nan 0.000 0.433 513 N N 1.646 120.292 118.700 -0.091 0.000 3.170 513 N HA 0.067 4.925 4.740 0.196 0.000 0.305 513 N C -0.807 174.634 175.510 -0.115 0.000 1.499 513 N CA -0.638 52.354 53.050 -0.096 0.000 1.110 513 N CB 0.202 38.648 38.487 -0.069 0.000 1.390 513 N HN 0.431 nan 8.380 nan 0.000 0.508 514 S N 0.424 116.028 115.700 -0.161 0.000 2.669 514 S HA 0.540 5.128 4.470 0.196 0.000 0.270 514 S C -2.172 172.260 174.600 -0.280 0.000 1.225 514 S CA -0.995 57.073 58.200 -0.219 0.000 0.991 514 S CB 1.231 64.267 63.200 -0.273 0.000 0.987 514 S HN 0.269 nan 8.310 nan 0.000 0.552 515 P HA 0.133 nan 4.420 nan 0.000 0.272 515 P C 1.164 178.164 177.300 -0.500 0.000 1.248 515 P CA 0.023 62.855 63.100 -0.446 0.000 0.799 515 P CB -0.080 31.227 31.700 -0.656 0.000 0.997 516 G N 0.568 109.162 108.800 -0.344 0.000 2.484 516 G HA2 -0.230 3.848 3.960 0.196 0.000 0.215 516 G HA3 -0.230 3.848 3.960 0.196 0.000 0.215 516 G C 1.461 176.308 174.900 -0.088 0.000 1.219 516 G CA 0.612 45.624 45.100 -0.146 0.000 0.791 516 G HN 0.764 nan 8.290 nan 0.000 0.550 517 W N 1.455 122.711 121.300 -0.073 0.000 2.313 517 W HA -0.027 4.750 4.660 0.196 0.000 0.293 517 W C 2.150 178.640 176.519 -0.048 0.000 1.216 517 W CA 1.303 58.597 57.345 -0.086 0.000 1.223 517 W CB -1.103 28.218 29.460 -0.232 0.000 1.138 517 W HN 0.331 nan 8.180 nan 0.000 0.535 518 A N 1.586 123.754 122.820 -1.087 0.000 1.969 518 A HA -0.153 4.284 4.320 0.196 0.000 0.218 518 A C 2.145 179.493 177.584 -0.393 0.000 1.169 518 A CA 1.594 53.051 52.037 -0.967 0.000 0.635 518 A CB -0.594 17.651 19.000 -1.258 0.000 0.810 518 A HN 0.069 nan 8.150 nan 0.000 0.445 519 K N -0.906 119.312 120.400 -0.303 0.000 2.097 519 K HA -0.178 4.260 4.320 0.196 0.000 0.206 519 K C 1.674 178.109 176.600 -0.275 0.000 1.049 519 K CA 1.295 57.414 56.287 -0.280 0.000 0.933 519 K CB -0.416 31.906 32.500 -0.296 0.000 0.717 519 K HN 0.767 nan 8.250 nan 0.000 0.442 520 W N 0.876 122.055 121.300 -0.202 0.000 2.409 520 W HA 0.012 4.789 4.660 0.196 0.000 0.299 520 W C 2.379 178.793 176.519 -0.174 0.000 1.203 520 W CA 0.961 58.209 57.345 -0.163 0.000 1.298 520 W CB -0.722 28.677 29.460 -0.100 0.000 1.127 520 W HN 0.047 nan 8.180 nan 0.000 0.528 521 A N -0.259 122.635 122.820 0.123 0.000 2.019 521 A HA -0.150 4.288 4.320 0.196 0.000 0.219 521 A C 1.889 179.514 177.584 0.067 0.000 1.164 521 A CA 1.525 53.654 52.037 0.153 0.000 0.644 521 A CB -0.672 18.517 19.000 0.315 0.000 0.805 521 A HN 0.291 nan 8.150 nan 0.000 0.449 522 M N -1.405 118.094 119.600 -0.168 0.000 2.556 522 M HA 0.158 4.755 4.480 0.196 0.000 0.245 522 M C 1.204 177.068 176.300 -0.727 0.000 1.128 522 M CA 0.727 55.844 55.300 -0.305 0.000 1.069 522 M CB 0.225 32.691 32.600 -0.223 0.000 1.469 522 M HN 0.588 nan 8.290 nan 0.000 0.494 523 G N 1.235 109.519 108.800 -0.860 0.000 2.272 523 G HA2 -0.214 3.864 3.960 0.196 0.000 0.280 523 G HA3 -0.214 3.864 3.960 0.196 0.000 0.280 523 G C 0.175 174.771 174.900 -0.506 0.000 1.067 523 G CA -0.288 44.225 45.100 -0.977 0.000 0.902 523 G HN 0.310 nan 8.290 nan 0.000 0.500 524 L N -1.214 119.751 121.223 -0.431 0.000 2.556 524 L HA 0.575 5.033 4.340 0.196 0.000 0.226 524 L C 1.342 177.975 176.870 -0.396 0.000 1.089 524 L CA 0.572 55.207 54.840 -0.341 0.000 0.864 524 L CB -0.046 41.831 42.059 -0.303 0.000 1.067 524 L HN 0.522 nan 8.230 nan 0.000 0.477 525 L N -1.171 119.725 121.223 -0.544 0.000 2.341 525 L HA 0.715 5.173 4.340 0.196 0.000 0.254 525 L C -1.239 175.130 176.870 -0.834 0.000 1.040 525 L CA -0.384 54.017 54.840 -0.731 0.000 0.837 525 L CB 2.280 43.722 42.059 -1.027 0.000 1.425 525 L HN 0.177 nan 8.230 nan 0.000 0.414 526 S N 0.841 116.024 115.700 -0.862 0.000 2.751 526 S HA 0.212 4.800 4.470 0.196 0.000 0.289 526 S C -0.535 173.924 174.600 -0.234 0.000 0.965 526 S CA -0.817 57.064 58.200 -0.532 0.000 0.855 526 S CB 0.429 63.508 63.200 -0.202 0.000 1.068 526 S HN 0.556 nan 8.310 nan 0.000 0.462 527 L N 1.124 122.415 121.223 0.113 0.000 2.529 527 L HA 0.276 4.734 4.340 0.196 0.000 0.223 527 L C 0.757 177.664 176.870 0.063 0.000 1.113 527 L CA 0.287 55.198 54.840 0.118 0.000 0.861 527 L CB 0.125 42.339 42.059 0.258 0.000 1.012 527 L HN 0.658 nan 8.230 nan 0.000 0.461 528 S N -0.614 115.114 115.700 0.046 0.000 2.541 528 S HA 0.194 4.781 4.470 0.196 0.000 0.283 528 S C 0.761 175.239 174.600 -0.203 0.000 1.196 528 S CA -0.630 57.586 58.200 0.027 0.000 1.062 528 S CB 2.096 65.357 63.200 0.102 0.000 1.009 528 S HN -0.022 nan 8.310 nan 0.000 0.502 529 K N 1.586 121.872 120.400 -0.190 0.000 2.147 529 K HA 0.068 4.506 4.320 0.196 0.000 0.205 529 K C 1.057 177.183 176.600 -0.791 0.000 1.049 529 K CA 1.029 57.017 56.287 -0.499 0.000 0.936 529 K CB -0.241 32.033 32.500 -0.378 0.000 0.722 529 K HN 0.710 nan 8.250 nan 0.000 0.446 530 G N -0.607 107.507 108.800 -1.144 0.000 2.730 530 G HA2 0.533 4.611 3.960 0.196 0.000 0.289 530 G HA3 0.533 4.611 3.960 0.196 0.000 0.289 530 G C -1.393 172.494 174.900 -1.688 0.000 1.341 530 G CA -0.796 43.338 45.100 -1.610 0.000 0.932 530 G HN 0.327 nan 8.290 nan 0.000 0.481 531 N N -2.037 116.115 118.700 -0.914 0.000 2.934 531 N HA 0.314 5.172 4.740 0.196 0.000 0.253 531 N C -0.070 175.314 175.510 -0.210 0.000 1.466 531 N CA -0.977 51.873 53.050 -0.333 0.000 0.858 531 N CB 1.353 39.738 38.487 -0.170 0.000 1.459 531 N HN 0.248 nan 8.380 nan 0.000 0.532 532 L N -0.737 120.382 121.223 -0.173 0.000 2.612 532 L HA 0.444 4.902 4.340 0.196 0.000 0.230 532 L C 0.609 177.029 176.870 -0.750 0.000 1.140 532 L CA 0.143 54.799 54.840 -0.306 0.000 0.896 532 L CB -0.718 41.223 42.059 -0.196 0.000 1.065 532 L HN 0.710 nan 8.230 nan 0.000 0.447 533 A N -0.640 121.568 122.820 -1.020 0.000 2.373 533 A HA 0.649 5.086 4.320 0.196 0.000 0.291 533 A C 1.110 178.084 177.584 -1.017 0.000 1.171 533 A CA 0.083 51.112 52.037 -1.680 0.000 0.922 533 A CB 0.486 17.909 19.000 -2.629 0.000 1.400 533 A HN 0.111 nan 8.150 nan 0.000 0.474 534 G N -0.752 107.526 108.800 -0.869 0.000 3.061 534 G HA2 0.256 4.334 3.960 0.196 0.000 0.208 534 G HA3 0.256 4.334 3.960 0.196 0.000 0.208 534 G C -0.003 174.804 174.900 -0.156 0.000 1.175 534 G CA -0.308 44.572 45.100 -0.367 0.000 0.812 534 G HN 0.453 nan 8.290 nan 0.000 0.523 535 F N 1.161 121.028 119.950 -0.138 0.000 2.552 535 F HA 0.278 4.923 4.527 0.197 0.000 0.342 535 F C 1.515 177.237 175.800 -0.131 0.000 1.257 535 F CA -0.634 57.298 58.000 -0.112 0.000 1.058 535 F CB 0.729 39.659 39.000 -0.116 0.000 1.288 535 F HN 0.165 nan 8.300 nan 0.000 0.627 536 A N 3.760 126.628 122.820 0.082 0.000 2.308 536 A HA 0.261 4.699 4.320 0.196 0.000 0.217 536 A C 1.404 178.981 177.584 -0.011 0.000 1.216 536 A CA 0.086 52.132 52.037 0.014 0.000 0.864 536 A CB -0.099 18.920 19.000 0.033 0.000 0.902 536 A HN 0.815 nan 8.150 nan 0.000 0.499 537 L N -0.761 120.453 121.223 -0.015 0.000 2.693 537 L HA 0.318 4.776 4.340 0.196 0.000 0.235 537 L C 0.896 177.686 176.870 -0.133 0.000 1.127 537 L CA 0.016 54.815 54.840 -0.068 0.000 0.914 537 L CB 0.399 42.419 42.059 -0.066 0.000 1.193 537 L HN 0.344 nan 8.230 nan 0.000 0.502 538 A N -0.024 122.719 122.820 -0.127 0.000 2.276 538 A HA 0.643 5.081 4.320 0.196 0.000 0.316 538 A C 0.843 178.282 177.584 -0.242 0.000 1.229 538 A CA 0.317 52.238 52.037 -0.193 0.000 0.851 538 A CB 0.472 19.395 19.000 -0.128 0.000 1.165 538 A HN 0.345 nan 8.150 nan 0.000 0.513 539 G N 1.561 110.194 108.800 -0.277 0.000 2.574 539 G HA2 0.049 4.127 3.960 0.196 0.000 0.286 539 G HA3 0.049 4.127 3.960 0.196 0.000 0.286 539 G C 1.224 175.904 174.900 -0.366 0.000 1.212 539 G CA 0.832 45.743 45.100 -0.315 0.000 0.979 539 G HN 2.125 nan 8.290 nan 0.000 0.557 540 A N -0.235 122.239 122.820 -0.577 0.000 2.208 540 A HA 0.521 4.959 4.320 0.196 0.000 0.209 540 A C 2.836 180.060 177.584 -0.600 0.000 1.161 540 A CA 2.048 53.621 52.037 -0.772 0.000 0.782 540 A CB -0.726 17.272 19.000 -1.670 0.000 0.816 540 A HN 2.946 nan 8.150 nan 0.000 0.477 541 G N -1.098 107.441 108.800 -0.435 0.000 2.299 541 G HA2 -0.281 3.797 3.960 0.196 0.000 0.237 541 G HA3 -0.281 3.797 3.960 0.196 0.000 0.237 541 G C 0.333 175.175 174.900 -0.097 0.000 1.027 541 G CA -0.085 44.902 45.100 -0.189 0.000 0.619 541 G HN 0.526 nan 8.290 nan 0.000 0.513 542 F N 1.894 121.678 119.950 -0.276 0.000 2.452 542 F HA 0.054 4.699 4.527 0.196 0.000 0.403 542 F C 0.934 176.499 175.800 -0.391 0.000 0.972 542 F CA 0.539 58.356 58.000 -0.305 0.000 1.194 542 F CB 0.327 39.110 39.000 -0.361 0.000 0.908 542 F HN 0.154 nan 8.300 nan 0.000 0.555 543 D N 5.315 125.707 120.400 -0.014 0.000 2.500 543 D HA 0.066 4.824 4.640 0.196 0.000 0.219 543 D C 0.326 176.669 176.300 0.071 0.000 1.137 543 D CA -0.436 53.531 54.000 -0.055 0.000 0.946 543 D CB 0.122 40.908 40.800 -0.023 0.000 1.022 543 D HN 0.333 nan 8.370 nan 0.000 0.518 544 W N 2.924 124.201 121.300 -0.039 0.000 2.961 544 W HA 0.016 4.794 4.660 0.196 0.000 0.240 544 W C 1.696 178.157 176.519 -0.095 0.000 1.305 544 W CA 0.100 57.410 57.345 -0.059 0.000 1.465 544 W CB -0.390 29.039 29.460 -0.051 0.000 1.135 544 W HN 0.541 nan 8.180 nan 0.000 0.688 545 K N -0.114 120.324 120.400 0.064 0.000 2.404 545 K HA -0.013 4.425 4.320 0.196 0.000 0.194 545 K C 1.190 177.781 176.600 -0.016 0.000 1.023 545 K CA 0.736 57.004 56.287 -0.032 0.000 1.094 545 K CB -0.240 32.172 32.500 -0.146 0.000 0.841 545 K HN -0.104 nan 8.250 nan 0.000 0.523 546 N N 0.651 119.369 118.700 0.030 0.000 2.405 546 N HA 0.036 4.893 4.740 0.196 0.000 0.175 546 N C 1.234 176.793 175.510 0.082 0.000 1.051 546 N CA 0.308 53.383 53.050 0.042 0.000 0.899 546 N CB 0.276 38.794 38.487 0.051 0.000 1.000 546 N HN 0.090 nan 8.380 nan 0.000 0.451 547 I N 0.724 121.344 120.570 0.083 0.000 2.201 547 I HA -0.130 4.158 4.170 0.196 0.000 0.233 547 I C 2.190 178.361 176.117 0.090 0.000 1.067 547 I CA 0.584 61.927 61.300 0.071 0.000 1.354 547 I CB -1.504 36.497 38.000 0.002 0.000 1.108 547 I HN 0.213 nan 8.210 nan 0.000 0.411 548 L N 0.975 122.210 121.223 0.020 0.000 2.089 548 L HA -0.247 4.211 4.340 0.196 0.000 0.213 548 L C 2.423 179.308 176.870 0.025 0.000 1.079 548 L CA 2.124 56.950 54.840 -0.023 0.000 0.758 548 L CB -0.692 41.292 42.059 -0.126 0.000 0.891 548 L HN 0.230 nan 8.230 nan 0.000 0.433 549 L N 0.383 121.624 121.223 0.031 0.000 2.071 549 L HA -0.060 4.398 4.340 0.196 0.000 0.201 549 L C 2.022 178.996 176.870 0.173 0.000 1.076 549 L CA 1.403 56.274 54.840 0.051 0.000 0.755 549 L CB -0.809 41.233 42.059 -0.027 0.000 0.915 549 L HN 0.270 nan 8.230 nan 0.000 0.445 550 N N -1.311 117.487 118.700 0.164 0.000 2.523 550 N HA -0.166 4.692 4.740 0.196 0.000 0.208 550 N C 0.741 176.422 175.510 0.285 0.000 1.313 550 N CA 0.364 53.532 53.050 0.196 0.000 0.853 550 N CB 0.104 38.683 38.487 0.152 0.000 1.090 550 N HN 0.613 nan 8.380 nan 0.000 0.463 551 Y N -1.292 119.133 120.300 0.208 0.000 2.701 551 Y HA 0.206 4.874 4.550 0.197 0.000 0.275 551 Y C 1.232 177.287 175.900 0.258 0.000 1.133 551 Y CA 0.056 58.290 58.100 0.223 0.000 1.241 551 Y CB -0.385 38.216 38.460 0.235 0.000 1.389 551 Y HN -0.170 nan 8.280 nan 0.000 0.486 552 F N 1.387 121.377 119.950 0.066 0.000 2.186 552 F HA -0.094 4.552 4.527 0.197 0.000 0.299 552 F C 2.374 178.113 175.800 -0.103 0.000 1.090 552 F CA 2.067 60.026 58.000 -0.068 0.000 1.307 552 F CB -0.947 38.090 39.000 0.061 0.000 1.019 552 F HN 0.018 nan 8.300 nan 0.000 0.489 553 T N -0.474 114.198 114.554 0.196 0.000 2.803 553 T HA -0.133 4.335 4.350 0.196 0.000 0.269 553 T C 2.272 177.060 174.700 0.145 0.000 1.052 553 T CA 1.283 63.478 62.100 0.159 0.000 1.136 553 T CB -0.484 68.612 68.868 0.381 0.000 0.864 553 T HN 0.030 nan 8.240 nan 0.000 0.467 554 V N 1.292 121.253 119.914 0.079 0.000 2.453 554 V HA -0.064 4.174 4.120 0.196 0.000 0.247 554 V C 2.332 178.411 176.094 -0.025 0.000 1.048 554 V CA 1.194 63.522 62.300 0.047 0.000 1.049 554 V CB -0.519 31.318 31.823 0.023 0.000 0.672 554 V HN 0.517 nan 8.190 nan 0.000 0.457 555 I N 0.653 121.128 120.570 -0.158 0.000 2.361 555 I HA -0.135 4.152 4.170 0.196 0.000 0.251 555 I C 2.457 178.537 176.117 -0.062 0.000 1.133 555 I CA 1.508 62.695 61.300 -0.188 0.000 1.413 555 I CB -0.865 36.905 38.000 -0.383 0.000 1.073 555 I HN 0.414 nan 8.210 nan 0.000 0.424 556 G N 1.803 110.605 108.800 0.003 0.000 2.454 556 G HA2 -0.147 3.931 3.960 0.196 0.000 0.214 556 G HA3 -0.147 3.931 3.960 0.196 0.000 0.214 556 G C 1.493 176.549 174.900 0.260 0.000 1.217 556 G CA 0.258 45.456 45.100 0.163 0.000 0.799 556 G HN 0.161 nan 8.290 nan 0.000 0.538 557 I N 2.121 122.865 120.570 0.290 0.000 2.530 557 I HA -0.079 4.209 4.170 0.196 0.000 0.257 557 I C 2.783 178.958 176.117 0.096 0.000 1.179 557 I CA 1.303 62.703 61.300 0.165 0.000 1.440 557 I CB -1.476 36.624 38.000 0.166 0.000 1.087 557 I HN 0.266 nan 8.210 nan 0.000 0.440 558 G N 0.599 109.448 108.800 0.081 0.000 2.459 558 G HA2 -0.015 4.063 3.960 0.196 0.000 0.213 558 G HA3 -0.015 4.063 3.960 0.196 0.000 0.213 558 G C 1.719 176.628 174.900 0.015 0.000 1.155 558 G CA 0.599 45.730 45.100 0.051 0.000 0.811 558 G HN 0.434 nan 8.290 nan 0.000 0.534 559 G N 1.425 110.232 108.800 0.013 0.000 2.402 559 G HA2 -0.132 3.945 3.960 0.196 0.000 0.216 559 G HA3 -0.132 3.945 3.960 0.196 0.000 0.216 559 G C 1.670 176.559 174.900 -0.019 0.000 1.162 559 G CA 0.774 45.871 45.100 -0.005 0.000 0.777 559 G HN 0.262 nan 8.290 nan 0.000 0.539 560 I N 1.383 121.947 120.570 -0.010 0.000 2.194 560 I HA -0.165 4.123 4.170 0.196 0.000 0.246 560 I C 2.742 178.790 176.117 -0.114 0.000 1.093 560 I CA 0.944 62.209 61.300 -0.059 0.000 1.355 560 I CB -0.846 37.111 38.000 -0.072 0.000 1.046 560 I HN 0.119 nan 8.210 nan 0.000 0.413 561 I N 0.754 121.254 120.570 -0.117 0.000 2.133 561 I HA -0.233 4.055 4.170 0.196 0.000 0.238 561 I C 2.497 178.530 176.117 -0.139 0.000 1.074 561 I CA 1.521 62.697 61.300 -0.207 0.000 1.342 561 I CB -1.491 36.382 38.000 -0.212 0.000 1.053 561 I HN 0.211 nan 8.210 nan 0.000 0.404 562 T N 1.448 115.963 114.554 -0.065 0.000 2.802 562 T HA -0.198 4.270 4.350 0.196 0.000 0.269 562 T C 1.848 176.528 174.700 -0.033 0.000 1.062 562 T CA 1.556 63.643 62.100 -0.022 0.000 1.133 562 T CB -0.262 68.603 68.868 -0.004 0.000 0.852 562 T HN 0.494 nan 8.240 nan 0.000 0.485 563 A N 0.758 123.541 122.820 -0.062 0.000 1.862 563 A HA 0.129 4.567 4.320 0.196 0.000 0.211 563 A C 2.413 179.942 177.584 -0.090 0.000 1.220 563 A CA 0.642 52.638 52.037 -0.069 0.000 0.616 563 A CB -0.711 18.249 19.000 -0.068 0.000 0.878 563 A HN 0.318 nan 8.150 nan 0.000 0.453 564 V N 0.633 120.467 119.914 -0.133 0.000 2.982 564 V HA -0.192 4.045 4.120 0.196 0.000 0.265 564 V C 2.445 178.454 176.094 -0.142 0.000 1.122 564 V CA 2.185 64.384 62.300 -0.169 0.000 1.143 564 V CB -1.354 30.299 31.823 -0.283 0.000 0.726 564 V HN 0.614 nan 8.190 nan 0.000 0.507 565 T N 0.632 115.126 114.554 -0.099 0.000 2.706 565 T HA -0.034 4.434 4.350 0.196 0.000 0.255 565 T C 1.934 176.654 174.700 0.034 0.000 1.048 565 T CA 1.537 63.625 62.100 -0.020 0.000 1.153 565 T CB -0.495 68.390 68.868 0.028 0.000 0.865 565 T HN 0.581 nan 8.240 nan 0.000 0.414 566 G N 1.376 110.189 108.800 0.022 0.000 2.498 566 G HA2 -0.106 3.971 3.960 0.196 0.000 0.219 566 G HA3 -0.106 3.971 3.960 0.196 0.000 0.219 566 G C 1.379 176.269 174.900 -0.018 0.000 1.119 566 G CA 0.345 45.452 45.100 0.012 0.000 0.766 566 G HN 0.396 nan 8.290 nan 0.000 0.552 567 I N 0.047 120.596 120.570 -0.036 0.000 2.333 567 I HA 0.028 4.316 4.170 0.196 0.000 0.246 567 I C 2.203 178.317 176.117 -0.006 0.000 1.106 567 I CA 0.755 62.035 61.300 -0.035 0.000 1.411 567 I CB -0.690 37.287 38.000 -0.039 0.000 1.082 567 I HN 0.075 nan 8.210 nan 0.000 0.420 568 L N -0.241 120.980 121.223 -0.005 0.000 2.529 568 L HA 0.123 4.580 4.340 0.196 0.000 0.223 568 L C 2.274 179.183 176.870 0.066 0.000 1.113 568 L CA 0.709 55.559 54.840 0.016 0.000 0.861 568 L CB -0.818 41.233 42.059 -0.014 0.000 1.012 568 L HN 0.094 nan 8.230 nan 0.000 0.461 569 L N -0.484 120.794 121.223 0.092 0.000 1.956 569 L HA -0.237 4.221 4.340 0.196 0.000 0.216 569 L C 2.506 179.448 176.870 0.120 0.000 1.073 569 L CA 1.891 56.818 54.840 0.146 0.000 0.762 569 L CB -1.215 40.934 42.059 0.150 0.000 0.889 569 L HN 0.430 nan 8.230 nan 0.000 0.433 570 G N 0.142 108.989 108.800 0.079 0.000 2.553 570 G HA2 -0.265 3.813 3.960 0.196 0.000 0.218 570 G HA3 -0.265 3.813 3.960 0.196 0.000 0.218 570 G C -0.727 174.240 174.900 0.110 0.000 1.195 570 G CA 1.128 46.274 45.100 0.078 0.000 0.779 570 G HN 0.341 nan 8.290 nan 0.000 0.577 571 P HA -0.042 nan 4.420 nan 0.000 0.216 571 P C 1.897 179.300 177.300 0.172 0.000 1.150 571 P CA 0.805 63.959 63.100 0.091 0.000 0.837 571 P CB -0.036 31.689 31.700 0.042 0.000 0.786 572 I N -0.936 119.721 120.570 0.145 0.000 2.162 572 I HA -0.140 4.148 4.170 0.196 0.000 0.238 572 I C 2.596 178.815 176.117 0.170 0.000 1.076 572 I CA 1.737 63.126 61.300 0.149 0.000 1.353 572 I CB -1.474 36.610 38.000 0.141 0.000 1.063 572 I HN -0.011 nan 8.210 nan 0.000 0.408 573 G N 0.813 109.719 108.800 0.176 0.000 2.547 573 G HA2 -0.353 3.724 3.960 0.196 0.000 0.221 573 G HA3 -0.353 3.724 3.960 0.196 0.000 0.221 573 G C 1.667 176.667 174.900 0.166 0.000 1.140 573 G CA 0.991 46.188 45.100 0.160 0.000 0.760 573 G HN 0.340 nan 8.290 nan 0.000 0.583 574 F N 2.168 122.152 119.950 0.057 0.000 2.046 574 F HA -0.012 4.559 4.527 0.073 0.000 0.297 574 F C 2.926 178.759 175.800 0.056 0.000 1.123 574 F CA 1.946 59.980 58.000 0.056 0.000 1.199 574 F CB -0.317 38.714 39.000 0.051 0.000 0.972 574 F HN 0.243 nan 8.300 nan 0.000 0.474 575 A N 0.807 123.735 122.820 0.179 0.000 1.883 575 A HA -0.185 4.253 4.320 0.196 0.000 0.217 575 A C 2.278 179.848 177.584 -0.023 0.000 1.186 575 A CA 1.990 54.062 52.037 0.057 0.000 0.624 575 A CB -1.302 17.773 19.000 0.125 0.000 0.822 575 A HN 0.532 nan 8.150 nan 0.000 0.444 576 L N -0.608 120.628 121.223 0.021 0.000 1.989 576 L HA -0.190 4.268 4.340 0.196 0.000 0.211 576 L C 2.682 179.520 176.870 -0.053 0.000 1.071 576 L CA 1.453 56.295 54.840 0.005 0.000 0.749 576 L CB -0.639 41.451 42.059 0.051 0.000 0.890 576 L HN 0.512 nan 8.230 nan 0.000 0.431 577 L N 0.524 121.705 121.223 -0.071 0.000 2.017 577 L HA -0.096 4.361 4.340 0.196 0.000 0.208 577 L C 2.077 178.811 176.870 -0.226 0.000 1.073 577 L CA 2.238 57.006 54.840 -0.121 0.000 0.745 577 L CB -1.401 40.610 42.059 -0.080 0.000 0.894 577 L HN 0.305 nan 8.230 nan 0.000 0.432 578 G N -0.442 108.173 108.800 -0.309 0.000 3.094 578 G HA2 -0.024 4.054 3.960 0.196 0.000 0.208 578 G HA3 -0.024 4.054 3.960 0.196 0.000 0.208 578 G C 1.190 175.952 174.900 -0.230 0.000 1.189 578 G CA 0.523 45.429 45.100 -0.324 0.000 0.856 578 G HN 0.454 nan 8.290 nan 0.000 0.510 579 L N -1.122 119.980 121.223 -0.202 0.000 2.663 579 L HA 0.418 4.876 4.340 0.196 0.000 0.218 579 L C 2.387 179.157 176.870 -0.167 0.000 1.043 579 L CA 1.208 55.961 54.840 -0.145 0.000 0.876 579 L CB -0.169 41.842 42.059 -0.081 0.000 1.263 579 L HN 0.018 nan 8.230 nan 0.000 0.486 580 G N -0.609 108.092 108.800 -0.165 0.000 2.776 580 G HA2 0.006 4.084 3.960 0.196 0.000 0.209 580 G HA3 0.006 4.084 3.960 0.196 0.000 0.209 580 G C 0.990 175.758 174.900 -0.221 0.000 1.145 580 G CA 1.140 46.151 45.100 -0.149 0.000 0.791 580 G HN 0.412 nan 8.290 nan 0.000 0.530 581 V N -4.650 115.036 119.914 -0.379 0.000 3.562 581 V HA 0.605 4.843 4.120 0.196 0.000 0.270 581 V C 1.548 177.259 176.094 -0.638 0.000 1.418 581 V CA 0.773 62.723 62.300 -0.584 0.000 1.033 581 V CB -0.032 31.194 31.823 -0.994 0.000 0.820 581 V HN 0.902 nan 8.190 nan 0.000 0.441 582 G N 0.485 109.006 108.800 -0.466 0.000 2.144 582 G HA2 -0.271 3.807 3.960 0.196 0.000 0.218 582 G HA3 -0.271 3.807 3.960 0.196 0.000 0.218 582 G C 0.367 175.246 174.900 -0.035 0.000 0.988 582 G CA 0.430 45.400 45.100 -0.218 0.000 0.659 582 G HN 0.538 nan 8.290 nan 0.000 0.522 583 F N -0.066 119.851 119.950 -0.055 0.000 2.416 583 F HA 0.395 5.002 4.527 0.132 0.000 0.296 583 F C 1.397 177.169 175.800 -0.047 0.000 1.099 583 F CA 0.198 58.166 58.000 -0.052 0.000 1.427 583 F CB 0.181 39.134 39.000 -0.078 0.000 1.079 583 F HN 0.046 nan 8.300 nan 0.000 0.536 584 L N 0.436 121.703 121.223 0.073 0.000 2.365 584 L HA 0.329 4.787 4.340 0.196 0.000 0.273 584 L C -0.358 176.516 176.870 0.007 0.000 1.000 584 L CA -0.755 54.105 54.840 0.035 0.000 0.819 584 L CB 1.998 44.056 42.059 -0.002 0.000 1.284 584 L HN -0.035 nan 8.230 nan 0.000 0.418 585 Q N 1.187 121.000 119.800 0.021 0.000 2.222 585 Q HA 0.622 5.080 4.340 0.196 0.000 0.211 585 Q C -0.056 175.950 176.000 0.009 0.000 1.013 585 Q CA -0.873 54.937 55.803 0.011 0.000 0.993 585 Q CB 0.973 29.723 28.738 0.019 0.000 1.151 585 Q HN 0.723 nan 8.270 nan 0.000 0.544 586 A N 1.060 123.884 122.820 0.007 0.000 2.462 586 A HA 0.035 4.473 4.320 0.196 0.000 0.243 586 A C 0.428 178.022 177.584 0.017 0.000 1.076 586 A CA 0.235 52.278 52.037 0.009 0.000 0.773 586 A CB -0.069 18.935 19.000 0.006 0.000 1.010 586 A HN 0.890 nan 8.150 nan 0.000 0.493 587 D N -0.301 120.112 120.400 0.021 0.000 2.983 587 D HA -0.197 4.561 4.640 0.196 0.000 0.225 587 D C 0.883 177.202 176.300 0.031 0.000 1.174 587 D CA 1.699 55.715 54.000 0.026 0.000 0.831 587 D CB -0.568 40.245 40.800 0.021 0.000 1.104 587 D HN 0.892 nan 8.370 nan 0.000 0.421 588 Q N -0.694 119.127 119.800 0.035 0.000 2.390 588 Q HA 0.219 4.677 4.340 0.196 0.000 0.216 588 Q C 2.087 178.122 176.000 0.059 0.000 0.916 588 Q CA 0.624 56.453 55.803 0.044 0.000 0.911 588 Q CB 0.107 28.870 28.738 0.043 0.000 1.035 588 Q HN 0.246 nan 8.270 nan 0.000 0.541 589 A N 0.594 123.449 122.820 0.059 0.000 2.016 589 A HA -0.030 4.408 4.320 0.196 0.000 0.217 589 A C 1.863 179.496 177.584 0.083 0.000 1.162 589 A CA 0.679 52.766 52.037 0.084 0.000 0.662 589 A CB -0.115 18.923 19.000 0.063 0.000 0.812 589 A HN 0.157 nan 8.150 nan 0.000 0.450 590 R N -0.546 119.991 120.500 0.061 0.000 2.193 590 R HA 0.097 4.554 4.340 0.196 0.000 0.213 590 R C 1.978 178.309 176.300 0.051 0.000 1.055 590 R CA 0.856 56.990 56.100 0.056 0.000 0.995 590 R CB -0.463 29.865 30.300 0.047 0.000 0.893 590 R HN 0.535 nan 8.270 nan 0.000 0.459 591 R N 0.200 120.730 120.500 0.049 0.000 2.313 591 R HA -0.001 4.457 4.340 0.196 0.000 0.199 591 R C 1.231 177.558 176.300 0.045 0.000 0.958 591 R CA 0.788 56.913 56.100 0.041 0.000 1.047 591 R CB 0.277 30.599 30.300 0.036 0.000 0.955 591 R HN 0.304 nan 8.270 nan 0.000 0.481 592 E N -0.236 120.001 120.200 0.062 0.000 2.288 592 E HA -0.011 4.457 4.350 0.196 0.000 0.200 592 E C 1.838 178.477 176.600 0.065 0.000 0.880 592 E CA -0.186 56.255 56.400 0.069 0.000 0.971 592 E CB -0.006 29.761 29.700 0.112 0.000 0.954 592 E HN 0.209 nan 8.360 nan 0.000 0.489 593 L N 1.212 122.485 121.223 0.083 0.000 2.051 593 L HA -0.213 4.244 4.340 0.196 0.000 0.214 593 L C 2.293 179.189 176.870 0.042 0.000 1.076 593 L CA 1.342 56.227 54.840 0.076 0.000 0.758 593 L CB -0.169 41.937 42.059 0.079 0.000 0.890 593 L HN 0.164 nan 8.230 nan 0.000 0.433 594 V N -0.155 119.781 119.914 0.037 0.000 2.244 594 V HA -0.293 3.945 4.120 0.196 0.000 0.244 594 V C 2.571 178.671 176.094 0.010 0.000 1.042 594 V CA 1.962 64.275 62.300 0.022 0.000 1.006 594 V CB -0.751 31.087 31.823 0.025 0.000 0.641 594 V HN 0.481 nan 8.190 nan 0.000 0.446 595 K N 0.389 120.797 120.400 0.013 0.000 2.107 595 K HA -0.283 4.155 4.320 0.196 0.000 0.211 595 K C 1.985 178.578 176.600 -0.012 0.000 1.049 595 K CA 2.761 59.049 56.287 0.001 0.000 0.927 595 K CB -0.837 31.667 32.500 0.007 0.000 0.714 595 K HN 0.556 nan 8.250 nan 0.000 0.452 596 T N 1.051 115.599 114.554 -0.009 0.000 2.732 596 T HA -0.007 4.461 4.350 0.196 0.000 0.261 596 T C 1.925 176.611 174.700 -0.023 0.000 1.040 596 T CA 1.450 63.535 62.100 -0.024 0.000 1.145 596 T CB -0.448 68.406 68.868 -0.024 0.000 0.866 596 T HN 0.451 nan 8.240 nan 0.000 0.427 597 A N 2.957 125.769 122.820 -0.013 0.000 1.862 597 A HA -0.255 4.183 4.320 0.196 0.000 0.214 597 A C 2.194 179.755 177.584 -0.038 0.000 1.228 597 A CA 2.230 54.251 52.037 -0.027 0.000 0.665 597 A CB -0.971 18.015 19.000 -0.024 0.000 0.845 597 A HN 0.335 nan 8.150 nan 0.000 0.459 598 K N 0.422 120.802 120.400 -0.033 0.000 2.117 598 K HA -0.301 4.137 4.320 0.196 0.000 0.215 598 K C 2.076 178.646 176.600 -0.050 0.000 1.053 598 K CA 2.694 58.958 56.287 -0.039 0.000 0.935 598 K CB -0.501 31.984 32.500 -0.024 0.000 0.719 598 K HN 0.618 nan 8.250 nan 0.000 0.460 599 K N 0.246 120.617 120.400 -0.048 0.000 1.991 599 K HA -0.173 4.265 4.320 0.196 0.000 0.212 599 K C 1.907 178.456 176.600 -0.084 0.000 1.049 599 K CA 1.842 58.092 56.287 -0.062 0.000 0.932 599 K CB -0.093 32.374 32.500 -0.055 0.000 0.717 599 K HN 0.119 nan 8.250 nan 0.000 0.441 600 E N 0.849 121.014 120.200 -0.059 0.000 2.077 600 E HA -0.173 4.295 4.350 0.196 0.000 0.193 600 E C 2.172 178.747 176.600 -0.041 0.000 0.989 600 E CA 0.749 57.130 56.400 -0.033 0.000 0.800 600 E CB -0.226 29.494 29.700 0.034 0.000 0.746 600 E HN 0.292 nan 8.360 nan 0.000 0.452 601 L N 0.586 121.778 121.223 -0.051 0.000 1.955 601 L HA -0.140 4.318 4.340 0.196 0.000 0.213 601 L C 2.583 179.403 176.870 -0.082 0.000 1.072 601 L CA 1.246 56.047 54.840 -0.065 0.000 0.755 601 L CB -1.589 40.411 42.059 -0.098 0.000 0.888 601 L HN 0.007 nan 8.230 nan 0.000 0.432 602 V N 0.067 119.926 119.914 -0.092 0.000 2.982 602 V HA -0.229 4.009 4.120 0.196 0.000 0.265 602 V C 2.349 178.361 176.094 -0.137 0.000 1.122 602 V CA 1.429 63.672 62.300 -0.096 0.000 1.143 602 V CB -0.871 30.904 31.823 -0.080 0.000 0.726 602 V HN 0.500 nan 8.190 nan 0.000 0.507 603 K N -1.542 118.733 120.400 -0.209 0.000 2.361 603 K HA 0.006 4.443 4.320 0.196 0.000 0.194 603 K C 1.618 177.858 176.600 -0.600 0.000 1.032 603 K CA 0.556 56.600 56.287 -0.404 0.000 1.048 603 K CB 0.228 32.426 32.500 -0.503 0.000 0.842 603 K HN 0.553 nan 8.250 nan 0.000 0.526 604 H N -1.008 118.028 119.070 -0.057 0.000 3.051 604 H HA 0.041 4.713 4.556 0.194 0.000 0.218 604 H C 1.728 177.021 175.328 -0.058 0.000 0.898 604 H CA -0.055 55.961 56.048 -0.054 0.000 0.989 604 H CB -0.030 29.700 29.762 -0.054 0.000 1.343 604 H HN -0.010 nan 8.280 nan 0.000 0.499 605 L N 2.620 123.866 121.223 0.039 0.000 2.030 605 L HA -0.163 4.294 4.340 0.196 0.000 0.222 605 L C -0.501 176.356 176.870 -0.022 0.000 1.082 605 L CA 2.260 57.084 54.840 -0.025 0.000 0.785 605 L CB -1.031 40.982 42.059 -0.077 0.000 0.895 605 L HN 0.234 nan 8.230 nan 0.000 0.439 606 P HA -0.223 nan 4.420 nan 0.000 0.216 606 P C 1.226 178.537 177.300 0.019 0.000 1.150 606 P CA 1.542 64.630 63.100 -0.020 0.000 0.837 606 P CB 0.027 31.702 31.700 -0.041 0.000 0.786 607 Q N 0.476 120.298 119.800 0.035 0.000 2.049 607 Q HA -0.082 4.375 4.340 0.196 0.000 0.198 607 Q C 2.245 178.299 176.000 0.090 0.000 0.971 607 Q CA 1.442 57.286 55.803 0.069 0.000 0.833 607 Q CB -1.333 27.452 28.738 0.079 0.000 0.896 607 Q HN 0.168 nan 8.270 nan 0.000 0.434 608 V N -1.444 118.502 119.914 0.054 0.000 2.407 608 V HA -0.147 4.091 4.120 0.196 0.000 0.248 608 V C 2.092 178.208 176.094 0.038 0.000 1.055 608 V CA 1.703 64.021 62.300 0.029 0.000 1.049 608 V CB -1.653 30.165 31.823 -0.008 0.000 0.662 608 V HN 0.304 nan 8.190 nan 0.000 0.455 609 A N 0.538 123.371 122.820 0.022 0.000 1.841 609 A HA -0.321 4.116 4.320 0.196 0.000 0.216 609 A C 2.211 179.850 177.584 0.092 0.000 1.199 609 A CA 2.530 54.569 52.037 0.004 0.000 0.621 609 A CB -1.390 17.581 19.000 -0.049 0.000 0.835 609 A HN 0.799 nan 8.150 nan 0.000 0.445 610 H N 0.172 119.249 119.070 0.012 0.000 2.321 610 H HA -0.179 4.494 4.556 0.196 0.000 0.295 610 H C 1.976 177.330 175.328 0.043 0.000 1.102 610 H CA 2.372 58.438 56.048 0.031 0.000 1.266 610 H CB -0.180 29.587 29.762 0.008 0.000 1.363 610 H HN 0.684 nan 8.280 nan 0.000 0.492 611 E N -0.494 119.743 120.200 0.061 0.000 2.110 611 E HA -0.196 4.272 4.350 0.196 0.000 0.193 611 E C 2.274 178.870 176.600 -0.006 0.000 0.988 611 E CA 1.001 57.400 56.400 -0.002 0.000 0.804 611 E CB 0.039 29.759 29.700 0.034 0.000 0.745 611 E HN 0.554 nan 8.360 nan 0.000 0.458 612 Q N 0.302 120.135 119.800 0.054 0.000 2.083 612 Q HA -0.064 4.394 4.340 0.196 0.000 0.198 612 Q C 2.279 178.357 176.000 0.130 0.000 0.969 612 Q CA 1.361 57.229 55.803 0.109 0.000 0.838 612 Q CB -0.281 28.576 28.738 0.198 0.000 0.900 612 Q HN 0.265 nan 8.270 nan 0.000 0.436 613 S N 0.279 116.107 115.700 0.212 0.000 2.641 613 S HA -0.118 4.470 4.470 0.196 0.000 0.239 613 S C 1.514 176.134 174.600 0.032 0.000 0.972 613 S CA 0.813 59.139 58.200 0.210 0.000 0.954 613 S CB 0.054 63.443 63.200 0.316 0.000 0.767 613 S HN 0.130 nan 8.310 nan 0.000 0.539 614 Q N 0.691 120.481 119.800 -0.017 0.000 2.356 614 Q HA 0.273 4.731 4.340 0.196 0.000 0.205 614 Q C 1.440 177.492 176.000 0.086 0.000 0.901 614 Q CA 0.423 56.220 55.803 -0.011 0.000 0.938 614 Q CB -0.090 28.592 28.738 -0.094 0.000 1.081 614 Q HN 0.464 nan 8.270 nan 0.000 0.517 615 V N -1.207 118.745 119.914 0.063 0.000 2.575 615 V HA -0.037 4.200 4.120 0.196 0.000 0.242 615 V C 1.953 178.157 176.094 0.183 0.000 1.045 615 V CA 0.942 63.328 62.300 0.144 0.000 1.065 615 V CB -0.243 31.632 31.823 0.086 0.000 0.717 615 V HN 0.118 nan 8.190 nan 0.000 0.467 616 V N -0.476 119.448 119.914 0.017 0.000 2.594 616 V HA -0.272 3.966 4.120 0.196 0.000 0.253 616 V C 2.213 178.363 176.094 0.093 0.000 1.069 616 V CA 2.206 64.500 62.300 -0.010 0.000 1.082 616 V CB -0.655 31.014 31.823 -0.257 0.000 0.680 616 V HN 0.673 nan 8.190 nan 0.000 0.469 617 Y N 1.522 121.831 120.300 0.016 0.000 2.114 617 Y HA -0.234 4.434 4.550 0.196 0.000 0.284 617 Y C 2.382 178.307 175.900 0.041 0.000 1.143 617 Y CA 2.237 60.359 58.100 0.036 0.000 1.135 617 Y CB -0.482 37.988 38.460 0.017 0.000 0.980 617 Y HN 0.336 nan 8.280 nan 0.000 0.499 618 N N -0.207 118.601 118.700 0.182 0.000 2.205 618 N HA -0.217 4.641 4.740 0.196 0.000 0.186 618 N C 1.842 177.330 175.510 -0.037 0.000 1.015 618 N CA 0.672 53.779 53.050 0.095 0.000 0.862 618 N CB -0.241 38.353 38.487 0.179 0.000 0.986 618 N HN 0.471 nan 8.380 nan 0.000 0.429 619 A N 0.742 123.507 122.820 -0.092 0.000 1.897 619 A HA -0.031 4.407 4.320 0.196 0.000 0.215 619 A C 2.380 179.876 177.584 -0.147 0.000 1.181 619 A CA 0.894 52.777 52.037 -0.257 0.000 0.620 619 A CB -0.483 18.289 19.000 -0.379 0.000 0.821 619 A HN 0.077 nan 8.150 nan 0.000 0.443 620 V N 0.339 120.201 119.914 -0.087 0.000 2.548 620 V HA -0.201 4.037 4.120 0.196 0.000 0.249 620 V C 2.473 178.590 176.094 0.039 0.000 1.055 620 V CA 2.175 64.470 62.300 -0.008 0.000 1.065 620 V CB -0.607 31.227 31.823 0.018 0.000 0.681 620 V HN 0.683 nan 8.190 nan 0.000 0.462 621 K N -0.073 120.253 120.400 -0.123 0.000 2.097 621 K HA -0.204 4.233 4.320 0.196 0.000 0.205 621 K C 2.238 178.855 176.600 0.028 0.000 1.050 621 K CA 1.327 57.558 56.287 -0.093 0.000 0.938 621 K CB -0.061 32.313 32.500 -0.210 0.000 0.718 621 K HN 0.281 nan 8.250 nan 0.000 0.442 622 E N 1.003 121.195 120.200 -0.013 0.000 2.023 622 E HA -0.189 4.278 4.350 0.196 0.000 0.196 622 E C 2.080 178.694 176.600 0.024 0.000 1.003 622 E CA 1.252 57.650 56.400 -0.002 0.000 0.809 622 E CB -0.781 28.883 29.700 -0.060 0.000 0.755 622 E HN 0.375 nan 8.360 nan 0.000 0.449 623 C N 0.028 119.313 119.300 -0.026 0.000 2.353 623 C HA -0.215 4.363 4.460 0.196 0.000 0.272 623 C C 2.541 177.551 174.990 0.033 0.000 1.165 623 C CA 1.159 60.132 59.018 -0.075 0.000 1.786 623 C CB -1.504 26.107 27.740 -0.215 0.000 2.071 623 C HN 0.365 nan 8.230 nan 0.000 0.451 624 F N 0.400 120.440 119.950 0.150 0.000 2.661 624 F HA 0.000 4.645 4.527 0.196 0.000 0.298 624 F C 1.940 177.799 175.800 0.098 0.000 1.137 624 F CA 1.072 59.124 58.000 0.086 0.000 1.454 624 F CB -0.446 38.457 39.000 -0.161 0.000 1.103 624 F HN 0.249 nan 8.300 nan 0.000 0.577 625 D N -0.868 119.665 120.400 0.222 0.000 2.271 625 D HA -0.082 4.676 4.640 0.196 0.000 0.206 625 D C 2.407 178.797 176.300 0.151 0.000 0.967 625 D CA 1.250 55.340 54.000 0.150 0.000 0.867 625 D CB -0.278 40.574 40.800 0.088 0.000 0.960 625 D HN 0.206 nan 8.370 nan 0.000 0.509 626 S N -0.083 115.710 115.700 0.156 0.000 2.345 626 S HA -0.236 4.352 4.470 0.196 0.000 0.220 626 S C 2.201 176.918 174.600 0.196 0.000 1.031 626 S CA 0.697 58.979 58.200 0.137 0.000 0.996 626 S CB -0.983 62.285 63.200 0.114 0.000 0.882 626 S HN 0.311 nan 8.310 nan 0.000 0.445 627 Y N 2.704 123.099 120.300 0.158 0.000 2.081 627 Y HA -0.169 4.498 4.550 0.196 0.000 0.280 627 Y C 2.787 178.791 175.900 0.173 0.000 1.163 627 Y CA 2.317 60.558 58.100 0.234 0.000 1.135 627 Y CB -0.532 38.190 38.460 0.437 0.000 0.970 627 Y HN 0.341 nan 8.280 nan 0.000 0.498 628 E N 0.797 121.236 120.200 0.399 0.000 2.051 628 E HA -0.243 4.225 4.350 0.196 0.000 0.192 628 E C 2.369 179.004 176.600 0.060 0.000 0.991 628 E CA 1.504 58.022 56.400 0.196 0.000 0.799 628 E CB -0.325 29.454 29.700 0.132 0.000 0.748 628 E HN 0.525 nan 8.360 nan 0.000 0.449 629 R N 0.213 120.750 120.500 0.063 0.000 2.113 629 R HA -0.160 4.298 4.340 0.196 0.000 0.244 629 R C 2.514 178.799 176.300 -0.025 0.000 1.142 629 R CA 1.746 57.855 56.100 0.017 0.000 0.953 629 R CB -0.173 30.143 30.300 0.028 0.000 0.860 629 R HN 0.233 nan 8.270 nan 0.000 0.438 630 E N 0.049 120.227 120.200 -0.036 0.000 2.006 630 E HA -0.133 4.334 4.350 0.196 0.000 0.192 630 E C 2.130 178.653 176.600 -0.129 0.000 0.993 630 E CA 1.177 57.520 56.400 -0.094 0.000 0.808 630 E CB -0.187 29.466 29.700 -0.078 0.000 0.764 630 E HN 0.080 nan 8.360 nan 0.000 0.449 631 V N 1.411 121.236 119.914 -0.148 0.000 2.370 631 V HA -0.296 3.942 4.120 0.196 0.000 0.252 631 V C 2.478 178.525 176.094 -0.079 0.000 1.068 631 V CA 1.921 64.171 62.300 -0.084 0.000 1.061 631 V CB -0.566 31.230 31.823 -0.046 0.000 0.656 631 V HN 0.175 nan 8.190 nan 0.000 0.455 632 S N -0.957 114.697 115.700 -0.077 0.000 2.343 632 S HA -0.209 4.378 4.470 0.196 0.000 0.219 632 S C 2.104 176.636 174.600 -0.113 0.000 1.033 632 S CA 1.367 59.512 58.200 -0.092 0.000 1.014 632 S CB -0.319 62.846 63.200 -0.059 0.000 0.915 632 S HN 0.456 nan 8.310 nan 0.000 0.435 633 K N 1.126 121.465 120.400 -0.102 0.000 2.032 633 K HA -0.148 4.289 4.320 0.196 0.000 0.218 633 K C 2.252 178.773 176.600 -0.133 0.000 1.054 633 K CA 1.542 57.764 56.287 -0.110 0.000 0.941 633 K CB -0.472 31.955 32.500 -0.122 0.000 0.720 633 K HN 0.311 nan 8.250 nan 0.000 0.449 634 R N 0.185 120.585 120.500 -0.166 0.000 2.105 634 R HA -0.081 4.377 4.340 0.196 0.000 0.239 634 R C 2.481 178.710 176.300 -0.118 0.000 1.135 634 R CA 1.380 57.386 56.100 -0.157 0.000 0.967 634 R CB -0.351 29.832 30.300 -0.194 0.000 0.861 634 R HN 0.290 nan 8.270 nan 0.000 0.442 635 I N 0.982 121.415 120.570 -0.228 0.000 2.233 635 I HA -0.232 4.056 4.170 0.196 0.000 0.243 635 I C 1.806 177.794 176.117 -0.216 0.000 1.093 635 I CA 0.992 62.023 61.300 -0.447 0.000 1.380 635 I CB -0.472 37.071 38.000 -0.762 0.000 1.067 635 I HN 0.163 nan 8.210 nan 0.000 0.413 636 N N 0.881 119.494 118.700 -0.145 0.000 2.149 636 N HA -0.222 4.636 4.740 0.196 0.000 0.188 636 N C 1.550 177.037 175.510 -0.037 0.000 1.019 636 N CA 1.387 54.395 53.050 -0.070 0.000 0.857 636 N CB -0.479 37.977 38.487 -0.053 0.000 0.997 636 N HN 0.349 nan 8.380 nan 0.000 0.426 637 D N 1.024 121.391 120.400 -0.054 0.000 2.149 637 D HA -0.164 4.593 4.640 0.196 0.000 0.198 637 D C 1.366 177.664 176.300 -0.003 0.000 0.990 637 D CA 0.973 54.954 54.000 -0.031 0.000 0.839 637 D CB -0.082 40.680 40.800 -0.063 0.000 0.948 637 D HN 0.190 nan 8.370 nan 0.000 0.460 638 D N -0.390 120.006 120.400 -0.006 0.000 2.077 638 D HA -0.118 4.639 4.640 0.196 0.000 0.196 638 D C 2.267 178.606 176.300 0.064 0.000 0.986 638 D CA 0.643 54.664 54.000 0.036 0.000 0.829 638 D CB -0.096 40.773 40.800 0.115 0.000 0.983 638 D HN 0.026 nan 8.370 nan 0.000 0.453 639 I N 0.761 121.366 120.570 0.058 0.000 2.068 639 I HA -0.271 4.017 4.170 0.196 0.000 0.238 639 I C 2.635 178.813 176.117 0.102 0.000 1.046 639 I CA 0.918 62.234 61.300 0.027 0.000 1.306 639 I CB -1.443 36.572 38.000 0.026 0.000 1.023 639 I HN 0.044 nan 8.210 nan 0.000 0.399 640 V N 0.558 120.526 119.914 0.090 0.000 2.324 640 V HA -0.283 3.955 4.120 0.196 0.000 0.250 640 V C 2.654 178.824 176.094 0.126 0.000 1.060 640 V CA 2.137 64.501 62.300 0.107 0.000 1.042 640 V CB -0.802 31.058 31.823 0.063 0.000 0.650 640 V HN 0.381 nan 8.190 nan 0.000 0.450 641 S N -0.578 115.193 115.700 0.119 0.000 2.355 641 S HA -0.139 4.449 4.470 0.196 0.000 0.222 641 S C 2.069 176.781 174.600 0.187 0.000 1.031 641 S CA 1.282 59.569 58.200 0.146 0.000 0.993 641 S CB -0.279 63.028 63.200 0.179 0.000 0.859 641 S HN 0.560 nan 8.310 nan 0.000 0.453 642 R N 1.211 121.834 120.500 0.206 0.000 2.117 642 R HA -0.079 4.379 4.340 0.196 0.000 0.243 642 R C 2.346 178.859 176.300 0.354 0.000 1.143 642 R CA 1.203 57.454 56.100 0.251 0.000 0.968 642 R CB -0.217 30.170 30.300 0.146 0.000 0.863 642 R HN 0.314 nan 8.270 nan 0.000 0.444 643 K N 0.340 120.986 120.400 0.410 0.000 2.031 643 K HA -0.028 4.409 4.320 0.196 0.000 0.205 643 K C 2.154 178.827 176.600 0.120 0.000 1.049 643 K CA 1.400 57.866 56.287 0.299 0.000 0.939 643 K CB 0.135 32.812 32.500 0.295 0.000 0.717 643 K HN 0.023 nan 8.250 nan 0.000 0.438 644 S N 1.027 116.796 115.700 0.115 0.000 2.399 644 S HA -0.181 4.407 4.470 0.196 0.000 0.231 644 S C 1.665 176.301 174.600 0.059 0.000 1.022 644 S CA 1.168 59.409 58.200 0.068 0.000 0.983 644 S CB -0.186 63.053 63.200 0.064 0.000 0.803 644 S HN 0.376 nan 8.310 nan 0.000 0.480 645 E N 0.987 121.238 120.200 0.086 0.000 2.097 645 E HA -0.195 4.273 4.350 0.196 0.000 0.196 645 E C 1.810 178.438 176.600 0.047 0.000 1.000 645 E CA 1.207 57.648 56.400 0.067 0.000 0.804 645 E CB -0.132 29.629 29.700 0.101 0.000 0.740 645 E HN 0.473 nan 8.360 nan 0.000 0.454 646 L N 0.047 121.299 121.223 0.048 0.000 2.095 646 L HA -0.099 4.359 4.340 0.196 0.000 0.204 646 L C 2.163 179.031 176.870 -0.004 0.000 1.080 646 L CA 0.994 55.842 54.840 0.013 0.000 0.759 646 L CB -0.259 41.790 42.059 -0.016 0.000 0.914 646 L HN 0.068 nan 8.230 nan 0.000 0.439 647 D N 0.215 120.612 120.400 -0.005 0.000 2.097 647 D HA -0.171 4.587 4.640 0.196 0.000 0.195 647 D C 1.958 178.257 176.300 -0.001 0.000 0.989 647 D CA 1.000 54.994 54.000 -0.009 0.000 0.827 647 D CB -0.089 40.707 40.800 -0.007 0.000 0.966 647 D HN 0.190 nan 8.370 nan 0.000 0.456 648 N N 0.401 119.105 118.700 0.007 0.000 2.205 648 N HA -0.148 4.710 4.740 0.196 0.000 0.186 648 N C 1.906 177.419 175.510 0.004 0.000 1.015 648 N CA 0.338 53.392 53.050 0.006 0.000 0.862 648 N CB -0.355 38.137 38.487 0.009 0.000 0.986 648 N HN 0.276 nan 8.380 nan 0.000 0.429 649 L N 0.891 122.117 121.223 0.004 0.000 1.961 649 L HA -0.172 4.286 4.340 0.196 0.000 0.210 649 L C 2.051 178.922 176.870 0.001 0.000 1.072 649 L CA 1.327 56.169 54.840 0.004 0.000 0.749 649 L CB -0.437 41.625 42.059 0.005 0.000 0.889 649 L HN -0.051 nan 8.230 nan 0.000 0.432 650 V N 0.303 120.215 119.914 -0.003 0.000 2.252 650 V HA -0.345 3.893 4.120 0.196 0.000 0.249 650 V C 2.533 178.625 176.094 -0.004 0.000 1.056 650 V CA 1.933 64.230 62.300 -0.006 0.000 1.022 650 V CB -0.898 30.918 31.823 -0.012 0.000 0.641 650 V HN 0.466 nan 8.190 nan 0.000 0.445 651 K N -0.070 120.328 120.400 -0.003 0.000 2.293 651 K HA -0.213 4.224 4.320 0.196 0.000 0.204 651 K C 2.011 178.611 176.600 0.000 0.000 1.045 651 K CA 1.269 57.555 56.287 -0.001 0.000 0.933 651 K CB -0.316 32.184 32.500 -0.000 0.000 0.736 651 K HN 0.549 nan 8.250 nan 0.000 0.463 652 Q N 0.388 120.189 119.800 0.001 0.000 2.287 652 Q HA 0.084 4.542 4.340 0.196 0.000 0.201 652 Q C 1.910 177.911 176.000 0.003 0.000 0.946 652 Q CA 0.547 56.352 55.803 0.002 0.000 0.868 652 Q CB 0.011 28.752 28.738 0.004 0.000 0.967 652 Q HN 0.286 nan 8.270 nan 0.000 0.516 653 K N 0.945 121.347 120.400 0.003 0.000 2.286 653 K HA -0.173 4.265 4.320 0.196 0.000 0.203 653 K C 1.808 178.409 176.600 0.001 0.000 1.045 653 K CA 1.228 57.517 56.287 0.003 0.000 0.935 653 K CB 0.100 32.601 32.500 0.002 0.000 0.737 653 K HN 0.301 nan 8.250 nan 0.000 0.460 654 Q N -1.273 118.527 119.800 0.000 0.000 2.384 654 Q HA 0.048 4.506 4.340 0.196 0.000 0.207 654 Q C 1.179 177.179 176.000 -0.000 0.000 0.904 654 Q CA 0.620 56.422 55.803 -0.001 0.000 0.933 654 Q CB 0.896 29.633 28.738 -0.002 0.000 1.077 654 Q HN 0.152 nan 8.270 nan 0.000 0.522 655 T N -0.065 114.489 114.554 0.001 0.000 3.151 655 T HA 0.175 4.643 4.350 0.196 0.000 0.239 655 T C 0.823 175.524 174.700 0.002 0.000 0.979 655 T CA 0.119 62.220 62.100 0.001 0.000 1.194 655 T CB 0.422 69.290 68.868 0.001 0.000 0.982 655 T HN 0.012 nan 8.240 nan 0.000 0.428 656 R N 1.492 121.994 120.500 0.003 0.000 2.603 656 R HA 0.601 5.059 4.340 0.196 0.000 0.231 656 R C -0.453 175.849 176.300 0.004 0.000 1.263 656 R CA -0.609 55.493 56.100 0.004 0.000 1.102 656 R CB 0.510 30.812 30.300 0.004 0.000 1.527 656 R HN 0.389 nan 8.270 nan 0.000 0.554 657 E N 1.150 121.353 120.200 0.005 0.000 2.265 657 E HA 0.261 4.729 4.350 0.196 0.000 0.262 657 E C -0.661 175.944 176.600 0.008 0.000 0.889 657 E CA -0.820 55.584 56.400 0.006 0.000 0.789 657 E CB 1.293 30.996 29.700 0.005 0.000 1.221 657 E HN 0.421 nan 8.360 nan 0.000 0.414 658 I N 1.088 121.664 120.570 0.011 0.000 2.577 658 I HA 0.499 4.787 4.170 0.196 0.000 0.305 658 I C -0.863 175.265 176.117 0.018 0.000 0.986 658 I CA -0.929 60.379 61.300 0.014 0.000 1.189 658 I CB 1.347 39.357 38.000 0.017 0.000 1.355 658 I HN 0.675 nan 8.210 nan 0.000 0.476 659 N N 4.683 123.396 118.700 0.021 0.000 2.521 659 N HA 0.244 5.102 4.740 0.196 0.000 0.236 659 N C 0.851 176.382 175.510 0.036 0.000 1.067 659 N CA -0.148 52.916 53.050 0.023 0.000 0.939 659 N CB 0.350 38.850 38.487 0.021 0.000 1.201 659 N HN 0.577 nan 8.380 nan 0.000 0.511 660 R N 1.475 121.996 120.500 0.035 0.000 2.133 660 R HA -0.212 4.246 4.340 0.196 0.000 0.247 660 R C 0.748 177.098 176.300 0.084 0.000 1.151 660 R CA 1.574 57.706 56.100 0.054 0.000 0.971 660 R CB 0.164 30.488 30.300 0.040 0.000 0.866 660 R HN 0.571 nan 8.270 nan 0.000 0.447 661 E N -0.629 119.604 120.200 0.056 0.000 2.170 661 E HA -0.004 4.463 4.350 0.196 0.000 0.191 661 E C 1.803 178.475 176.600 0.120 0.000 0.981 661 E CA 0.846 57.285 56.400 0.064 0.000 0.830 661 E CB 0.179 29.877 29.700 -0.004 0.000 0.775 661 E HN 0.065 nan 8.360 nan 0.000 0.470 662 S N 0.174 115.923 115.700 0.081 0.000 2.383 662 S HA -0.140 4.447 4.470 0.196 0.000 0.227 662 S C 1.745 176.397 174.600 0.086 0.000 1.026 662 S CA 1.122 59.367 58.200 0.076 0.000 0.981 662 S CB -0.169 63.058 63.200 0.044 0.000 0.818 662 S HN 0.221 nan 8.310 nan 0.000 0.472 663 E N 1.031 121.282 120.200 0.085 0.000 2.077 663 E HA -0.123 4.345 4.350 0.196 0.000 0.193 663 E C 1.616 178.264 176.600 0.079 0.000 0.989 663 E CA 1.038 57.477 56.400 0.064 0.000 0.800 663 E CB -0.421 29.312 29.700 0.056 0.000 0.746 663 E HN 0.477 nan 8.360 nan 0.000 0.452 664 F N 1.192 121.140 119.950 -0.003 0.000 2.091 664 F HA -0.265 4.380 4.527 0.196 0.000 0.299 664 F C 1.828 177.626 175.800 -0.003 0.000 1.103 664 F CA 1.960 59.958 58.000 -0.002 0.000 1.228 664 F CB -0.379 38.620 39.000 -0.002 0.000 0.984 664 F HN 0.074 nan 8.300 nan 0.000 0.477 665 N N 0.481 119.333 118.700 0.254 0.000 2.106 665 N HA -0.195 4.663 4.740 0.196 0.000 0.188 665 N C 2.092 177.594 175.510 -0.014 0.000 1.029 665 N CA 1.418 54.547 53.050 0.132 0.000 0.848 665 N CB -0.679 37.897 38.487 0.149 0.000 1.007 665 N HN 0.361 nan 8.380 nan 0.000 0.423 666 R N 1.022 121.521 120.500 -0.002 0.000 2.096 666 R HA -0.071 4.387 4.340 0.196 0.000 0.240 666 R C 2.105 178.362 176.300 -0.072 0.000 1.139 666 R CA 1.182 57.266 56.100 -0.026 0.000 0.952 666 R CB -0.289 30.004 30.300 -0.010 0.000 0.854 666 R HN 0.191 nan 8.270 nan 0.000 0.436 667 L N 0.375 121.528 121.223 -0.117 0.000 2.179 667 L HA -0.088 4.370 4.340 0.196 0.000 0.208 667 L C 2.544 179.284 176.870 -0.217 0.000 1.096 667 L CA 0.954 55.701 54.840 -0.156 0.000 0.779 667 L CB -0.358 41.602 42.059 -0.164 0.000 0.922 667 L HN 0.146 nan 8.230 nan 0.000 0.443 668 K N 0.719 120.919 120.400 -0.333 0.000 2.057 668 K HA -0.159 4.279 4.320 0.196 0.000 0.207 668 K C 1.866 178.373 176.600 -0.155 0.000 1.049 668 K CA 1.377 57.465 56.287 -0.331 0.000 0.931 668 K CB -0.221 32.019 32.500 -0.432 0.000 0.714 668 K HN 0.100 nan 8.250 nan 0.000 0.440 669 N N 0.856 119.492 118.700 -0.108 0.000 2.043 669 N HA -0.180 4.678 4.740 0.196 0.000 0.193 669 N C 1.714 177.188 175.510 -0.059 0.000 1.037 669 N CA 1.374 54.389 53.050 -0.058 0.000 0.851 669 N CB -0.434 38.032 38.487 -0.036 0.000 1.027 669 N HN 0.229 nan 8.380 nan 0.000 0.422 670 L N 1.436 122.618 121.223 -0.068 0.000 1.978 670 L HA -0.299 4.158 4.340 0.196 0.000 0.218 670 L C 2.529 179.362 176.870 -0.060 0.000 1.075 670 L CA 1.810 56.614 54.840 -0.060 0.000 0.767 670 L CB -0.493 41.524 42.059 -0.070 0.000 0.890 670 L HN 0.375 nan 8.230 nan 0.000 0.434 671 Q N -0.038 119.715 119.800 -0.078 0.000 2.045 671 Q HA -0.303 4.154 4.340 0.196 0.000 0.206 671 Q C 1.882 177.853 176.000 -0.049 0.000 0.991 671 Q CA 2.565 58.327 55.803 -0.069 0.000 0.851 671 Q CB -0.144 28.540 28.738 -0.089 0.000 0.911 671 Q HN 0.664 nan 8.270 nan 0.000 0.418 672 E N 0.351 120.522 120.200 -0.047 0.000 2.031 672 E HA -0.195 4.273 4.350 0.196 0.000 0.193 672 E C 1.857 178.442 176.600 -0.025 0.000 0.994 672 E CA 1.414 57.795 56.400 -0.031 0.000 0.800 672 E CB -0.096 29.589 29.700 -0.025 0.000 0.752 672 E HN 0.415 nan 8.360 nan 0.000 0.447 673 D N 0.378 120.762 120.400 -0.026 0.000 2.133 673 D HA -0.159 4.599 4.640 0.196 0.000 0.195 673 D C 2.051 178.338 176.300 -0.021 0.000 0.997 673 D CA 0.899 54.886 54.000 -0.021 0.000 0.840 673 D CB -0.415 40.372 40.800 -0.022 0.000 0.947 673 D HN 0.014 nan 8.370 nan 0.000 0.452 674 V N 1.010 120.909 119.914 -0.025 0.000 2.244 674 V HA -0.207 4.031 4.120 0.196 0.000 0.244 674 V C 2.543 178.625 176.094 -0.019 0.000 1.042 674 V CA 1.152 63.439 62.300 -0.022 0.000 1.006 674 V CB -0.424 31.384 31.823 -0.025 0.000 0.641 674 V HN 0.194 nan 8.190 nan 0.000 0.446 675 I N 0.564 121.121 120.570 -0.021 0.000 2.185 675 I HA -0.333 3.955 4.170 0.196 0.000 0.246 675 I C 2.692 178.799 176.117 -0.015 0.000 1.088 675 I CA 1.658 62.948 61.300 -0.018 0.000 1.347 675 I CB -0.725 37.265 38.000 -0.018 0.000 1.041 675 I HN 0.334 nan 8.210 nan 0.000 0.415 676 A N 0.083 122.894 122.820 -0.015 0.000 1.892 676 A HA -0.317 4.121 4.320 0.196 0.000 0.218 676 A C 2.240 179.816 177.584 -0.012 0.000 1.188 676 A CA 2.036 54.066 52.037 -0.012 0.000 0.631 676 A CB -0.657 18.336 19.000 -0.012 0.000 0.822 676 A HN 0.368 nan 8.150 nan 0.000 0.447 677 Q N -0.776 119.016 119.800 -0.014 0.000 2.084 677 Q HA -0.085 4.373 4.340 0.196 0.000 0.202 677 Q C 2.036 178.027 176.000 -0.015 0.000 0.978 677 Q CA 1.182 56.977 55.803 -0.014 0.000 0.844 677 Q CB -0.418 28.312 28.738 -0.014 0.000 0.898 677 Q HN 0.619 nan 8.270 nan 0.000 0.426 678 L N 0.385 121.598 121.223 -0.017 0.000 2.042 678 L HA -0.270 4.188 4.340 0.196 0.000 0.210 678 L C 1.704 178.562 176.870 -0.019 0.000 1.076 678 L CA 2.002 56.829 54.840 -0.022 0.000 0.749 678 L CB -0.750 41.295 42.059 -0.023 0.000 0.893 678 L HN 0.401 nan 8.230 nan 0.000 0.432 679 Q N -0.113 119.679 119.800 -0.014 0.000 2.096 679 Q HA -0.238 4.220 4.340 0.196 0.000 0.204 679 Q C 2.117 178.114 176.000 -0.004 0.000 0.982 679 Q CA 1.838 57.636 55.803 -0.008 0.000 0.850 679 Q CB -0.162 28.572 28.738 -0.007 0.000 0.901 679 Q HN 0.556 nan 8.270 nan 0.000 0.422 680 K N 0.540 120.936 120.400 -0.007 0.000 2.063 680 K HA -0.145 4.293 4.320 0.196 0.000 0.208 680 K C 2.071 178.669 176.600 -0.003 0.000 1.048 680 K CA 1.245 57.528 56.287 -0.007 0.000 0.928 680 K CB -0.178 32.316 32.500 -0.010 0.000 0.713 680 K HN 0.238 nan 8.250 nan 0.000 0.442 681 I N 1.390 121.957 120.570 -0.005 0.000 2.163 681 I HA -0.227 4.061 4.170 0.196 0.000 0.240 681 I C 2.236 178.366 176.117 0.020 0.000 1.081 681 I CA 1.217 62.516 61.300 -0.002 0.000 1.353 681 I CB -0.336 37.652 38.000 -0.022 0.000 1.054 681 I HN 0.182 nan 8.210 nan 0.000 0.407 682 E N 1.152 121.357 120.200 0.007 0.000 2.171 682 E HA -0.252 4.216 4.350 0.196 0.000 0.197 682 E C 2.223 178.866 176.600 0.073 0.000 0.997 682 E CA 1.431 57.848 56.400 0.028 0.000 0.810 682 E CB -0.161 29.541 29.700 0.003 0.000 0.738 682 E HN 0.554 nan 8.360 nan 0.000 0.467 683 A N 1.815 124.658 122.820 0.038 0.000 1.832 683 A HA 0.001 4.439 4.320 0.196 0.000 0.214 683 A C 2.521 180.115 177.584 0.016 0.000 1.204 683 A CA 1.551 53.602 52.037 0.024 0.000 0.606 683 A CB -0.853 18.150 19.000 0.005 0.000 0.849 683 A HN 0.269 nan 8.150 nan 0.000 0.445 684 A N -1.267 121.559 122.820 0.010 0.000 1.940 684 A HA -0.279 4.159 4.320 0.196 0.000 0.221 684 A C 2.167 179.739 177.584 -0.020 0.000 1.190 684 A CA 2.276 54.304 52.037 -0.014 0.000 0.647 684 A CB -1.046 17.951 19.000 -0.005 0.000 0.821 684 A HN 0.845 nan 8.150 nan 0.000 0.457 685 Y N 0.869 121.122 120.300 -0.080 0.000 2.109 685 Y HA -0.169 4.499 4.550 0.196 0.000 0.285 685 Y C 2.870 178.713 175.900 -0.094 0.000 1.131 685 Y CA 1.908 59.956 58.100 -0.086 0.000 1.121 685 Y CB -0.625 37.793 38.460 -0.070 0.000 0.987 685 Y HN 0.295 nan 8.280 nan 0.000 0.495 686 S N 0.544 116.226 115.700 -0.031 0.000 2.370 686 S HA -0.246 4.341 4.470 0.196 0.000 0.226 686 S C 1.704 176.199 174.600 -0.175 0.000 1.033 686 S CA 1.739 59.876 58.200 -0.105 0.000 1.011 686 S CB -0.676 62.533 63.200 0.015 0.000 0.852 686 S HN 0.608 nan 8.310 nan 0.000 0.457 687 N N 1.277 119.898 118.700 -0.131 0.000 2.039 687 N HA -0.049 4.809 4.740 0.196 0.000 0.193 687 N C 1.867 177.248 175.510 -0.215 0.000 1.044 687 N CA 1.051 54.026 53.050 -0.125 0.000 0.847 687 N CB -0.312 38.125 38.487 -0.084 0.000 1.030 687 N HN 0.175 nan 8.380 nan 0.000 0.422 688 L N 1.660 122.700 121.223 -0.305 0.000 2.051 688 L HA -0.198 4.260 4.340 0.196 0.000 0.214 688 L C 1.930 178.372 176.870 -0.714 0.000 1.076 688 L CA 1.585 56.130 54.840 -0.492 0.000 0.758 688 L CB -0.574 41.208 42.059 -0.462 0.000 0.890 688 L HN 0.338 nan 8.230 nan 0.000 0.433 689 L N -0.316 120.560 121.223 -0.578 0.000 2.005 689 L HA -0.179 4.278 4.340 0.196 0.000 0.207 689 L C 2.869 179.558 176.870 -0.302 0.000 1.072 689 L CA 1.305 55.866 54.840 -0.465 0.000 0.744 689 L CB -0.660 41.137 42.059 -0.436 0.000 0.895 689 L HN 0.330 nan 8.230 nan 0.000 0.433 690 A N -0.741 121.923 122.820 -0.260 0.000 1.940 690 A HA -0.320 4.117 4.320 0.196 0.000 0.219 690 A C 2.162 179.529 177.584 -0.362 0.000 1.176 690 A CA 1.775 53.653 52.037 -0.266 0.000 0.631 690 A CB -1.034 17.878 19.000 -0.147 0.000 0.814 690 A HN 0.541 nan 8.150 nan 0.000 0.446 691 Y N -0.664 119.435 120.300 -0.335 0.000 2.151 691 Y HA -0.322 4.346 4.550 0.196 0.000 0.284 691 Y C 2.127 177.957 175.900 -0.117 0.000 1.166 691 Y CA 2.053 60.002 58.100 -0.252 0.000 1.163 691 Y CB -0.487 37.774 38.460 -0.332 0.000 0.974 691 Y HN 0.472 nan 8.280 nan 0.000 0.511 692 Y N -0.958 119.275 120.300 -0.111 0.000 2.352 692 Y HA -0.227 4.441 4.550 0.196 0.000 0.292 692 Y C 2.622 178.428 175.900 -0.156 0.000 1.136 692 Y CA 0.368 58.410 58.100 -0.097 0.000 1.227 692 Y CB -0.213 38.228 38.460 -0.031 0.000 0.991 692 Y HN 0.095 nan 8.280 nan 0.000 0.545 693 S N -0.879 114.735 115.700 -0.144 0.000 2.419 693 S HA -0.170 4.417 4.470 0.196 0.000 0.235 693 S C 0.815 175.341 174.600 -0.124 0.000 1.019 693 S CA 1.082 59.156 58.200 -0.211 0.000 0.982 693 S CB -0.276 62.687 63.200 -0.395 0.000 0.789 693 S HN 0.520 nan 8.310 nan 0.000 0.490 694 H N -0.003 119.097 119.070 0.051 0.000 2.505 694 H HA 0.440 5.113 4.556 0.196 0.000 0.286 694 H C -0.109 175.096 175.328 -0.205 0.000 1.072 694 H CA -0.060 55.966 56.048 -0.035 0.000 1.141 694 H CB -0.056 29.676 29.762 -0.049 0.000 1.550 694 H HN 0.395 nan 8.280 nan 0.000 0.547 695 H N 0.000 118.997 119.070 -0.121 0.000 2.539 695 H HA 0.000 4.674 4.556 0.196 0.000 0.296 695 H CA 0.000 55.981 56.048 -0.112 0.000 1.023 695 H CB 0.000 29.637 29.762 -0.208 0.000 1.292 695 H HN 0.000 nan 8.280 nan 0.000 0.496