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 2nzt_1_A DATA FIRST_RESID 17 DATA SEQUENCE DQVQKVDQYL YHMRLSDETL LEISKRFRKE MEKGLGATTH PTAAVKMLPT DATA SEQUENCE FVRSTPDGTE HGEFLALDLG GTNFRVLWVK VXXXXXXXVE MENQIYAIPE DATA SEQUENCE DIMRGSGTQL FDHIAECLAN FMDKLQIKDK KLPLGFTFSF PCHQTKLDES DATA SEQUENCE FLVSWTKGFK SSGVEGRDVV ALIRKAIQRR GDFDIDIVAV VNDTVGTMMT DATA SEQUENCE CGYDDHNCEI GLIVGTGSNA CYMEEMRHID MVEGDEGRMC INMEWGAFGD DATA SEQUENCE DGSLNDIRTE FDQEIDMGSL NPGKQLFEKM ISGMYMGELV RLILVKMAKE DATA SEQUENCE ELLFGGKLSP ELLNTGRFET KDISDIEGEK DGIRKAREVL MRLGLDPTQE DATA SEQUENCE DCVATHRICQ IVSTRSASLC AATLAAVLQR IKENKGEERL RSTIGVDGSV DATA SEQUENCE YKKHPHFAKR LHKTVRRLVP GCDVRFLRSE DGSGKGAAMV TAVAYRLADQ DATA SEQUENCE HRARQKTLEH LQLSHDQLLE VKRRMKVEME RGLSKETHAS APVKMLPTYV DATA SEQUENCE CXXXXXXXXG DFLALDLGGT NFRVLLVRVR XXXXXGVEMH NKIYAIPQEV DATA SEQUENCE MHGTGDELFD HIVQCIADFL EYMGMXXXSL PLGFTFSFPC QQNSLDESIL DATA SEQUENCE LKWTKGFKAS GCEGEDVVTL LKEAIHRRXX XDLDVVAVVN DTVGTMMTCG DATA SEQUENCE FEDPHCEVGL IVGTGSNACY MEEMRNVELV EGEEGRMCVN MEWGAFGDNG DATA SEQUENCE CLDDFRTEFD VAVDELSLNP GKQRFEKMIS GMYLGEIVRN ILIDFTKRGL DATA SEQUENCE LFRGRISERL KTRGIFETKF LSQIESDCLA LLQVRAILQH LGLESTCDDS DATA SEQUENCE IIVKEVCTVV ARRAAQLCGA GMAAVVDRIR ENRGLDALKV TVGVDGTLYK DATA SEQUENCE LHPHFAKVMH ETVKDLAPKC DVSFLQSEDG SGKGAALITA VACRIRE 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 17 D HA 0.000 nan 4.640 nan 0.000 0.175 17 D C 0.000 176.292 176.300 -0.013 0.000 2.045 17 D CA 0.000 53.994 54.000 -0.009 0.000 0.868 17 D CB 0.000 40.793 40.800 -0.011 0.000 0.688 18 Q N 1.130 120.921 119.800 -0.016 0.000 2.046 18 Q HA 0.059 4.350 4.340 -0.082 0.000 0.200 18 Q C 2.571 178.564 176.000 -0.011 0.000 0.975 18 Q CA 1.350 57.139 55.803 -0.024 0.000 0.836 18 Q CB -0.194 28.528 28.738 -0.027 0.000 0.896 18 Q HN 0.339 nan 8.270 nan 0.000 0.428 19 V N 2.416 122.331 119.914 0.003 0.000 2.250 19 V HA -0.317 3.754 4.120 -0.082 0.000 0.250 19 V C 2.450 178.553 176.094 0.016 0.000 1.060 19 V CA 2.488 64.798 62.300 0.016 0.000 1.030 19 V CB -0.856 30.980 31.823 0.021 0.000 0.643 19 V HN 0.563 nan 8.190 nan 0.000 0.445 20 Q N 1.046 120.853 119.800 0.011 0.000 2.482 20 Q HA -0.178 4.113 4.340 -0.082 0.000 0.209 20 Q C 1.914 177.927 176.000 0.022 0.000 0.961 20 Q CA 1.520 57.333 55.803 0.017 0.000 0.945 20 Q CB -0.251 28.493 28.738 0.010 0.000 1.012 20 Q HN 0.829 nan 8.270 nan 0.000 0.515 21 K N -0.070 120.339 120.400 0.014 0.000 2.276 21 K HA 0.079 4.349 4.320 -0.082 0.000 0.198 21 K C 1.743 178.374 176.600 0.052 0.000 1.052 21 K CA 0.519 56.818 56.287 0.021 0.000 0.984 21 K CB 0.020 32.514 32.500 -0.010 0.000 0.836 21 K HN 0.005 nan 8.250 nan 0.000 0.490 22 V N 3.023 122.956 119.914 0.032 0.000 2.287 22 V HA -0.265 3.806 4.120 -0.082 0.000 0.248 22 V C 1.472 177.638 176.094 0.120 0.000 1.053 22 V CA 2.349 64.689 62.300 0.067 0.000 1.027 22 V CB -0.643 31.191 31.823 0.019 0.000 0.646 22 V HN 0.380 nan 8.190 nan 0.000 0.447 23 D N -0.359 120.089 120.400 0.079 0.000 2.190 23 D HA -0.206 4.385 4.640 -0.082 0.000 0.200 23 D C 2.293 178.672 176.300 0.133 0.000 0.992 23 D CA 1.271 55.322 54.000 0.085 0.000 0.854 23 D CB -0.217 40.619 40.800 0.059 0.000 0.936 23 D HN 0.576 nan 8.370 nan 0.000 0.462 24 Q N -1.435 118.441 119.800 0.127 0.000 2.250 24 Q HA -0.055 4.236 4.340 -0.082 0.000 0.200 24 Q C 1.654 177.751 176.000 0.162 0.000 0.941 24 Q CA 0.330 56.201 55.803 0.113 0.000 0.872 24 Q CB 0.022 28.797 28.738 0.061 0.000 0.965 24 Q HN 0.338 nan 8.270 nan 0.000 0.480 25 Y N 0.935 121.268 120.300 0.055 0.000 2.163 25 Y HA -0.058 4.443 4.550 -0.082 0.000 0.288 25 Y C 1.030 177.006 175.900 0.127 0.000 1.136 25 Y CA 1.109 59.255 58.100 0.076 0.000 1.147 25 Y CB 0.296 38.785 38.460 0.049 0.000 0.987 25 Y HN -0.041 nan 8.280 nan 0.000 0.509 26 L N 0.559 121.888 121.223 0.177 0.000 3.036 26 L HA 0.053 4.344 4.340 -0.082 0.000 0.237 26 L C 0.909 177.832 176.870 0.088 0.000 1.319 26 L CA -0.175 54.723 54.840 0.097 0.000 1.112 26 L CB -0.664 41.437 42.059 0.069 0.000 1.480 26 L HN 0.279 nan 8.230 nan 0.000 0.506 27 Y N 0.250 120.524 120.300 -0.042 0.000 2.274 27 Y HA -0.239 4.262 4.550 -0.082 0.000 0.290 27 Y C 2.041 177.848 175.900 -0.155 0.000 1.145 27 Y CA 1.778 59.801 58.100 -0.128 0.000 1.203 27 Y CB -0.093 38.230 38.460 -0.229 0.000 0.984 27 Y HN 0.377 nan 8.280 nan 0.000 0.533 28 H N -1.050 117.992 119.070 -0.047 0.000 2.547 28 H HA 0.148 4.655 4.556 -0.082 0.000 0.266 28 H C 1.269 176.529 175.328 -0.114 0.000 0.988 28 H CA 0.686 56.662 56.048 -0.119 0.000 1.147 28 H CB 0.024 29.792 29.762 0.009 0.000 1.365 28 H HN 0.357 nan 8.280 nan 0.000 0.589 29 M N 0.056 119.655 119.600 -0.002 0.000 2.383 29 M HA 0.169 4.600 4.480 -0.082 0.000 0.247 29 M C -0.204 176.042 176.300 -0.090 0.000 1.117 29 M CA 0.372 55.651 55.300 -0.035 0.000 0.995 29 M CB 0.697 33.284 32.600 -0.022 0.000 1.480 29 M HN 0.014 nan 8.290 nan 0.000 0.485 30 R N 1.466 121.873 120.500 -0.155 0.000 2.320 30 R HA 0.591 4.882 4.340 -0.082 0.000 0.319 30 R C -1.255 174.910 176.300 -0.225 0.000 0.969 30 R CA -0.270 55.727 56.100 -0.172 0.000 0.857 30 R CB 1.533 31.737 30.300 -0.160 0.000 1.160 30 R HN 0.202 nan 8.270 nan 0.000 0.491 31 L N 2.658 123.788 121.223 -0.155 0.000 2.287 31 L HA 0.367 4.658 4.340 -0.082 0.000 0.287 31 L C 0.524 177.328 176.870 -0.109 0.000 1.022 31 L CA -0.680 54.079 54.840 -0.136 0.000 0.814 31 L CB 1.853 43.855 42.059 -0.096 0.000 1.217 31 L HN 0.638 nan 8.230 nan 0.000 0.420 32 S N 0.126 115.763 115.700 -0.105 0.000 2.584 32 S HA 0.076 4.497 4.470 -0.082 0.000 0.270 32 S C 0.583 175.155 174.600 -0.047 0.000 1.346 32 S CA -0.750 57.408 58.200 -0.070 0.000 1.018 32 S CB 1.103 64.270 63.200 -0.055 0.000 0.899 32 S HN 0.581 nan 8.310 nan 0.000 0.542 33 D N 0.786 121.166 120.400 -0.034 0.000 2.158 33 D HA -0.154 4.437 4.640 -0.082 0.000 0.197 33 D C 1.711 178.003 176.300 -0.013 0.000 0.995 33 D CA 1.686 55.673 54.000 -0.021 0.000 0.846 33 D CB -0.315 40.477 40.800 -0.014 0.000 0.941 33 D HN 0.862 nan 8.370 nan 0.000 0.456 34 E N -0.210 119.983 120.200 -0.012 0.000 2.051 34 E HA -0.174 4.127 4.350 -0.082 0.000 0.192 34 E C 1.875 178.474 176.600 -0.002 0.000 0.991 34 E CA 1.886 58.284 56.400 -0.004 0.000 0.799 34 E CB 0.094 29.793 29.700 -0.001 0.000 0.748 34 E HN 0.415 nan 8.360 nan 0.000 0.449 35 T N -0.946 113.601 114.554 -0.011 0.000 2.942 35 T HA -0.031 4.270 4.350 -0.082 0.000 0.265 35 T C 2.075 176.774 174.700 -0.001 0.000 1.062 35 T CA 0.516 62.612 62.100 -0.007 0.000 1.139 35 T CB -0.295 68.560 68.868 -0.021 0.000 0.883 35 T HN 0.102 nan 8.240 nan 0.000 0.468 36 L N 0.253 121.470 121.223 -0.010 0.000 2.017 36 L HA 0.047 4.338 4.340 -0.082 0.000 0.208 36 L C 2.770 179.648 176.870 0.012 0.000 1.073 36 L CA 1.247 56.086 54.840 -0.003 0.000 0.745 36 L CB -0.585 41.464 42.059 -0.017 0.000 0.894 36 L HN 0.255 nan 8.230 nan 0.000 0.432 37 L N -0.385 120.844 121.223 0.010 0.000 2.131 37 L HA -0.210 4.081 4.340 -0.082 0.000 0.210 37 L C 2.578 179.463 176.870 0.025 0.000 1.092 37 L CA 0.837 55.687 54.840 0.016 0.000 0.759 37 L CB -0.320 41.746 42.059 0.011 0.000 0.903 37 L HN 0.281 nan 8.230 nan 0.000 0.435 38 E N 1.059 121.274 120.200 0.026 0.000 2.047 38 E HA -0.198 4.103 4.350 -0.082 0.000 0.191 38 E C 2.068 178.705 176.600 0.061 0.000 0.987 38 E CA 1.395 57.816 56.400 0.035 0.000 0.799 38 E CB -0.222 29.494 29.700 0.027 0.000 0.752 38 E HN 0.382 nan 8.360 nan 0.000 0.449 39 I N 0.828 121.440 120.570 0.070 0.000 2.194 39 I HA -0.333 3.788 4.170 -0.082 0.000 0.246 39 I C 2.477 178.688 176.117 0.157 0.000 1.093 39 I CA 1.697 63.074 61.300 0.129 0.000 1.355 39 I CB -0.463 37.601 38.000 0.107 0.000 1.046 39 I HN 0.243 nan 8.210 nan 0.000 0.413 40 S N 0.289 116.040 115.700 0.084 0.000 2.428 40 S HA -0.128 4.293 4.470 -0.082 0.000 0.230 40 S C 2.155 176.798 174.600 0.071 0.000 1.014 40 S CA 0.872 59.114 58.200 0.070 0.000 0.957 40 S CB -0.186 63.034 63.200 0.034 0.000 0.784 40 S HN 0.238 nan 8.310 nan 0.000 0.499 41 K N 1.251 121.683 120.400 0.052 0.000 2.097 41 K HA 0.128 4.399 4.320 -0.082 0.000 0.206 41 K C 2.429 179.045 176.600 0.027 0.000 1.049 41 K CA 1.380 57.684 56.287 0.028 0.000 0.933 41 K CB -0.614 31.899 32.500 0.022 0.000 0.717 41 K HN 0.635 nan 8.250 nan 0.000 0.442 42 R N -0.913 119.634 120.500 0.079 0.000 2.075 42 R HA 0.009 4.300 4.340 -0.082 0.000 0.232 42 R C 2.242 178.549 176.300 0.013 0.000 1.126 42 R CA 1.687 57.847 56.100 0.100 0.000 0.963 42 R CB -0.448 29.993 30.300 0.235 0.000 0.858 42 R HN 0.329 nan 8.270 nan 0.000 0.435 43 F N 2.015 121.833 119.950 -0.220 0.000 2.102 43 F HA -0.186 4.292 4.527 -0.083 0.000 0.298 43 F C 2.514 178.103 175.800 -0.352 0.000 1.105 43 F CA 1.479 59.122 58.000 -0.596 0.000 1.239 43 F CB -0.223 38.371 39.000 -0.676 0.000 0.991 43 F HN -0.214 nan 8.300 nan 0.000 0.474 44 R N 1.192 121.549 120.500 -0.238 0.000 2.113 44 R HA -0.182 4.109 4.340 -0.082 0.000 0.244 44 R C 2.271 178.411 176.300 -0.266 0.000 1.142 44 R CA 2.254 58.202 56.100 -0.254 0.000 0.953 44 R CB -1.033 29.201 30.300 -0.110 0.000 0.860 44 R HN 0.126 nan 8.270 nan 0.000 0.438 45 K N 0.480 120.766 120.400 -0.190 0.000 2.147 45 K HA -0.035 4.236 4.320 -0.082 0.000 0.205 45 K C 2.020 178.502 176.600 -0.197 0.000 1.049 45 K CA 1.528 57.726 56.287 -0.147 0.000 0.936 45 K CB -0.293 32.161 32.500 -0.076 0.000 0.722 45 K HN 0.457 nan 8.250 nan 0.000 0.446 46 E N -0.021 119.992 120.200 -0.311 0.000 2.152 46 E HA 0.023 4.324 4.350 -0.082 0.000 0.192 46 E C 2.061 178.419 176.600 -0.404 0.000 0.983 46 E CA 0.992 57.186 56.400 -0.344 0.000 0.818 46 E CB -0.222 29.215 29.700 -0.439 0.000 0.758 46 E HN 0.469 nan 8.360 nan 0.000 0.467 47 M N 0.557 119.808 119.600 -0.581 0.000 2.080 47 M HA -0.191 4.240 4.480 -0.082 0.000 0.260 47 M C 2.129 178.315 176.300 -0.189 0.000 1.068 47 M CA 1.624 56.682 55.300 -0.403 0.000 1.109 47 M CB -0.396 31.947 32.600 -0.429 0.000 1.342 47 M HN 0.045 nan 8.290 nan 0.000 0.405 48 E N 0.270 120.364 120.200 -0.178 0.000 2.051 48 E HA -0.222 4.079 4.350 -0.082 0.000 0.192 48 E C 1.997 178.558 176.600 -0.065 0.000 0.991 48 E CA 1.217 57.553 56.400 -0.107 0.000 0.799 48 E CB -0.144 29.491 29.700 -0.108 0.000 0.748 48 E HN 0.368 nan 8.360 nan 0.000 0.449 49 K N 0.406 120.760 120.400 -0.077 0.000 2.074 49 K HA -0.170 4.101 4.320 -0.082 0.000 0.209 49 K C 2.087 178.684 176.600 -0.006 0.000 1.048 49 K CA 1.663 57.925 56.287 -0.042 0.000 0.926 49 K CB -0.279 32.186 32.500 -0.057 0.000 0.713 49 K HN 0.176 nan 8.250 nan 0.000 0.444 50 G N 0.468 109.257 108.800 -0.018 0.000 2.421 50 G HA2 -0.134 3.777 3.960 -0.082 0.000 0.217 50 G HA3 -0.134 3.777 3.960 -0.082 0.000 0.217 50 G C 1.368 176.372 174.900 0.173 0.000 1.143 50 G CA 0.461 45.599 45.100 0.064 0.000 0.784 50 G HN 0.230 nan 8.290 nan 0.000 0.541 51 L N 0.709 121.974 121.223 0.070 0.000 2.341 51 L HA 0.227 4.518 4.340 -0.082 0.000 0.214 51 L C 1.964 178.853 176.870 0.032 0.000 1.115 51 L CA -0.082 54.785 54.840 0.046 0.000 0.820 51 L CB -0.318 41.755 42.059 0.024 0.000 0.944 51 L HN 0.196 nan 8.230 nan 0.000 0.452 52 G N -0.700 108.124 108.800 0.041 0.000 2.398 52 G HA2 0.267 4.178 3.960 -0.082 0.000 0.246 52 G HA3 0.267 4.178 3.960 -0.082 0.000 0.246 52 G C 1.035 175.961 174.900 0.043 0.000 1.289 52 G CA 0.284 45.404 45.100 0.033 0.000 0.869 52 G HN 0.245 nan 8.290 nan 0.000 0.543 53 A N 1.951 124.780 122.820 0.016 0.000 1.908 53 A HA -0.107 4.164 4.320 -0.082 0.000 0.218 53 A C 2.565 180.173 177.584 0.040 0.000 1.181 53 A CA 2.713 54.754 52.037 0.006 0.000 0.627 53 A CB -0.721 18.276 19.000 -0.005 0.000 0.818 53 A HN 1.015 nan 8.150 nan 0.000 0.445 54 T N -3.679 110.897 114.554 0.036 0.000 3.044 54 T HA -0.043 4.258 4.350 -0.082 0.000 0.255 54 T C 1.726 176.451 174.700 0.041 0.000 1.073 54 T CA 1.687 63.807 62.100 0.033 0.000 1.125 54 T CB -0.698 68.181 68.868 0.018 0.000 0.908 54 T HN 0.557 nan 8.240 nan 0.000 0.480 55 T N -0.958 113.624 114.554 0.046 0.000 3.054 55 T HA 0.060 4.361 4.350 -0.082 0.000 0.259 55 T C 1.717 176.450 174.700 0.054 0.000 1.092 55 T CA 0.948 63.069 62.100 0.036 0.000 1.121 55 T CB -0.747 68.132 68.868 0.019 0.000 0.912 55 T HN 0.592 nan 8.240 nan 0.000 0.489 56 H N 3.931 122.995 119.070 -0.010 0.000 2.325 56 H HA -0.059 4.447 4.556 -0.082 0.000 0.293 56 H C -0.636 174.691 175.328 -0.003 0.000 1.106 56 H CA 2.578 58.622 56.048 -0.007 0.000 1.247 56 H CB -1.134 28.626 29.762 -0.003 0.000 1.359 56 H HN 0.322 nan 8.280 nan 0.000 0.488 57 P HA -0.126 nan 4.420 nan 0.000 0.221 57 P C 1.039 178.275 177.300 -0.106 0.000 1.145 57 P CA 2.173 65.215 63.100 -0.096 0.000 0.795 57 P CB -0.180 31.528 31.700 0.013 0.000 0.775 58 T N -4.074 110.436 114.554 -0.073 0.000 3.086 58 T HA 0.433 4.734 4.350 -0.082 0.000 0.250 58 T C 0.920 175.585 174.700 -0.058 0.000 1.074 58 T CA -0.269 61.801 62.100 -0.050 0.000 0.988 58 T CB -0.333 68.522 68.868 -0.022 0.000 0.988 58 T HN 0.055 nan 8.240 nan 0.000 0.530 59 A N 0.804 123.561 122.820 -0.104 0.000 2.362 59 A HA 0.818 5.089 4.320 -0.082 0.000 0.276 59 A C 1.657 179.204 177.584 -0.062 0.000 1.153 59 A CA -0.114 51.872 52.037 -0.085 0.000 0.813 59 A CB 0.254 19.188 19.000 -0.110 0.000 1.081 59 A HN 0.447 nan 8.150 nan 0.000 0.507 60 A N 2.817 125.636 122.820 -0.002 0.000 1.897 60 A HA 0.180 4.451 4.320 -0.082 0.000 0.215 60 A C 0.919 178.549 177.584 0.075 0.000 1.181 60 A CA 1.272 53.341 52.037 0.053 0.000 0.620 60 A CB -0.427 18.639 19.000 0.109 0.000 0.821 60 A HN 0.843 nan 8.150 nan 0.000 0.443 61 V N 1.199 121.144 119.914 0.052 0.000 2.389 61 V HA 0.127 4.198 4.120 -0.082 0.000 0.264 61 V C 0.796 176.902 176.094 0.020 0.000 1.049 61 V CA -0.070 62.266 62.300 0.060 0.000 0.932 61 V CB 0.909 32.701 31.823 -0.051 0.000 1.011 61 V HN 0.468 nan 8.190 nan 0.000 0.475 62 K N 3.651 124.088 120.400 0.062 0.000 2.361 62 K HA 0.214 4.485 4.320 -0.082 0.000 0.196 62 K C 0.427 177.124 176.600 0.162 0.000 1.039 62 K CA 0.137 56.458 56.287 0.056 0.000 1.001 62 K CB 0.053 32.597 32.500 0.074 0.000 0.795 62 K HN 0.605 nan 8.250 nan 0.000 0.495 63 M N 1.183 120.861 119.600 0.130 0.000 2.516 63 M HA -0.205 4.226 4.480 -0.082 0.000 0.183 63 M C -0.946 175.420 176.300 0.109 0.000 0.928 63 M CA 0.888 56.258 55.300 0.117 0.000 0.573 63 M CB -2.211 30.448 32.600 0.098 0.000 1.126 63 M HN 0.120 nan 8.290 nan 0.000 0.859 64 L N 2.204 123.489 121.223 0.104 0.000 2.313 64 L HA 0.335 4.626 4.340 -0.082 0.000 0.282 64 L C -1.563 175.327 176.870 0.032 0.000 1.092 64 L CA -1.730 53.175 54.840 0.108 0.000 0.831 64 L CB 0.741 42.876 42.059 0.127 0.000 1.159 64 L HN 0.112 nan 8.230 nan 0.000 0.442 65 P HA -0.000 nan 4.420 nan 0.000 0.267 65 P C 0.418 177.734 177.300 0.027 0.000 1.200 65 P CA 0.091 63.141 63.100 -0.083 0.000 0.772 65 P CB 0.702 32.317 31.700 -0.142 0.000 0.855 66 T N -1.846 112.692 114.554 -0.027 0.000 2.975 66 T HA 0.208 4.509 4.350 -0.082 0.000 0.261 66 T C 0.649 175.475 174.700 0.211 0.000 0.984 66 T CA -0.115 62.036 62.100 0.085 0.000 0.911 66 T CB -0.749 68.118 68.868 -0.002 0.000 1.127 66 T HN 0.212 nan 8.240 nan 0.000 0.514 67 F N 0.771 120.685 119.950 -0.060 0.000 3.069 67 F HA -0.173 4.304 4.527 -0.082 0.000 0.285 67 F C -0.030 175.740 175.800 -0.049 0.000 0.827 67 F CA 0.031 57.998 58.000 -0.056 0.000 1.108 67 F CB -2.050 36.916 39.000 -0.057 0.000 1.252 67 F HN 0.134 nan 8.300 nan 0.000 0.483 68 V N 0.648 120.577 119.914 0.025 0.000 2.364 68 V HA 0.286 4.357 4.120 -0.082 0.000 0.272 68 V C 1.074 177.141 176.094 -0.045 0.000 1.036 68 V CA -0.163 62.137 62.300 0.001 0.000 0.880 68 V CB 1.701 33.517 31.823 -0.011 0.000 0.991 68 V HN 0.219 nan 8.190 nan 0.000 0.460 69 R N 2.183 122.666 120.500 -0.029 0.000 2.335 69 R HA 0.319 4.610 4.340 -0.082 0.000 0.210 69 R C 0.472 176.752 176.300 -0.032 0.000 0.892 69 R CA 0.267 56.339 56.100 -0.046 0.000 1.048 69 R CB 0.911 31.192 30.300 -0.031 0.000 1.067 69 R HN 0.672 nan 8.270 nan 0.000 0.524 70 S N -0.501 115.189 115.700 -0.017 0.000 2.567 70 S HA 0.202 4.623 4.470 -0.082 0.000 0.270 70 S C -0.572 174.031 174.600 0.005 0.000 1.152 70 S CA -0.825 57.370 58.200 -0.007 0.000 0.835 70 S CB 1.187 64.384 63.200 -0.005 0.000 1.115 70 S HN 0.168 nan 8.310 nan 0.000 0.459 71 T N 1.697 116.263 114.554 0.019 0.000 2.766 71 T HA 0.504 4.805 4.350 -0.082 0.000 0.295 71 T C -2.686 172.042 174.700 0.046 0.000 1.024 71 T CA -1.066 61.059 62.100 0.041 0.000 1.018 71 T CB -0.513 68.396 68.868 0.068 0.000 1.002 71 T HN 0.461 nan 8.240 nan 0.000 0.532 72 P HA 0.095 nan 4.420 nan 0.000 0.265 72 P C 0.427 177.759 177.300 0.054 0.000 1.187 72 P CA -0.033 63.119 63.100 0.088 0.000 0.766 72 P CB 0.366 32.180 31.700 0.191 0.000 0.820 73 D N 1.818 122.243 120.400 0.042 0.000 2.103 73 D HA -0.047 4.544 4.640 -0.082 0.000 0.199 73 D C 1.647 177.961 176.300 0.023 0.000 0.978 73 D CA 1.909 55.919 54.000 0.016 0.000 0.829 73 D CB -0.134 40.685 40.800 0.031 0.000 0.981 73 D HN 0.639 nan 8.370 nan 0.000 0.464 74 G N -0.276 108.565 108.800 0.069 0.000 2.218 74 G HA2 -0.273 3.638 3.960 -0.082 0.000 0.216 74 G HA3 -0.273 3.638 3.960 -0.082 0.000 0.216 74 G C 1.161 176.125 174.900 0.107 0.000 0.994 74 G CA 0.944 46.094 45.100 0.083 0.000 0.637 74 G HN 0.411 nan 8.290 nan 0.000 0.505 75 T N -0.813 113.801 114.554 0.100 0.000 3.100 75 T HA 0.376 4.677 4.350 -0.082 0.000 0.253 75 T C 0.653 175.453 174.700 0.167 0.000 1.118 75 T CA 0.921 63.098 62.100 0.128 0.000 1.058 75 T CB 0.262 69.191 68.868 0.103 0.000 0.953 75 T HN 0.346 nan 8.240 nan 0.000 0.515 76 E N 3.296 123.574 120.200 0.130 0.000 2.366 76 E HA 0.261 4.562 4.350 -0.082 0.000 0.266 76 E C 0.380 177.075 176.600 0.160 0.000 1.015 76 E CA -0.043 56.411 56.400 0.091 0.000 0.906 76 E CB 0.164 29.896 29.700 0.053 0.000 0.979 76 E HN 0.712 nan 8.360 nan 0.000 0.443 77 H N 0.550 119.690 119.070 0.117 0.000 2.985 77 H HA 0.833 5.340 4.556 -0.081 0.000 0.360 77 H C 0.116 175.506 175.328 0.104 0.000 1.221 77 H CA -1.025 55.080 56.048 0.095 0.000 1.121 77 H CB 1.667 31.458 29.762 0.048 0.000 1.854 77 H HN 0.660 nan 8.280 nan 0.000 0.551 78 G N -0.893 107.971 108.800 0.106 0.000 2.351 78 G HA2 0.397 4.308 3.960 -0.082 0.000 0.353 78 G HA3 0.397 4.308 3.960 -0.082 0.000 0.353 78 G C -1.706 172.902 174.900 -0.487 0.000 1.358 78 G CA -0.225 44.701 45.100 -0.291 0.000 0.995 78 G HN 0.964 nan 8.290 nan 0.000 0.611 79 E N -0.746 118.979 120.200 -0.791 0.000 2.171 79 E HA 0.834 5.135 4.350 -0.082 0.000 0.271 79 E C -1.125 174.958 176.600 -0.861 0.000 0.916 79 E CA -0.754 55.286 56.400 -0.599 0.000 0.774 79 E CB 1.556 31.125 29.700 -0.218 0.000 1.128 79 E HN 1.062 nan 8.360 nan 0.000 0.403 80 F N 0.224 120.002 119.950 -0.286 0.000 2.588 80 F HA 0.569 5.046 4.527 -0.083 0.000 0.310 80 F C 0.021 175.775 175.800 -0.076 0.000 1.082 80 F CA -0.899 57.007 58.000 -0.157 0.000 0.929 80 F CB 2.010 40.911 39.000 -0.165 0.000 1.254 80 F HN 0.438 nan 8.300 nan 0.000 0.455 81 L N 2.123 123.490 121.223 0.241 0.000 2.399 81 L HA 0.868 5.159 4.340 -0.082 0.000 0.265 81 L C -0.075 176.894 176.870 0.166 0.000 1.089 81 L CA -0.576 54.404 54.840 0.234 0.000 0.802 81 L CB 1.487 43.679 42.059 0.222 0.000 1.180 81 L HN 0.835 nan 8.230 nan 0.000 0.454 82 A N 2.560 125.442 122.820 0.104 0.000 2.594 82 A HA 0.869 5.140 4.320 -0.082 0.000 0.291 82 A C -1.439 176.151 177.584 0.010 0.000 1.105 82 A CA -0.533 51.541 52.037 0.062 0.000 0.694 82 A CB 1.578 20.599 19.000 0.036 0.000 1.291 82 A HN 0.556 nan 8.150 nan 0.000 0.410 83 L N 0.625 121.885 121.223 0.063 0.000 2.388 83 L HA 0.586 4.877 4.340 -0.082 0.000 0.264 83 L C -1.368 175.657 176.870 0.259 0.000 0.998 83 L CA -0.764 54.130 54.840 0.090 0.000 0.817 83 L CB 2.384 44.411 42.059 -0.053 0.000 1.338 83 L HN 0.708 nan 8.230 nan 0.000 0.414 84 D N 2.938 123.498 120.400 0.267 0.000 2.421 84 D HA 0.491 5.082 4.640 -0.082 0.000 0.254 84 D C -1.700 174.848 176.300 0.413 0.000 1.238 84 D CA -0.186 53.978 54.000 0.273 0.000 0.919 84 D CB 1.669 42.544 40.800 0.124 0.000 1.152 84 D HN 0.201 nan 8.370 nan 0.000 0.552 85 L N 3.077 124.562 121.223 0.438 0.000 2.409 85 L HA 0.785 5.076 4.340 -0.082 0.000 0.272 85 L C 0.791 177.752 176.870 0.152 0.000 0.980 85 L CA 0.284 55.375 54.840 0.419 0.000 0.826 85 L CB 1.809 44.198 42.059 0.550 0.000 1.268 85 L HN 0.556 nan 8.230 nan 0.000 0.407 86 G N 2.420 111.268 108.800 0.079 0.000 2.551 86 G HA2 -0.047 3.864 3.960 -0.082 0.000 0.186 86 G HA3 -0.047 3.864 3.960 -0.082 0.000 0.186 86 G C 0.325 175.204 174.900 -0.035 0.000 1.002 86 G CA -0.076 44.914 45.100 -0.183 0.000 0.723 86 G HN 1.111 nan 8.290 nan 0.000 0.481 87 G N -0.143 108.684 108.800 0.046 0.000 2.543 87 G HA2 0.512 4.423 3.960 -0.082 0.000 0.267 87 G HA3 0.512 4.423 3.960 -0.082 0.000 0.267 87 G C 1.401 176.381 174.900 0.134 0.000 1.406 87 G CA 1.312 46.448 45.100 0.061 0.000 1.048 87 G HN 0.879 nan 8.290 nan 0.000 0.548 88 T N -2.290 112.319 114.554 0.091 0.000 2.951 88 T HA -0.005 4.296 4.350 -0.082 0.000 0.268 88 T C 0.695 175.465 174.700 0.116 0.000 1.073 88 T CA 0.830 62.982 62.100 0.088 0.000 1.134 88 T CB -0.224 68.671 68.868 0.046 0.000 0.884 88 T HN 0.353 nan 8.240 nan 0.000 0.479 89 N N 0.842 119.618 118.700 0.128 0.000 2.448 89 N HA 0.453 5.144 4.740 -0.082 0.000 0.279 89 N C -1.610 174.039 175.510 0.231 0.000 1.025 89 N CA -0.784 52.357 53.050 0.152 0.000 0.898 89 N CB 1.275 39.809 38.487 0.080 0.000 1.303 89 N HN 0.180 nan 8.380 nan 0.000 0.495 90 F N 3.088 123.127 119.950 0.149 0.000 2.543 90 F HA 0.297 4.794 4.527 -0.051 0.000 0.375 90 F C 0.218 176.112 175.800 0.157 0.000 1.075 90 F CA -0.208 57.896 58.000 0.173 0.000 1.225 90 F CB 0.283 39.416 39.000 0.222 0.000 1.099 90 F HN 0.363 nan 8.300 nan 0.000 0.561 91 R N 4.951 125.236 120.500 -0.358 0.000 2.621 91 R HA 0.643 4.934 4.340 -0.082 0.000 0.284 91 R C -1.998 173.966 176.300 -0.560 0.000 0.998 91 R CA -0.830 55.025 56.100 -0.409 0.000 0.895 91 R CB 2.034 32.246 30.300 -0.147 0.000 1.195 91 R HN 0.553 nan 8.270 nan 0.000 0.450 92 V N 5.623 125.178 119.914 -0.599 0.000 2.435 92 V HA 0.505 4.576 4.120 -0.082 0.000 0.290 92 V C -0.453 175.163 176.094 -0.797 0.000 1.030 92 V CA -0.664 61.242 62.300 -0.657 0.000 0.881 92 V CB 1.507 32.862 31.823 -0.780 0.000 0.983 92 V HN 0.580 nan 8.190 nan 0.000 0.445 93 L N 3.418 124.382 121.223 -0.432 0.000 2.283 93 L HA 0.716 5.006 4.340 -0.082 0.000 0.259 93 L C -1.044 175.973 176.870 0.246 0.000 1.027 93 L CA -0.293 54.463 54.840 -0.139 0.000 0.828 93 L CB 2.050 44.094 42.059 -0.025 0.000 1.380 93 L HN 0.777 nan 8.230 nan 0.000 0.425 94 W N 0.999 122.438 121.300 0.233 0.000 2.998 94 W HA 0.801 5.410 4.660 -0.084 0.000 0.335 94 W C -2.101 174.516 176.519 0.163 0.000 1.110 94 W CA -0.637 56.860 57.345 0.254 0.000 1.230 94 W CB 1.589 31.227 29.460 0.297 0.000 1.405 94 W HN 0.224 nan 8.180 nan 0.000 0.493 95 V N 5.405 124.918 119.914 -0.669 0.000 2.808 95 V HA 0.512 4.583 4.120 -0.082 0.000 0.308 95 V C -0.920 174.698 176.094 -0.793 0.000 1.099 95 V CA -1.252 60.693 62.300 -0.591 0.000 0.920 95 V CB 1.808 33.496 31.823 -0.225 0.000 1.014 95 V HN 0.495 nan 8.190 nan 0.000 0.425 96 K N 2.475 122.466 120.400 -0.682 0.000 2.427 96 K HA 0.883 5.154 4.320 -0.082 0.000 0.252 96 K C -1.556 174.956 176.600 -0.148 0.000 0.931 96 K CA -0.399 55.639 56.287 -0.415 0.000 0.793 96 K CB 2.332 34.560 32.500 -0.453 0.000 1.211 96 K HN 0.513 nan 8.250 nan 0.000 0.426 106 E N 4.670 124.853 120.200 -0.028 0.000 2.200 106 E HA 0.733 5.034 4.350 -0.082 0.000 0.283 106 E C -0.911 175.692 176.600 0.005 0.000 1.015 106 E CA -0.440 55.994 56.400 0.055 0.000 0.819 106 E CB 1.194 31.002 29.700 0.180 0.000 1.081 106 E HN 0.629 nan 8.360 nan 0.000 0.397 107 M N 2.884 122.566 119.600 0.137 0.000 2.530 107 M HA 0.418 4.849 4.480 -0.082 0.000 0.307 107 M C -0.829 175.678 176.300 0.344 0.000 1.161 107 M CA -0.637 54.771 55.300 0.180 0.000 0.903 107 M CB 2.396 35.041 32.600 0.076 0.000 1.711 107 M HN 0.416 nan 8.290 nan 0.000 0.451 108 E N 1.472 121.953 120.200 0.468 0.000 2.383 108 E HA 0.509 4.810 4.350 -0.082 0.000 0.275 108 E C -1.618 175.224 176.600 0.402 0.000 0.918 108 E CA -0.792 55.847 56.400 0.398 0.000 0.764 108 E CB 3.075 33.000 29.700 0.375 0.000 1.252 108 E HN 0.764 nan 8.360 nan 0.000 0.449 109 N N 0.871 119.742 118.700 0.286 0.000 2.610 109 N HA 0.315 5.006 4.740 -0.082 0.000 0.264 109 N C -1.637 173.929 175.510 0.093 0.000 1.348 109 N CA -0.766 52.343 53.050 0.099 0.000 0.819 109 N CB 2.088 40.579 38.487 0.007 0.000 1.521 109 N HN 0.349 nan 8.380 nan 0.000 0.497 110 Q N 0.853 120.573 119.800 -0.132 0.000 2.309 110 Q HA 0.499 4.790 4.340 -0.082 0.000 0.273 110 Q C -1.522 174.300 176.000 -0.297 0.000 1.040 110 Q CA -0.726 54.982 55.803 -0.157 0.000 0.834 110 Q CB 1.736 30.423 28.738 -0.085 0.000 1.345 110 Q HN 0.714 nan 8.270 nan 0.000 0.414 111 I N 3.652 124.052 120.570 -0.283 0.000 2.474 111 I HA 0.225 4.346 4.170 -0.082 0.000 0.287 111 I C -0.882 175.025 176.117 -0.350 0.000 1.048 111 I CA -0.180 60.991 61.300 -0.215 0.000 1.383 111 I CB 0.414 38.354 38.000 -0.100 0.000 1.412 111 I HN 0.568 nan 8.210 nan 0.000 0.531 112 Y N 3.852 124.102 120.300 -0.084 0.000 2.446 112 Y HA 0.630 5.131 4.550 -0.082 0.000 0.345 112 Y C 0.329 176.391 175.900 0.270 0.000 0.984 112 Y CA -0.951 57.201 58.100 0.086 0.000 1.058 112 Y CB 1.794 40.313 38.460 0.097 0.000 1.220 112 Y HN 0.566 nan 8.280 nan 0.000 0.455 113 A N 3.550 126.599 122.820 0.382 0.000 2.354 113 A HA 0.702 4.973 4.320 -0.082 0.000 0.269 113 A C -0.689 177.104 177.584 0.348 0.000 1.109 113 A CA -0.400 51.808 52.037 0.285 0.000 0.800 113 A CB -0.052 19.047 19.000 0.165 0.000 1.045 113 A HN 0.723 nan 8.150 nan 0.000 0.489 114 I N 3.321 123.985 120.570 0.156 0.000 2.382 114 I HA 0.264 4.385 4.170 -0.082 0.000 0.285 114 I C -2.280 173.741 176.117 -0.159 0.000 1.007 114 I CA -1.900 59.336 61.300 -0.107 0.000 1.142 114 I CB 1.725 39.633 38.000 -0.153 0.000 1.289 114 I HN 0.422 nan 8.210 nan 0.000 0.453 115 P HA -0.029 nan 4.420 nan 0.000 0.262 115 P C 0.868 178.045 177.300 -0.205 0.000 1.182 115 P CA 0.152 63.160 63.100 -0.153 0.000 0.761 115 P CB 0.702 32.322 31.700 -0.133 0.000 0.795 116 E N 2.927 123.020 120.200 -0.178 0.000 2.169 116 E HA -0.320 3.981 4.350 -0.082 0.000 0.202 116 E C 1.157 177.634 176.600 -0.205 0.000 1.016 116 E CA 1.787 58.062 56.400 -0.209 0.000 0.817 116 E CB 0.001 29.610 29.700 -0.152 0.000 0.736 116 E HN 0.556 nan 8.360 nan 0.000 0.462 117 D N -0.022 120.285 120.400 -0.154 0.000 2.264 117 D HA -0.171 4.420 4.640 -0.082 0.000 0.208 117 D C 2.006 178.218 176.300 -0.147 0.000 0.966 117 D CA 0.752 54.675 54.000 -0.129 0.000 0.864 117 D CB -0.258 40.489 40.800 -0.087 0.000 0.933 117 D HN 0.394 nan 8.370 nan 0.000 0.499 118 I N 0.014 120.467 120.570 -0.196 0.000 2.494 118 I HA -0.086 4.035 4.170 -0.082 0.000 0.250 118 I C 2.659 178.617 176.117 -0.265 0.000 1.112 118 I CA 0.245 61.416 61.300 -0.215 0.000 1.438 118 I CB -0.065 37.752 38.000 -0.304 0.000 1.111 118 I HN -0.168 nan 8.210 nan 0.000 0.431 119 M N 0.053 119.428 119.600 -0.375 0.000 2.260 119 M HA -0.213 4.218 4.480 -0.082 0.000 0.261 119 M C 1.127 177.138 176.300 -0.482 0.000 1.066 119 M CA 1.887 56.839 55.300 -0.580 0.000 1.082 119 M CB -0.132 32.000 32.600 -0.780 0.000 1.388 119 M HN 0.121 nan 8.290 nan 0.000 0.419 120 R N -0.778 119.535 120.500 -0.313 0.000 2.659 120 R HA 0.267 4.558 4.340 -0.082 0.000 0.418 120 R C 0.515 176.735 176.300 -0.133 0.000 1.076 120 R CA -0.386 55.578 56.100 -0.226 0.000 1.093 120 R CB 0.669 30.858 30.300 -0.185 0.000 1.400 120 R HN 0.249 nan 8.270 nan 0.000 0.583 121 G N 0.480 109.209 108.800 -0.118 0.000 2.773 121 G HA2 0.173 4.084 3.960 -0.082 0.000 0.186 121 G HA3 0.173 4.084 3.960 -0.082 0.000 0.186 121 G C -0.169 174.729 174.900 -0.004 0.000 1.411 121 G CA -0.339 44.729 45.100 -0.054 0.000 1.054 121 G HN 0.190 nan 8.290 nan 0.000 0.579 122 S N -1.031 114.687 115.700 0.031 0.000 2.610 122 S HA 0.466 4.887 4.470 -0.082 0.000 0.273 122 S C 1.576 176.256 174.600 0.135 0.000 1.274 122 S CA 0.303 58.550 58.200 0.079 0.000 1.023 122 S CB 1.266 64.508 63.200 0.070 0.000 0.962 122 S HN 1.037 nan 8.310 nan 0.000 0.523 123 G N 1.701 110.622 108.800 0.202 0.000 2.476 123 G HA2 -0.223 3.688 3.960 -0.082 0.000 0.218 123 G HA3 -0.223 3.688 3.960 -0.082 0.000 0.218 123 G C 1.244 176.336 174.900 0.320 0.000 1.164 123 G CA 1.466 46.764 45.100 0.330 0.000 0.768 123 G HN 0.771 nan 8.290 nan 0.000 0.560 124 T N 0.587 115.254 114.554 0.187 0.000 2.665 124 T HA -0.195 4.106 4.350 -0.082 0.000 0.268 124 T C 2.378 177.180 174.700 0.170 0.000 1.035 124 T CA 1.694 63.886 62.100 0.153 0.000 1.151 124 T CB -0.279 68.643 68.868 0.090 0.000 0.862 124 T HN 0.358 nan 8.240 nan 0.000 0.438 125 Q N -0.157 119.721 119.800 0.131 0.000 2.061 125 Q HA -0.119 4.172 4.340 -0.082 0.000 0.204 125 Q C 2.406 178.475 176.000 0.114 0.000 0.984 125 Q CA 1.275 57.139 55.803 0.101 0.000 0.846 125 Q CB -0.379 28.389 28.738 0.051 0.000 0.902 125 Q HN 0.333 nan 8.270 nan 0.000 0.421 126 L N -0.098 121.194 121.223 0.115 0.000 1.989 126 L HA -0.185 4.106 4.340 -0.082 0.000 0.211 126 L C 1.910 178.787 176.870 0.011 0.000 1.071 126 L CA 1.878 56.740 54.840 0.036 0.000 0.749 126 L CB -0.716 41.374 42.059 0.051 0.000 0.890 126 L HN 0.124 nan 8.230 nan 0.000 0.431 127 F N -0.245 119.766 119.950 0.102 0.000 2.293 127 F HA -0.111 4.354 4.527 -0.104 0.000 0.297 127 F C 2.322 178.165 175.800 0.072 0.000 1.089 127 F CA 1.113 59.161 58.000 0.081 0.000 1.377 127 F CB -0.624 38.416 39.000 0.066 0.000 1.051 127 F HN 0.154 nan 8.300 nan 0.000 0.511 128 D N -0.659 119.880 120.400 0.233 0.000 2.116 128 D HA -0.269 4.322 4.640 -0.082 0.000 0.193 128 D C 2.014 178.395 176.300 0.135 0.000 0.998 128 D CA 1.801 55.896 54.000 0.158 0.000 0.836 128 D CB -0.460 40.420 40.800 0.134 0.000 0.951 128 D HN 0.372 nan 8.370 nan 0.000 0.449 129 H N 0.178 119.264 119.070 0.028 0.000 2.326 129 H HA 0.010 4.529 4.556 -0.061 0.000 0.301 129 H C 2.286 177.603 175.328 -0.018 0.000 1.081 129 H CA 1.323 57.370 56.048 -0.002 0.000 1.334 129 H CB -0.306 29.432 29.762 -0.039 0.000 1.385 129 H HN 0.061 nan 8.280 nan 0.000 0.504 130 I N 0.316 120.874 120.570 -0.021 0.000 2.163 130 I HA -0.306 3.815 4.170 -0.082 0.000 0.243 130 I C 2.704 178.826 176.117 0.008 0.000 1.085 130 I CA 1.202 62.459 61.300 -0.071 0.000 1.347 130 I CB -0.501 37.384 38.000 -0.191 0.000 1.044 130 I HN 0.459 nan 8.210 nan 0.000 0.408 131 A N -0.001 122.861 122.820 0.069 0.000 1.933 131 A HA -0.261 4.010 4.320 -0.082 0.000 0.218 131 A C 2.343 179.988 177.584 0.102 0.000 1.175 131 A CA 1.871 54.005 52.037 0.161 0.000 0.628 131 A CB -0.623 18.494 19.000 0.195 0.000 0.814 131 A HN 0.527 nan 8.150 nan 0.000 0.444 132 E N -0.412 119.793 120.200 0.007 0.000 2.047 132 E HA -0.197 4.104 4.350 -0.082 0.000 0.191 132 E C 2.016 178.519 176.600 -0.163 0.000 0.987 132 E CA 1.556 57.927 56.400 -0.050 0.000 0.799 132 E CB -0.295 29.372 29.700 -0.055 0.000 0.752 132 E HN 0.611 nan 8.360 nan 0.000 0.449 133 C N 0.737 119.853 119.300 -0.308 0.000 2.398 133 C HA -0.176 4.235 4.460 -0.082 0.000 0.276 133 C C 2.659 177.343 174.990 -0.509 0.000 1.222 133 C CA 0.691 59.345 59.018 -0.607 0.000 1.746 133 C CB -1.163 26.113 27.740 -0.773 0.000 2.039 133 C HN 0.531 nan 8.230 nan 0.000 0.470 134 L N 2.007 123.060 121.223 -0.284 0.000 1.970 134 L HA -0.095 4.196 4.340 -0.082 0.000 0.212 134 L C 2.661 179.352 176.870 -0.298 0.000 1.071 134 L CA 2.493 57.214 54.840 -0.198 0.000 0.751 134 L CB -1.295 40.742 42.059 -0.037 0.000 0.889 134 L HN 0.303 nan 8.230 nan 0.000 0.432 135 A N -0.327 122.219 122.820 -0.458 0.000 1.903 135 A HA -0.359 3.912 4.320 -0.082 0.000 0.219 135 A C 2.295 179.729 177.584 -0.249 0.000 1.191 135 A CA 2.278 53.985 52.037 -0.550 0.000 0.638 135 A CB -1.272 17.549 19.000 -0.298 0.000 0.823 135 A HN 0.740 nan 8.150 nan 0.000 0.451 136 N N -1.294 117.329 118.700 -0.128 0.000 2.060 136 N HA -0.234 4.457 4.740 -0.082 0.000 0.195 136 N C 1.682 177.229 175.510 0.062 0.000 1.028 136 N CA 2.161 55.209 53.050 -0.003 0.000 0.861 136 N CB -0.342 38.200 38.487 0.091 0.000 1.029 136 N HN 0.458 nan 8.380 nan 0.000 0.428 137 F N 1.317 121.224 119.950 -0.071 0.000 2.186 137 F HA 0.029 4.508 4.527 -0.079 0.000 0.299 137 F C 2.453 178.199 175.800 -0.089 0.000 1.090 137 F CA 0.997 58.990 58.000 -0.012 0.000 1.307 137 F CB -0.208 38.794 39.000 0.004 0.000 1.019 137 F HN 0.043 nan 8.300 nan 0.000 0.489 138 M N -0.267 119.252 119.600 -0.136 0.000 2.132 138 M HA -0.185 4.246 4.480 -0.082 0.000 0.263 138 M C 1.837 177.989 176.300 -0.246 0.000 1.065 138 M CA 1.556 56.715 55.300 -0.235 0.000 1.122 138 M CB -0.596 31.856 32.600 -0.246 0.000 1.365 138 M HN -0.014 nan 8.290 nan 0.000 0.411 139 D N 0.821 121.106 120.400 -0.192 0.000 2.103 139 D HA -0.210 4.381 4.640 -0.082 0.000 0.190 139 D C 1.864 178.059 176.300 -0.176 0.000 0.997 139 D CA 1.228 55.138 54.000 -0.149 0.000 0.833 139 D CB -0.551 40.189 40.800 -0.100 0.000 0.961 139 D HN 0.201 nan 8.370 nan 0.000 0.447 140 K N 0.839 121.126 120.400 -0.189 0.000 2.059 140 K HA -0.151 4.119 4.320 -0.082 0.000 0.212 140 K C 2.178 178.591 176.600 -0.311 0.000 1.050 140 K CA 0.984 57.144 56.287 -0.213 0.000 0.927 140 K CB -0.492 31.899 32.500 -0.181 0.000 0.714 140 K HN 0.224 nan 8.250 nan 0.000 0.447 141 L N 0.572 121.513 121.223 -0.469 0.000 2.492 141 L HA 0.004 4.295 4.340 -0.082 0.000 0.223 141 L C 0.176 176.828 176.870 -0.364 0.000 1.132 141 L CA 0.325 54.861 54.840 -0.506 0.000 0.850 141 L CB -0.116 41.489 42.059 -0.756 0.000 0.966 141 L HN 0.324 nan 8.230 nan 0.000 0.454 142 Q N 0.520 120.156 119.800 -0.273 0.000 2.454 142 Q HA -0.186 4.105 4.340 -0.082 0.000 0.307 142 Q C 0.354 176.252 176.000 -0.171 0.000 1.430 142 Q CA 0.670 56.360 55.803 -0.188 0.000 0.786 142 Q CB -1.786 26.856 28.738 -0.159 0.000 1.115 142 Q HN 0.739 nan 8.270 nan 0.000 0.389 143 I N -4.336 116.134 120.570 -0.166 0.000 3.994 143 I HA 0.253 4.374 4.170 -0.082 0.000 0.323 143 I C 1.238 177.324 176.117 -0.052 0.000 1.501 143 I CA -0.583 60.657 61.300 -0.101 0.000 1.112 143 I CB 0.277 38.214 38.000 -0.104 0.000 1.254 143 I HN -0.077 nan 8.210 nan 0.000 0.495 144 K N 2.875 123.233 120.400 -0.070 0.000 2.360 144 K HA -0.184 4.087 4.320 -0.082 0.000 0.201 144 K C 1.318 177.944 176.600 0.045 0.000 1.046 144 K CA 2.312 58.572 56.287 -0.044 0.000 0.940 144 K CB -0.163 32.300 32.500 -0.062 0.000 0.748 144 K HN 0.743 nan 8.250 nan 0.000 0.465 145 D N -1.514 118.903 120.400 0.030 0.000 2.379 145 D HA 0.008 4.599 4.640 -0.082 0.000 0.208 145 D C -0.254 176.078 176.300 0.052 0.000 1.065 145 D CA 0.039 54.068 54.000 0.047 0.000 0.848 145 D CB 0.012 40.825 40.800 0.022 0.000 0.949 145 D HN -0.018 nan 8.370 nan 0.000 0.509 146 K N 0.628 121.059 120.400 0.051 0.000 2.237 146 K HA 0.183 4.454 4.320 -0.082 0.000 0.270 146 K C 0.033 176.687 176.600 0.089 0.000 1.015 146 K CA -0.362 55.960 56.287 0.058 0.000 0.949 146 K CB 1.285 33.818 32.500 0.054 0.000 0.976 146 K HN -0.077 nan 8.250 nan 0.000 0.472 147 K N 4.696 125.139 120.400 0.071 0.000 2.414 147 K HA 0.245 4.516 4.320 -0.082 0.000 0.251 147 K C -1.056 175.580 176.600 0.060 0.000 1.037 147 K CA -0.276 56.059 56.287 0.080 0.000 0.980 147 K CB 0.294 32.829 32.500 0.059 0.000 1.280 147 K HN 0.480 nan 8.250 nan 0.000 0.451 148 L N 4.997 126.267 121.223 0.077 0.000 2.334 148 L HA 0.578 4.869 4.340 -0.082 0.000 0.270 148 L C -2.029 174.874 176.870 0.054 0.000 1.018 148 L CA -2.471 52.385 54.840 0.026 0.000 0.811 148 L CB 1.676 43.766 42.059 0.051 0.000 1.271 148 L HN 0.538 nan 8.230 nan 0.000 0.443 149 P HA 0.223 nan 4.420 nan 0.000 0.274 149 P C -1.266 176.155 177.300 0.201 0.000 1.246 149 P CA -0.354 62.819 63.100 0.123 0.000 0.795 149 P CB 1.309 33.087 31.700 0.129 0.000 1.006 150 L N 0.483 121.834 121.223 0.212 0.000 2.439 150 L HA 0.646 4.937 4.340 -0.082 0.000 0.270 150 L C -0.146 176.832 176.870 0.179 0.000 0.972 150 L CA -0.380 54.574 54.840 0.191 0.000 0.836 150 L CB 1.652 43.794 42.059 0.139 0.000 1.255 150 L HN 0.464 nan 8.230 nan 0.000 0.404 151 G N 3.895 112.782 108.800 0.145 0.000 2.404 151 G HA2 0.351 4.262 3.960 -0.082 0.000 0.316 151 G HA3 0.351 4.262 3.960 -0.082 0.000 0.316 151 G C -1.203 173.819 174.900 0.204 0.000 1.074 151 G CA -0.208 44.957 45.100 0.108 0.000 0.989 151 G HN 0.377 nan 8.290 nan 0.000 0.430 152 F N 3.627 123.609 119.950 0.054 0.000 2.332 152 F HA 0.469 4.939 4.527 -0.094 0.000 0.368 152 F C 0.206 176.075 175.800 0.115 0.000 1.110 152 F CA -1.349 56.707 58.000 0.093 0.000 1.087 152 F CB 1.162 40.209 39.000 0.079 0.000 1.235 152 F HN 0.189 nan 8.300 nan 0.000 0.470 153 T N 7.613 122.449 114.554 0.470 0.000 2.729 153 T HA 0.251 4.552 4.350 -0.082 0.000 0.296 153 T C -0.951 173.910 174.700 0.268 0.000 0.928 153 T CA 0.086 62.323 62.100 0.228 0.000 1.045 153 T CB -0.073 68.888 68.868 0.154 0.000 0.902 153 T HN 0.371 nan 8.240 nan 0.000 0.500 154 F N 3.159 123.008 119.950 -0.169 0.000 2.513 154 F HA 0.352 4.818 4.527 -0.101 0.000 0.358 154 F C 0.340 176.061 175.800 -0.131 0.000 1.118 154 F CA -1.193 56.693 58.000 -0.190 0.000 1.037 154 F CB 1.111 39.775 39.000 -0.561 0.000 1.276 154 F HN 0.404 nan 8.300 nan 0.000 0.446 155 S N 6.519 121.865 115.700 -0.591 0.000 3.324 155 S HA 0.344 4.765 4.470 -0.082 0.000 0.229 155 S C -0.811 172.979 174.600 -1.350 0.000 1.417 155 S CA -0.011 57.723 58.200 -0.777 0.000 1.211 155 S CB -0.978 61.822 63.200 -0.666 0.000 1.157 155 S HN 0.391 nan 8.310 nan 0.000 0.491 156 F N 0.846 120.523 119.950 -0.455 0.000 2.626 156 F HA 0.475 4.973 4.527 -0.048 0.000 0.311 156 F C -2.637 173.071 175.800 -0.154 0.000 1.088 156 F CA -2.779 55.026 58.000 -0.325 0.000 0.949 156 F CB 1.027 39.710 39.000 -0.529 0.000 1.322 156 F HN -0.141 nan 8.300 nan 0.000 0.461 157 P HA 0.166 nan 4.420 nan 0.000 0.271 157 P C -0.930 176.449 177.300 0.132 0.000 1.233 157 P CA 0.064 63.229 63.100 0.109 0.000 0.764 157 P CB 0.539 32.310 31.700 0.119 0.000 0.825 158 C N 3.171 122.557 119.300 0.144 0.000 2.563 158 C HA 0.395 4.806 4.460 -0.082 0.000 0.314 158 C C 0.129 175.243 174.990 0.207 0.000 1.199 158 C CA -0.357 58.765 59.018 0.173 0.000 1.564 158 C CB 0.619 28.451 27.740 0.153 0.000 2.173 158 C HN 0.641 nan 8.230 nan 0.000 0.485 159 H N 3.208 122.377 119.070 0.165 0.000 2.652 159 H HA 0.525 5.031 4.556 -0.084 0.000 0.298 159 H C -0.207 175.252 175.328 0.217 0.000 1.076 159 H CA 0.439 56.584 56.048 0.162 0.000 1.360 159 H CB 0.516 30.340 29.762 0.104 0.000 1.421 159 H HN 0.754 nan 8.280 nan 0.000 0.464 160 Q N 2.827 122.459 119.800 -0.279 0.000 2.345 160 Q HA 0.273 4.564 4.340 -0.082 0.000 0.275 160 Q C -0.770 175.025 176.000 -0.341 0.000 1.063 160 Q CA -0.569 55.060 55.803 -0.290 0.000 0.819 160 Q CB 1.711 30.390 28.738 -0.098 0.000 1.356 160 Q HN 0.671 nan 8.270 nan 0.000 0.418 161 T N -0.993 113.266 114.554 -0.492 0.000 3.054 161 T HA 0.263 4.564 4.350 -0.082 0.000 0.255 161 T C -0.043 173.862 174.700 -1.324 0.000 1.035 161 T CA 0.186 61.882 62.100 -0.673 0.000 0.941 161 T CB -0.075 68.597 68.868 -0.326 0.000 1.026 161 T HN 0.722 nan 8.240 nan 0.000 0.533 162 K N -0.279 119.534 120.400 -0.980 0.000 2.615 162 K HA 0.441 4.712 4.320 -0.082 0.000 0.291 162 K C -0.019 176.381 176.600 -0.333 0.000 1.017 162 K CA -1.014 54.819 56.287 -0.757 0.000 0.882 162 K CB 0.458 32.693 32.500 -0.442 0.000 1.522 162 K HN -0.089 nan 8.250 nan 0.000 0.412 163 L N 0.502 121.628 121.223 -0.162 0.000 2.079 163 L HA -0.182 4.109 4.340 -0.082 0.000 0.210 163 L C 1.123 177.955 176.870 -0.063 0.000 1.081 163 L CA 1.818 56.626 54.840 -0.053 0.000 0.752 163 L CB -0.504 41.551 42.059 -0.007 0.000 0.896 163 L HN 0.783 nan 8.230 nan 0.000 0.433 164 D N 0.036 120.385 120.400 -0.084 0.000 2.538 164 D HA 0.020 4.611 4.640 -0.082 0.000 0.234 164 D C 0.189 176.429 176.300 -0.101 0.000 1.191 164 D CA -0.015 53.947 54.000 -0.064 0.000 0.828 164 D CB -0.128 40.644 40.800 -0.047 0.000 0.981 164 D HN 0.599 nan 8.370 nan 0.000 0.490 165 E N -1.595 118.525 120.200 -0.134 0.000 2.390 165 E HA 0.563 4.864 4.350 -0.082 0.000 0.280 165 E C -1.641 174.838 176.600 -0.200 0.000 0.992 165 E CA -0.978 55.305 56.400 -0.195 0.000 0.790 165 E CB 1.651 31.262 29.700 -0.148 0.000 1.248 165 E HN -0.132 nan 8.360 nan 0.000 0.447 166 S N 1.365 116.876 115.700 -0.315 0.000 2.626 166 S HA 0.367 4.788 4.470 -0.082 0.000 0.275 166 S C -1.648 172.774 174.600 -0.297 0.000 1.175 166 S CA -0.700 57.381 58.200 -0.199 0.000 0.982 166 S CB 0.418 63.525 63.200 -0.155 0.000 1.093 166 S HN 0.439 nan 8.310 nan 0.000 0.472 167 F N 2.986 122.909 119.950 -0.045 0.000 2.371 167 F HA 0.396 4.874 4.527 -0.082 0.000 0.363 167 F C 0.367 176.174 175.800 0.012 0.000 1.122 167 F CA -0.843 57.151 58.000 -0.010 0.000 1.129 167 F CB 0.700 39.745 39.000 0.075 0.000 1.173 167 F HN 0.406 nan 8.300 nan 0.000 0.489 168 L N 5.053 126.315 121.223 0.065 0.000 2.628 168 L HA -0.021 4.269 4.340 -0.082 0.000 0.274 168 L C 0.505 177.390 176.870 0.026 0.000 1.209 168 L CA 0.551 55.400 54.840 0.015 0.000 0.930 168 L CB 0.528 42.460 42.059 -0.211 0.000 1.183 168 L HN 0.617 nan 8.230 nan 0.000 0.492 169 V N 3.238 123.183 119.914 0.052 0.000 2.379 169 V HA 0.080 4.151 4.120 -0.082 0.000 0.243 169 V C 0.962 177.060 176.094 0.006 0.000 1.035 169 V CA 1.419 63.752 62.300 0.054 0.000 1.035 169 V CB 0.005 31.881 31.823 0.089 0.000 0.673 169 V HN 0.904 nan 8.190 nan 0.000 0.457 170 S N -2.448 113.241 115.700 -0.017 0.000 2.542 170 S HA 0.391 4.812 4.470 -0.082 0.000 0.276 170 S C -1.825 172.794 174.600 0.031 0.000 1.148 170 S CA -0.895 57.317 58.200 0.020 0.000 0.886 170 S CB 0.735 63.996 63.200 0.101 0.000 1.109 170 S HN 0.282 nan 8.310 nan 0.000 0.458 171 W N 2.639 123.976 121.300 0.062 0.000 2.184 171 W HA 0.503 5.168 4.660 0.010 0.000 0.338 171 W C 1.099 177.726 176.519 0.180 0.000 1.257 171 W CA 0.012 57.367 57.345 0.017 0.000 1.243 171 W CB 1.203 30.649 29.460 -0.024 0.000 1.122 171 W HN 0.785 nan 8.180 nan 0.000 0.585 172 T N -1.383 113.551 114.554 0.632 0.000 2.716 172 T HA 0.613 4.914 4.350 -0.082 0.000 0.286 172 T C -0.020 174.984 174.700 0.507 0.000 1.052 172 T CA -0.910 61.477 62.100 0.478 0.000 1.024 172 T CB 2.102 71.204 68.868 0.391 0.000 1.349 172 T HN 0.593 nan 8.240 nan 0.000 0.525 173 K N -0.473 120.167 120.400 0.400 0.000 1.791 173 K HA -0.204 4.067 4.320 -0.082 0.000 0.140 173 K C 1.074 177.838 176.600 0.272 0.000 1.312 173 K CA 1.353 57.840 56.287 0.333 0.000 0.382 173 K CB -1.789 30.899 32.500 0.313 0.000 0.635 173 K HN 1.012 nan 8.250 nan 0.000 0.838 174 G N 0.334 109.285 108.800 0.253 0.000 3.605 174 G HA2 0.408 4.319 3.960 -0.082 0.000 0.277 174 G HA3 0.408 4.319 3.960 -0.082 0.000 0.277 174 G C -0.577 174.239 174.900 -0.140 0.000 1.093 174 G CA -0.298 44.824 45.100 0.037 0.000 0.821 174 G HN 0.127 nan 8.290 nan 0.000 0.532 175 F N 0.163 120.017 119.950 -0.160 0.000 2.422 175 F HA 0.619 5.084 4.527 -0.105 0.000 0.333 175 F C 0.735 176.118 175.800 -0.696 0.000 1.095 175 F CA -0.808 56.844 58.000 -0.581 0.000 1.038 175 F CB 2.299 40.725 39.000 -0.957 0.000 1.156 175 F HN -0.117 nan 8.300 nan 0.000 0.483 176 K N 1.861 121.835 120.400 -0.709 0.000 3.335 176 K HA 0.187 4.458 4.320 -0.082 0.000 0.179 176 K C -1.297 175.115 176.600 -0.314 0.000 1.179 176 K CA 0.051 56.063 56.287 -0.457 0.000 0.763 176 K CB 0.493 32.906 32.500 -0.145 0.000 1.022 176 K HN 0.608 nan 8.250 nan 0.000 0.560 177 S N 1.397 116.865 115.700 -0.387 0.000 2.489 177 S HA 0.138 4.559 4.470 -0.082 0.000 0.277 177 S C 0.082 174.864 174.600 0.305 0.000 1.230 177 S CA -0.509 57.727 58.200 0.060 0.000 1.053 177 S CB 1.162 64.483 63.200 0.202 0.000 0.955 177 S HN 0.533 nan 8.310 nan 0.000 0.488 178 S N 2.619 118.427 115.700 0.180 0.000 2.563 178 S HA 0.372 4.793 4.470 -0.082 0.000 0.284 178 S C 1.334 176.052 174.600 0.198 0.000 1.331 178 S CA -0.111 58.192 58.200 0.173 0.000 1.047 178 S CB 0.012 63.275 63.200 0.105 0.000 0.859 178 S HN 1.549 nan 8.310 nan 0.000 0.514 179 G N 0.926 109.823 108.800 0.163 0.000 2.203 179 G HA2 -0.233 3.678 3.960 -0.082 0.000 0.263 179 G HA3 -0.233 3.678 3.960 -0.082 0.000 0.263 179 G C 0.384 175.359 174.900 0.126 0.000 1.012 179 G CA 0.244 45.417 45.100 0.122 0.000 0.749 179 G HN 0.956 nan 8.290 nan 0.000 0.512 180 V N -0.492 119.535 119.914 0.189 0.000 2.788 180 V HA 0.145 4.216 4.120 -0.082 0.000 0.241 180 V C 1.463 177.543 176.094 -0.024 0.000 1.083 180 V CA 1.099 63.462 62.300 0.105 0.000 1.103 180 V CB -0.089 31.892 31.823 0.262 0.000 0.800 180 V HN 0.525 nan 8.190 nan 0.000 0.476 181 E N 0.949 121.122 120.200 -0.046 0.000 2.558 181 E HA 0.241 4.542 4.350 -0.082 0.000 0.255 181 E C 1.249 177.855 176.600 0.010 0.000 0.968 181 E CA 0.923 57.276 56.400 -0.078 0.000 0.939 181 E CB 0.098 29.779 29.700 -0.032 0.000 0.921 181 E HN 0.539 nan 8.360 nan 0.000 0.477 182 G N 3.321 112.147 108.800 0.043 0.000 2.199 182 G HA2 -0.312 3.599 3.960 -0.082 0.000 0.254 182 G HA3 -0.312 3.599 3.960 -0.082 0.000 0.254 182 G C 0.305 175.337 174.900 0.220 0.000 0.982 182 G CA 0.077 45.241 45.100 0.108 0.000 0.632 182 G HN 0.478 nan 8.290 nan 0.000 0.529 183 R N 0.096 120.678 120.500 0.136 0.000 2.758 183 R HA 0.497 4.788 4.340 -0.082 0.000 0.265 183 R C -1.146 175.041 176.300 -0.188 0.000 1.016 183 R CA -0.790 55.352 56.100 0.070 0.000 1.040 183 R CB 0.893 31.164 30.300 -0.048 0.000 1.152 183 R HN 0.128 nan 8.270 nan 0.000 0.503 184 D N 1.471 121.562 120.400 -0.515 0.000 2.339 184 D HA 0.023 4.614 4.640 -0.082 0.000 0.241 184 D C 1.276 177.254 176.300 -0.537 0.000 1.183 184 D CA -0.288 53.170 54.000 -0.904 0.000 0.859 184 D CB 1.475 41.640 40.800 -1.058 0.000 1.067 184 D HN 0.353 nan 8.370 nan 0.000 0.484 185 V N 2.524 122.143 119.914 -0.492 0.000 2.594 185 V HA -0.180 3.891 4.120 -0.082 0.000 0.253 185 V C 1.894 177.862 176.094 -0.209 0.000 1.069 185 V CA 1.174 63.234 62.300 -0.399 0.000 1.082 185 V CB -0.801 30.680 31.823 -0.569 0.000 0.680 185 V HN 0.424 nan 8.190 nan 0.000 0.469 186 V N 1.068 120.855 119.914 -0.211 0.000 2.427 186 V HA -0.118 3.953 4.120 -0.082 0.000 0.248 186 V C 3.046 179.057 176.094 -0.137 0.000 1.051 186 V CA 2.078 64.326 62.300 -0.087 0.000 1.048 186 V CB -1.205 30.557 31.823 -0.100 0.000 0.666 186 V HN 0.660 nan 8.190 nan 0.000 0.456 187 A N -0.218 122.467 122.820 -0.225 0.000 1.898 187 A HA -0.019 4.252 4.320 -0.082 0.000 0.214 187 A C 2.185 179.632 177.584 -0.229 0.000 1.183 187 A CA 1.217 53.135 52.037 -0.199 0.000 0.622 187 A CB -0.404 18.474 19.000 -0.203 0.000 0.824 187 A HN 0.476 nan 8.150 nan 0.000 0.444 188 L N -0.944 120.059 121.223 -0.367 0.000 2.083 188 L HA -0.150 4.141 4.340 -0.082 0.000 0.209 188 L C 2.485 179.109 176.870 -0.410 0.000 1.083 188 L CA 1.106 55.627 54.840 -0.531 0.000 0.752 188 L CB -0.469 40.943 42.059 -1.077 0.000 0.899 188 L HN 0.433 nan 8.230 nan 0.000 0.433 189 I N -0.117 120.311 120.570 -0.237 0.000 2.286 189 I HA -0.197 3.924 4.170 -0.082 0.000 0.245 189 I C 2.699 178.808 176.117 -0.013 0.000 1.104 189 I CA 1.362 62.703 61.300 0.069 0.000 1.397 189 I CB -0.309 37.803 38.000 0.188 0.000 1.072 189 I HN 0.067 nan 8.210 nan 0.000 0.417 190 R N 0.371 120.832 120.500 -0.065 0.000 2.083 190 R HA -0.201 4.090 4.340 -0.082 0.000 0.237 190 R C 2.300 178.544 176.300 -0.093 0.000 1.137 190 R CA 1.831 57.878 56.100 -0.087 0.000 0.951 190 R CB -0.383 29.865 30.300 -0.087 0.000 0.851 190 R HN 0.352 nan 8.270 nan 0.000 0.434 191 K N 0.099 120.443 120.400 -0.093 0.000 2.097 191 K HA -0.108 4.163 4.320 -0.082 0.000 0.206 191 K C 2.156 178.728 176.600 -0.047 0.000 1.049 191 K CA 1.338 57.579 56.287 -0.077 0.000 0.933 191 K CB -0.152 32.294 32.500 -0.089 0.000 0.717 191 K HN 0.164 nan 8.250 nan 0.000 0.442 192 A N 1.539 124.347 122.820 -0.020 0.000 1.883 192 A HA -0.179 4.092 4.320 -0.082 0.000 0.217 192 A C 2.121 179.711 177.584 0.010 0.000 1.186 192 A CA 1.408 53.469 52.037 0.041 0.000 0.624 192 A CB -0.640 18.443 19.000 0.139 0.000 0.822 192 A HN 0.186 nan 8.150 nan 0.000 0.444 193 I N 0.189 120.727 120.570 -0.053 0.000 2.226 193 I HA -0.322 3.799 4.170 -0.082 0.000 0.245 193 I C 2.800 178.805 176.117 -0.187 0.000 1.100 193 I CA 1.909 63.091 61.300 -0.196 0.000 1.374 193 I CB -0.411 37.328 38.000 -0.435 0.000 1.057 193 I HN 0.681 nan 8.210 nan 0.000 0.413 194 Q N 1.074 120.792 119.800 -0.137 0.000 2.472 194 Q HA -0.083 4.208 4.340 -0.082 0.000 0.208 194 Q C 1.885 177.854 176.000 -0.053 0.000 0.958 194 Q CA 0.590 56.331 55.803 -0.103 0.000 0.932 194 Q CB -0.116 28.568 28.738 -0.090 0.000 1.007 194 Q HN 0.418 nan 8.270 nan 0.000 0.508 195 R N 0.056 120.538 120.500 -0.031 0.000 2.280 195 R HA 0.072 4.363 4.340 -0.082 0.000 0.207 195 R C 1.699 178.005 176.300 0.011 0.000 1.043 195 R CA 0.830 56.928 56.100 -0.003 0.000 1.006 195 R CB 0.225 30.534 30.300 0.015 0.000 0.885 195 R HN 0.314 nan 8.270 nan 0.000 0.467 196 R N -1.556 118.948 120.500 0.008 0.000 2.064 196 R HA 0.176 4.467 4.340 -0.082 0.000 0.210 196 R C 1.468 177.785 176.300 0.028 0.000 1.221 196 R CA 0.798 56.922 56.100 0.040 0.000 1.055 196 R CB 0.171 30.528 30.300 0.096 0.000 0.946 196 R HN 0.281 nan 8.270 nan 0.000 0.459 197 G N 1.117 109.914 108.800 -0.005 0.000 2.299 197 G HA2 -0.359 3.552 3.960 -0.082 0.000 0.237 197 G HA3 -0.359 3.552 3.960 -0.082 0.000 0.237 197 G C 0.587 175.517 174.900 0.050 0.000 1.027 197 G CA 0.658 45.757 45.100 -0.002 0.000 0.619 197 G HN 0.343 nan 8.290 nan 0.000 0.513 198 D N 0.096 120.570 120.400 0.124 0.000 2.345 198 D HA -0.052 4.539 4.640 -0.082 0.000 0.190 198 D C 1.059 177.555 176.300 0.327 0.000 1.024 198 D CA 2.647 56.787 54.000 0.233 0.000 0.893 198 D CB -0.136 40.885 40.800 0.368 0.000 0.907 198 D HN 1.179 nan 8.370 nan 0.000 0.452 199 F N -3.164 116.791 119.950 0.008 0.000 2.926 199 F HA 0.572 5.048 4.527 -0.086 0.000 0.321 199 F C -1.781 174.026 175.800 0.013 0.000 1.168 199 F CA -1.318 56.689 58.000 0.011 0.000 0.890 199 F CB 1.036 40.045 39.000 0.014 0.000 1.357 199 F HN -0.300 nan 8.300 nan 0.000 0.468 200 D N 0.261 120.615 120.400 -0.076 0.000 2.583 200 D HA 0.741 5.332 4.640 -0.082 0.000 0.248 200 D C -1.348 174.955 176.300 0.005 0.000 1.209 200 D CA -0.218 53.671 54.000 -0.184 0.000 0.848 200 D CB 2.718 43.470 40.800 -0.080 0.000 1.431 200 D HN 0.882 nan 8.370 nan 0.000 0.436 201 I N -1.462 119.091 120.570 -0.028 0.000 2.969 201 I HA 0.630 4.751 4.170 -0.082 0.000 0.307 201 I C -0.136 176.007 176.117 0.043 0.000 1.149 201 I CA -0.870 60.465 61.300 0.059 0.000 1.008 201 I CB 2.277 40.329 38.000 0.086 0.000 1.232 201 I HN 0.199 nan 8.210 nan 0.000 0.435 202 D N 1.807 122.253 120.400 0.076 0.000 2.261 202 D HA 0.378 4.969 4.640 -0.082 0.000 0.289 202 D C 0.042 176.399 176.300 0.095 0.000 1.162 202 D CA -0.536 53.519 54.000 0.091 0.000 1.089 202 D CB 0.609 41.492 40.800 0.137 0.000 1.162 202 D HN 0.581 nan 8.370 nan 0.000 0.521 203 I N 0.843 121.496 120.570 0.138 0.000 2.692 203 I HA 0.113 4.234 4.170 -0.082 0.000 0.284 203 I C -0.953 175.238 176.117 0.122 0.000 1.159 203 I CA -0.302 61.067 61.300 0.115 0.000 1.423 203 I CB 0.607 38.692 38.000 0.141 0.000 1.380 203 I HN -0.021 nan 8.210 nan 0.000 0.580 204 V N 7.916 127.884 119.914 0.090 0.000 2.384 204 V HA 0.521 4.592 4.120 -0.082 0.000 0.287 204 V C 0.294 176.443 176.094 0.093 0.000 1.020 204 V CA -0.622 61.746 62.300 0.113 0.000 0.850 204 V CB 1.153 33.047 31.823 0.119 0.000 0.987 204 V HN 0.830 nan 8.190 nan 0.000 0.436 205 A N 5.036 127.921 122.820 0.109 0.000 2.301 205 A HA 0.838 5.109 4.320 -0.082 0.000 0.312 205 A C -0.604 177.032 177.584 0.086 0.000 1.182 205 A CA -0.472 51.607 52.037 0.069 0.000 0.826 205 A CB 1.190 20.224 19.000 0.056 0.000 1.134 205 A HN 0.687 nan 8.150 nan 0.000 0.501 206 V N 3.265 123.193 119.914 0.025 0.000 2.487 206 V HA 0.599 4.670 4.120 -0.082 0.000 0.298 206 V C -0.091 175.992 176.094 -0.017 0.000 1.028 206 V CA -0.480 61.806 62.300 -0.024 0.000 0.860 206 V CB 1.267 32.999 31.823 -0.153 0.000 0.991 206 V HN 1.025 nan 8.190 nan 0.000 0.427 207 V N 1.366 121.278 119.914 -0.004 0.000 2.914 207 V HA 0.624 4.694 4.120 -0.082 0.000 0.314 207 V C -0.047 176.044 176.094 -0.005 0.000 1.084 207 V CA -0.876 61.424 62.300 -0.000 0.000 0.963 207 V CB 1.886 33.709 31.823 0.000 0.000 1.025 207 V HN 0.832 nan 8.190 nan 0.000 0.432 208 N N 1.697 120.387 118.700 -0.017 0.000 2.371 208 N HA 0.007 4.698 4.740 -0.082 0.000 0.243 208 N C 0.552 176.025 175.510 -0.063 0.000 1.287 208 N CA 0.345 53.364 53.050 -0.052 0.000 0.911 208 N CB 1.302 39.753 38.487 -0.059 0.000 1.142 208 N HN 1.013 nan 8.380 nan 0.000 0.451 209 D N 0.070 120.408 120.400 -0.102 0.000 2.178 209 D HA -0.171 4.420 4.640 -0.082 0.000 0.202 209 D C 1.690 177.942 176.300 -0.080 0.000 0.974 209 D CA 1.763 55.713 54.000 -0.083 0.000 0.841 209 D CB -0.882 39.854 40.800 -0.106 0.000 0.953 209 D HN 0.691 nan 8.370 nan 0.000 0.478 210 T N -1.010 113.483 114.554 -0.102 0.000 2.746 210 T HA -0.126 4.175 4.350 -0.082 0.000 0.267 210 T C 2.200 176.853 174.700 -0.078 0.000 1.039 210 T CA 1.533 63.568 62.100 -0.108 0.000 1.142 210 T CB -0.900 67.879 68.868 -0.148 0.000 0.866 210 T HN 0.067 nan 8.240 nan 0.000 0.444 211 V N 2.130 122.006 119.914 -0.064 0.000 2.270 211 V HA 0.044 4.115 4.120 -0.082 0.000 0.245 211 V C 3.175 179.247 176.094 -0.037 0.000 1.043 211 V CA 1.803 64.075 62.300 -0.047 0.000 1.014 211 V CB -1.628 30.173 31.823 -0.037 0.000 0.645 211 V HN 0.657 nan 8.190 nan 0.000 0.447 212 G N -0.145 108.635 108.800 -0.033 0.000 2.513 212 G HA2 -0.306 3.605 3.960 -0.082 0.000 0.219 212 G HA3 -0.306 3.605 3.960 -0.082 0.000 0.219 212 G C 1.690 176.574 174.900 -0.027 0.000 1.160 212 G CA 1.834 46.917 45.100 -0.028 0.000 0.767 212 G HN 0.469 nan 8.290 nan 0.000 0.571 213 T N 0.703 115.238 114.554 -0.031 0.000 2.788 213 T HA -0.122 4.178 4.350 -0.082 0.000 0.268 213 T C 2.247 176.934 174.700 -0.020 0.000 1.044 213 T CA 1.386 63.471 62.100 -0.026 0.000 1.139 213 T CB -0.189 68.656 68.868 -0.039 0.000 0.867 213 T HN 0.292 nan 8.240 nan 0.000 0.454 214 M N 0.181 119.764 119.600 -0.028 0.000 2.159 214 M HA -0.081 4.350 4.480 -0.082 0.000 0.263 214 M C 1.835 178.135 176.300 0.001 0.000 1.063 214 M CA 1.518 56.806 55.300 -0.019 0.000 1.110 214 M CB -0.125 32.459 32.600 -0.025 0.000 1.374 214 M HN 0.136 nan 8.290 nan 0.000 0.411 215 M N -0.973 118.626 119.600 -0.001 0.000 2.288 215 M HA -0.052 4.379 4.480 -0.082 0.000 0.266 215 M C 2.007 178.328 176.300 0.036 0.000 1.072 215 M CA 1.313 56.620 55.300 0.013 0.000 1.132 215 M CB -1.362 31.230 32.600 -0.013 0.000 1.386 215 M HN 0.240 nan 8.290 nan 0.000 0.432 216 T N 0.423 114.986 114.554 0.015 0.000 2.746 216 T HA -0.138 4.163 4.350 -0.082 0.000 0.267 216 T C 2.011 176.769 174.700 0.097 0.000 1.039 216 T CA 1.446 63.563 62.100 0.029 0.000 1.142 216 T CB -0.241 68.630 68.868 0.005 0.000 0.866 216 T HN 0.405 nan 8.240 nan 0.000 0.444 217 C N 1.090 120.430 119.300 0.066 0.000 2.486 217 C HA 0.186 4.597 4.460 -0.082 0.000 0.279 217 C C 3.059 178.087 174.990 0.064 0.000 1.302 217 C CA 0.131 59.187 59.018 0.064 0.000 1.720 217 C CB -1.382 26.375 27.740 0.029 0.000 2.030 217 C HN 0.689 nan 8.230 nan 0.000 0.490 218 G N -1.116 107.720 108.800 0.061 0.000 2.509 218 G HA2 -0.242 3.669 3.960 -0.082 0.000 0.218 218 G HA3 -0.242 3.669 3.960 -0.082 0.000 0.218 218 G C 1.285 176.243 174.900 0.097 0.000 1.124 218 G CA 0.559 45.695 45.100 0.060 0.000 0.776 218 G HN 0.620 nan 8.290 nan 0.000 0.547 219 Y N 1.366 121.672 120.300 0.010 0.000 2.274 219 Y HA -0.097 4.404 4.550 -0.081 0.000 0.290 219 Y C 2.034 177.949 175.900 0.024 0.000 1.145 219 Y CA 1.868 59.977 58.100 0.015 0.000 1.203 219 Y CB 0.223 38.682 38.460 -0.003 0.000 0.984 219 Y HN 0.202 nan 8.280 nan 0.000 0.533 220 D N -1.028 119.340 120.400 -0.053 0.000 2.277 220 D HA -0.027 4.564 4.640 -0.082 0.000 0.209 220 D C -0.157 176.077 176.300 -0.110 0.000 0.970 220 D CA 0.903 54.831 54.000 -0.120 0.000 0.874 220 D CB 0.174 40.980 40.800 0.009 0.000 0.982 220 D HN 0.271 nan 8.370 nan 0.000 0.504 221 D N -0.347 120.006 120.400 -0.079 0.000 2.358 221 D HA 0.020 4.611 4.640 -0.082 0.000 0.253 221 D C 0.756 176.982 176.300 -0.124 0.000 1.288 221 D CA -0.525 53.391 54.000 -0.139 0.000 0.950 221 D CB 0.410 41.142 40.800 -0.113 0.000 1.197 221 D HN 0.054 nan 8.370 nan 0.000 0.550 222 H N 2.057 121.100 119.070 -0.046 0.000 2.557 222 H HA 0.041 4.547 4.556 -0.082 0.000 0.287 222 H C 0.350 175.665 175.328 -0.022 0.000 1.043 222 H CA 0.961 56.990 56.048 -0.032 0.000 1.226 222 H CB -0.135 29.606 29.762 -0.035 0.000 1.361 222 H HN 0.174 nan 8.280 nan 0.000 0.592 223 N N 0.037 118.650 118.700 -0.144 0.000 2.449 223 N HA -0.032 4.659 4.740 -0.082 0.000 0.191 223 N C -0.258 175.232 175.510 -0.032 0.000 1.161 223 N CA 0.299 53.322 53.050 -0.046 0.000 0.863 223 N CB -0.152 38.265 38.487 -0.117 0.000 0.980 223 N HN 0.337 nan 8.380 nan 0.000 0.458 224 C N 1.880 121.163 119.300 -0.028 0.000 2.619 224 C HA 0.100 4.511 4.460 -0.082 0.000 0.389 224 C C 1.304 176.289 174.990 -0.008 0.000 1.314 224 C CA -0.113 58.888 59.018 -0.028 0.000 1.678 224 C CB -1.053 26.675 27.740 -0.019 0.000 2.398 224 C HN 0.403 nan 8.230 nan 0.000 0.582 225 E N 3.892 124.084 120.200 -0.013 0.000 2.562 225 E HA 0.313 4.614 4.350 -0.082 0.000 0.214 225 E C -0.305 176.314 176.600 0.031 0.000 0.979 225 E CA 0.176 56.584 56.400 0.013 0.000 1.002 225 E CB 0.534 30.253 29.700 0.030 0.000 1.048 225 E HN 0.698 nan 8.360 nan 0.000 0.488 226 I N 0.431 121.000 120.570 -0.003 0.000 2.608 226 I HA 0.465 4.586 4.170 -0.082 0.000 0.295 226 I C -0.100 175.994 176.117 -0.038 0.000 1.049 226 I CA -1.200 60.102 61.300 0.004 0.000 1.063 226 I CB 2.256 40.247 38.000 -0.014 0.000 1.248 226 I HN -0.110 nan 8.210 nan 0.000 0.424 227 G N 5.041 113.810 108.800 -0.052 0.000 2.544 227 G HA2 0.664 4.575 3.960 -0.082 0.000 0.313 227 G HA3 0.664 4.575 3.960 -0.082 0.000 0.313 227 G C -1.758 173.062 174.900 -0.133 0.000 1.316 227 G CA -0.339 44.712 45.100 -0.081 0.000 0.944 227 G HN 0.362 nan 8.290 nan 0.000 0.489 228 L N 3.314 124.462 121.223 -0.125 0.000 2.410 228 L HA 0.701 4.992 4.340 -0.082 0.000 0.270 228 L C -1.192 175.607 176.870 -0.118 0.000 0.983 228 L CA -0.931 53.826 54.840 -0.139 0.000 0.822 228 L CB 1.757 43.786 42.059 -0.050 0.000 1.285 228 L HN 0.346 nan 8.230 nan 0.000 0.409 229 I N 6.202 126.707 120.570 -0.108 0.000 2.418 229 I HA 0.420 4.541 4.170 -0.082 0.000 0.287 229 I C -0.856 175.269 176.117 0.013 0.000 1.008 229 I CA -0.575 60.688 61.300 -0.061 0.000 1.104 229 I CB 1.979 39.931 38.000 -0.080 0.000 1.264 229 I HN 0.303 nan 8.210 nan 0.000 0.438 230 V N 6.052 125.974 119.914 0.012 0.000 2.305 230 V HA 0.753 4.824 4.120 -0.082 0.000 0.275 230 V C 0.477 176.535 176.094 -0.061 0.000 1.020 230 V CA -0.195 62.099 62.300 -0.009 0.000 0.811 230 V CB 0.911 32.682 31.823 -0.088 0.000 1.031 230 V HN 1.005 nan 8.190 nan 0.000 0.439 231 G N 2.406 111.189 108.800 -0.029 0.000 3.354 231 G HA2 0.265 4.176 3.960 -0.082 0.000 0.174 231 G HA3 0.265 4.176 3.960 -0.082 0.000 0.174 231 G C 0.806 175.695 174.900 -0.019 0.000 1.140 231 G CA 0.680 45.763 45.100 -0.029 0.000 0.897 231 G HN 0.300 nan 8.290 nan 0.000 0.685 232 T N 0.585 115.131 114.554 -0.012 0.000 2.720 232 T HA 0.162 4.463 4.350 -0.082 0.000 0.268 232 T C 1.221 175.926 174.700 0.009 0.000 1.037 232 T CA 1.702 63.790 62.100 -0.020 0.000 1.144 232 T CB -0.452 68.418 68.868 0.003 0.000 0.864 232 T HN 0.700 nan 8.240 nan 0.000 0.444 233 G N -0.429 108.399 108.800 0.046 0.000 3.016 233 G HA2 0.589 4.500 3.960 -0.082 0.000 0.270 233 G HA3 0.589 4.500 3.960 -0.082 0.000 0.270 233 G C -1.280 173.693 174.900 0.122 0.000 1.352 233 G CA -0.456 44.721 45.100 0.129 0.000 1.060 233 G HN 0.228 nan 8.290 nan 0.000 0.538 234 S N -0.758 115.060 115.700 0.198 0.000 2.541 234 S HA 0.698 5.119 4.470 -0.082 0.000 0.280 234 S C -1.058 173.712 174.600 0.283 0.000 1.112 234 S CA -0.715 57.638 58.200 0.256 0.000 0.925 234 S CB 1.802 65.239 63.200 0.394 0.000 1.067 234 S HN 0.871 nan 8.310 nan 0.000 0.479 235 N N 1.056 119.728 118.700 -0.047 0.000 3.185 235 N HA 0.752 5.443 4.740 -0.082 0.000 0.238 235 N C -2.023 172.924 175.510 -0.938 0.000 1.451 235 N CA 0.110 52.811 53.050 -0.581 0.000 0.888 235 N CB 1.600 39.950 38.487 -0.229 0.000 1.413 235 N HN 0.996 nan 8.380 nan 0.000 0.511 236 A N -0.082 122.093 122.820 -1.077 0.000 2.589 236 A HA 0.624 4.895 4.320 -0.082 0.000 0.296 236 A C -0.579 176.797 177.584 -0.346 0.000 1.062 236 A CA -0.488 51.094 52.037 -0.758 0.000 0.686 236 A CB -0.164 18.139 19.000 -1.162 0.000 1.282 236 A HN 1.204 nan 8.150 nan 0.000 0.404 237 C N 0.068 119.274 119.300 -0.156 0.000 2.505 237 C HA 1.073 5.484 4.460 -0.082 0.000 0.358 237 C C -0.521 174.548 174.990 0.132 0.000 1.226 237 C CA -0.826 58.187 59.018 -0.008 0.000 1.900 237 C CB 0.462 28.168 27.740 -0.057 0.000 2.306 237 C HN 1.692 nan 8.230 nan 0.000 0.512 238 Y N -0.919 119.350 120.300 -0.052 0.000 2.638 238 Y HA 0.694 5.195 4.550 -0.082 0.000 0.335 238 Y C -0.877 175.006 175.900 -0.028 0.000 1.155 238 Y CA -1.542 56.538 58.100 -0.034 0.000 1.046 238 Y CB 1.031 39.488 38.460 -0.006 0.000 1.303 238 Y HN 0.602 nan 8.280 nan 0.000 0.460 239 M N 3.225 122.769 119.600 -0.093 0.000 2.156 239 M HA 0.274 4.705 4.480 -0.082 0.000 0.345 239 M C -0.620 175.573 176.300 -0.178 0.000 1.398 239 M CA 0.122 55.322 55.300 -0.165 0.000 1.148 239 M CB 0.363 32.937 32.600 -0.043 0.000 1.663 239 M HN 0.835 nan 8.290 nan 0.000 0.464 240 E N 2.547 122.551 120.200 -0.328 0.000 2.235 240 E HA 0.336 4.637 4.350 -0.082 0.000 0.265 240 E C -0.806 175.759 176.600 -0.059 0.000 0.940 240 E CA -0.460 55.842 56.400 -0.163 0.000 0.819 240 E CB 1.179 30.691 29.700 -0.313 0.000 1.206 240 E HN 0.346 nan 8.360 nan 0.000 0.409 241 E N 3.753 123.984 120.200 0.053 0.000 2.344 241 E HA 0.025 4.326 4.350 -0.082 0.000 0.270 241 E C 0.829 177.383 176.600 -0.077 0.000 1.021 241 E CA -0.105 56.284 56.400 -0.018 0.000 0.887 241 E CB 0.578 30.254 29.700 -0.039 0.000 0.997 241 E HN 0.661 nan 8.360 nan 0.000 0.429 242 M N 2.279 121.816 119.600 -0.106 0.000 2.346 242 M HA -0.194 4.237 4.480 -0.082 0.000 0.263 242 M C 1.763 177.989 176.300 -0.123 0.000 1.064 242 M CA 1.473 56.703 55.300 -0.116 0.000 1.083 242 M CB -0.624 31.912 32.600 -0.108 0.000 1.399 242 M HN 0.441 nan 8.290 nan 0.000 0.435 243 R N -1.417 118.969 120.500 -0.189 0.000 2.236 243 R HA -0.090 4.201 4.340 -0.082 0.000 0.208 243 R C 1.101 177.265 176.300 -0.226 0.000 1.036 243 R CA 1.010 56.973 56.100 -0.228 0.000 1.001 243 R CB -0.453 29.663 30.300 -0.306 0.000 0.896 243 R HN 0.405 nan 8.270 nan 0.000 0.464 244 H N 0.617 119.665 119.070 -0.036 0.000 2.575 244 H HA 0.299 4.805 4.556 -0.082 0.000 0.267 244 H C 0.308 175.610 175.328 -0.044 0.000 0.966 244 H CA -0.096 55.935 56.048 -0.029 0.000 1.165 244 H CB 0.514 30.269 29.762 -0.012 0.000 1.433 244 H HN 0.107 nan 8.280 nan 0.000 0.544 245 I N 2.235 122.819 120.570 0.023 0.000 2.256 245 I HA 0.003 4.124 4.170 -0.082 0.000 0.294 245 I C 0.554 176.642 176.117 -0.048 0.000 1.127 245 I CA -0.185 61.092 61.300 -0.038 0.000 1.247 245 I CB 0.847 38.781 38.000 -0.110 0.000 1.460 245 I HN -0.159 nan 8.210 nan 0.000 0.511 246 D N 4.463 124.846 120.400 -0.029 0.000 2.218 246 D HA -0.111 4.480 4.640 -0.082 0.000 0.204 246 D C 1.798 178.066 176.300 -0.054 0.000 0.976 246 D CA 1.433 55.414 54.000 -0.032 0.000 0.853 246 D CB 0.176 40.964 40.800 -0.019 0.000 0.939 246 D HN 0.416 nan 8.370 nan 0.000 0.481 247 M N 0.188 119.737 119.600 -0.085 0.000 2.561 247 M HA 0.098 4.529 4.480 -0.082 0.000 0.238 247 M C -0.209 176.063 176.300 -0.048 0.000 1.131 247 M CA 0.236 55.478 55.300 -0.096 0.000 1.046 247 M CB 0.304 32.791 32.600 -0.190 0.000 1.532 247 M HN -0.280 nan 8.290 nan 0.000 0.497 248 V N -0.353 119.524 119.914 -0.062 0.000 2.482 248 V HA 0.119 4.190 4.120 -0.082 0.000 0.295 248 V C -0.040 176.032 176.094 -0.038 0.000 1.026 248 V CA -1.006 61.267 62.300 -0.045 0.000 0.856 248 V CB 2.160 33.867 31.823 -0.192 0.000 1.001 248 V HN 0.097 nan 8.190 nan 0.000 0.424 249 E N 2.712 122.913 120.200 0.002 0.000 2.480 249 E HA 0.480 4.781 4.350 -0.082 0.000 0.258 249 E C 0.425 177.019 176.600 -0.010 0.000 0.984 249 E CA 0.765 57.165 56.400 -0.001 0.000 0.930 249 E CB 0.633 30.343 29.700 0.016 0.000 0.936 249 E HN 1.697 nan 8.360 nan 0.000 0.466 250 G N 3.094 111.880 108.800 -0.023 0.000 2.326 250 G HA2 0.141 4.052 3.960 -0.082 0.000 0.478 250 G HA3 0.141 4.052 3.960 -0.082 0.000 0.478 250 G C -0.487 174.383 174.900 -0.050 0.000 1.551 250 G CA 0.058 45.140 45.100 -0.030 0.000 0.946 250 G HN 0.639 nan 8.290 nan 0.000 0.671 251 D N -1.165 119.206 120.400 -0.048 0.000 2.539 251 D HA 0.104 4.695 4.640 -0.082 0.000 0.232 251 D C 0.392 176.651 176.300 -0.068 0.000 1.256 251 D CA 0.311 54.270 54.000 -0.068 0.000 0.810 251 D CB 0.236 40.999 40.800 -0.061 0.000 1.090 251 D HN 0.716 nan 8.370 nan 0.000 0.519 252 E N 1.062 121.232 120.200 -0.051 0.000 2.133 252 E HA 0.489 4.790 4.350 -0.082 0.000 0.274 252 E C 0.747 177.321 176.600 -0.044 0.000 0.930 252 E CA -0.549 55.827 56.400 -0.039 0.000 0.770 252 E CB 1.640 31.330 29.700 -0.017 0.000 1.104 252 E HN 0.151 nan 8.360 nan 0.000 0.403 253 G N 3.625 112.399 108.800 -0.043 0.000 2.539 253 G HA2 -0.276 3.635 3.960 -0.082 0.000 0.256 253 G HA3 -0.276 3.635 3.960 -0.082 0.000 0.256 253 G C -0.465 174.400 174.900 -0.058 0.000 1.233 253 G CA -0.113 44.962 45.100 -0.042 0.000 0.936 253 G HN 0.670 nan 8.290 nan 0.000 0.571 254 R N -1.048 119.415 120.500 -0.062 0.000 2.867 254 R HA 0.806 5.097 4.340 -0.082 0.000 0.268 254 R C -0.212 176.020 176.300 -0.112 0.000 1.014 254 R CA -0.829 55.224 56.100 -0.079 0.000 0.946 254 R CB 2.029 32.296 30.300 -0.055 0.000 1.208 254 R HN 0.784 nan 8.270 nan 0.000 0.477 255 M N 0.679 120.187 119.600 -0.154 0.000 2.413 255 M HA 0.241 4.672 4.480 -0.082 0.000 0.287 255 M C -1.430 174.733 176.300 -0.227 0.000 1.186 255 M CA -0.625 54.559 55.300 -0.192 0.000 0.927 255 M CB 2.167 34.606 32.600 -0.268 0.000 1.715 255 M HN 0.782 nan 8.290 nan 0.000 0.478 256 C N 5.360 124.544 119.300 -0.193 0.000 2.648 256 C HA 0.400 4.811 4.460 -0.082 0.000 0.415 256 C C -0.163 174.688 174.990 -0.231 0.000 1.366 256 C CA -0.310 58.587 59.018 -0.201 0.000 1.756 256 C CB -0.909 26.760 27.740 -0.119 0.000 2.549 256 C HN 0.588 nan 8.230 nan 0.000 0.597 257 I N 6.796 127.172 120.570 -0.323 0.000 2.330 257 I HA 0.201 4.322 4.170 -0.082 0.000 0.289 257 I C 0.252 176.304 176.117 -0.109 0.000 1.001 257 I CA -0.052 61.104 61.300 -0.240 0.000 1.193 257 I CB 0.875 38.667 38.000 -0.347 0.000 1.345 257 I HN 0.699 nan 8.210 nan 0.000 0.461 258 N N 6.997 125.671 118.700 -0.044 0.000 2.400 258 N HA 0.129 4.820 4.740 -0.082 0.000 0.267 258 N C 0.827 176.367 175.510 0.049 0.000 1.208 258 N CA 0.166 53.212 53.050 -0.007 0.000 0.951 258 N CB 0.675 39.160 38.487 -0.004 0.000 1.227 258 N HN 0.513 nan 8.380 nan 0.000 0.488 259 M N 1.341 120.995 119.600 0.091 0.000 2.296 259 M HA -0.026 4.405 4.480 -0.082 0.000 0.265 259 M C -0.027 176.386 176.300 0.187 0.000 1.064 259 M CA 0.727 56.137 55.300 0.183 0.000 1.109 259 M CB -0.138 32.656 32.600 0.323 0.000 1.396 259 M HN 0.432 nan 8.290 nan 0.000 0.430 260 E N 0.315 120.593 120.200 0.130 0.000 2.230 260 E HA -0.224 4.077 4.350 -0.082 0.000 0.206 260 E C 0.027 176.825 176.600 0.331 0.000 1.309 260 E CA 0.786 57.289 56.400 0.171 0.000 0.697 260 E CB -1.494 28.294 29.700 0.148 0.000 1.146 260 E HN 0.803 nan 8.360 nan 0.000 0.363 261 W N -0.492 120.937 121.300 0.214 0.000 2.800 261 W HA 0.276 4.886 4.660 -0.083 0.000 0.249 261 W C 1.511 178.225 176.519 0.325 0.000 1.294 261 W CA 0.504 57.999 57.345 0.249 0.000 1.402 261 W CB -1.049 28.498 29.460 0.145 0.000 1.126 261 W HN 0.157 nan 8.180 nan 0.000 0.652 262 G N 1.143 110.414 108.800 0.785 0.000 2.501 262 G HA2 -0.060 3.850 3.960 -0.082 0.000 0.220 262 G HA3 -0.060 3.850 3.960 -0.082 0.000 0.220 262 G C 1.528 176.689 174.900 0.435 0.000 1.114 262 G CA 1.210 46.675 45.100 0.609 0.000 0.757 262 G HN 0.471 nan 8.290 nan 0.000 0.559 263 A N -0.288 122.756 122.820 0.373 0.000 2.387 263 A HA 0.500 4.771 4.320 -0.082 0.000 0.234 263 A C 0.559 178.317 177.584 0.291 0.000 1.253 263 A CA -0.848 51.351 52.037 0.269 0.000 0.894 263 A CB -0.276 18.848 19.000 0.206 0.000 0.963 263 A HN 0.341 nan 8.150 nan 0.000 0.508 264 F N 0.740 120.767 119.950 0.128 0.000 2.607 264 F HA 0.321 4.798 4.527 -0.083 0.000 0.374 264 F C 1.440 177.261 175.800 0.034 0.000 1.104 264 F CA 1.083 59.089 58.000 0.010 0.000 1.296 264 F CB 0.535 39.355 39.000 -0.300 0.000 1.085 264 F HN 0.408 nan 8.300 nan 0.000 0.584 265 G N 3.968 112.793 108.800 0.042 0.000 2.205 265 G HA2 -0.368 3.543 3.960 -0.082 0.000 0.261 265 G HA3 -0.368 3.543 3.960 -0.082 0.000 0.261 265 G C 0.636 175.530 174.900 -0.010 0.000 0.980 265 G CA 0.416 45.440 45.100 -0.128 0.000 0.632 265 G HN 0.704 nan 8.290 nan 0.000 0.533 266 D N 1.311 121.746 120.400 0.059 0.000 2.311 266 D HA 0.007 4.598 4.640 -0.082 0.000 0.212 266 D C 1.903 178.223 176.300 0.034 0.000 0.972 266 D CA 1.504 55.534 54.000 0.051 0.000 0.887 266 D CB -0.191 40.656 40.800 0.078 0.000 0.915 266 D HN 0.712 nan 8.370 nan 0.000 0.497 267 D N -1.547 118.874 120.400 0.036 0.000 2.328 267 D HA 0.174 4.764 4.640 -0.082 0.000 0.221 267 D C 1.456 177.760 176.300 0.007 0.000 1.072 267 D CA 0.472 54.485 54.000 0.023 0.000 0.850 267 D CB -0.025 40.793 40.800 0.030 0.000 0.922 267 D HN 0.156 nan 8.370 nan 0.000 0.516 268 G N 0.460 109.255 108.800 -0.009 0.000 2.176 268 G HA2 -0.338 3.573 3.960 -0.082 0.000 0.232 268 G HA3 -0.338 3.573 3.960 -0.082 0.000 0.232 268 G C 1.106 175.984 174.900 -0.037 0.000 0.986 268 G CA 0.535 45.620 45.100 -0.025 0.000 0.643 268 G HN 0.593 nan 8.290 nan 0.000 0.522 269 S N -0.583 115.096 115.700 -0.036 0.000 2.555 269 S HA 0.289 4.710 4.470 -0.082 0.000 0.230 269 S C 1.556 176.097 174.600 -0.099 0.000 0.978 269 S CA 1.214 59.397 58.200 -0.030 0.000 0.934 269 S CB -0.053 63.179 63.200 0.054 0.000 0.766 269 S HN 0.640 nan 8.310 nan 0.000 0.533 270 L N 0.514 121.643 121.223 -0.156 0.000 3.229 270 L HA 0.397 4.688 4.340 -0.082 0.000 0.286 270 L C 0.953 177.754 176.870 -0.114 0.000 1.239 270 L CA -0.275 54.455 54.840 -0.183 0.000 1.035 270 L CB 0.007 41.871 42.059 -0.324 0.000 1.408 270 L HN 0.071 nan 8.230 nan 0.000 0.593 271 N N 1.231 119.880 118.700 -0.085 0.000 2.381 271 N HA -0.157 4.534 4.740 -0.082 0.000 0.182 271 N C 1.446 176.912 175.510 -0.074 0.000 1.025 271 N CA 1.453 54.459 53.050 -0.073 0.000 0.888 271 N CB 0.094 38.546 38.487 -0.058 0.000 0.965 271 N HN 0.506 nan 8.380 nan 0.000 0.438 272 D N -0.258 120.103 120.400 -0.066 0.000 2.277 272 D HA -0.074 4.517 4.640 -0.082 0.000 0.208 272 D C 1.554 177.815 176.300 -0.065 0.000 0.962 272 D CA 0.414 54.376 54.000 -0.063 0.000 0.865 272 D CB -0.107 40.670 40.800 -0.038 0.000 0.939 272 D HN 0.127 nan 8.370 nan 0.000 0.510 273 I N 0.214 120.745 120.570 -0.064 0.000 2.585 273 I HA 0.072 4.193 4.170 -0.082 0.000 0.254 273 I C 1.190 177.271 176.117 -0.060 0.000 1.129 273 I CA 0.108 61.376 61.300 -0.054 0.000 1.455 273 I CB -0.763 37.202 38.000 -0.059 0.000 1.111 273 I HN -0.096 nan 8.210 nan 0.000 0.433 274 R N 1.323 121.780 120.500 -0.072 0.000 2.594 274 R HA 0.191 4.482 4.340 -0.082 0.000 0.272 274 R C 0.599 176.858 176.300 -0.068 0.000 1.074 274 R CA 0.159 56.222 56.100 -0.063 0.000 1.105 274 R CB 0.577 30.837 30.300 -0.067 0.000 1.008 274 R HN 0.300 nan 8.270 nan 0.000 0.472 275 T N -2.700 111.833 114.554 -0.036 0.000 2.922 275 T HA 0.105 4.406 4.350 -0.082 0.000 0.281 275 T C 1.200 175.839 174.700 -0.101 0.000 1.005 275 T CA -0.846 61.224 62.100 -0.050 0.000 0.982 275 T CB 1.309 70.226 68.868 0.082 0.000 1.158 275 T HN 0.732 nan 8.240 nan 0.000 0.566 276 E N 0.003 120.062 120.200 -0.234 0.000 2.204 276 E HA -0.139 4.162 4.350 -0.082 0.000 0.195 276 E C 1.248 177.669 176.600 -0.297 0.000 0.990 276 E CA 1.158 57.366 56.400 -0.320 0.000 0.821 276 E CB -0.576 28.841 29.700 -0.470 0.000 0.750 276 E HN 0.648 nan 8.360 nan 0.000 0.477 277 F N 2.210 122.136 119.950 -0.041 0.000 2.259 277 F HA -0.027 4.450 4.527 -0.083 0.000 0.298 277 F C 2.042 177.823 175.800 -0.032 0.000 1.088 277 F CA 1.033 59.017 58.000 -0.027 0.000 1.358 277 F CB -0.128 38.857 39.000 -0.024 0.000 1.040 277 F HN -0.039 nan 8.300 nan 0.000 0.505 278 D N -0.122 120.350 120.400 0.121 0.000 2.123 278 D HA -0.180 4.411 4.640 -0.082 0.000 0.200 278 D C 2.147 178.444 176.300 -0.005 0.000 0.976 278 D CA 0.902 54.922 54.000 0.033 0.000 0.831 278 D CB -0.465 40.331 40.800 -0.005 0.000 0.974 278 D HN 0.349 nan 8.370 nan 0.000 0.469 279 Q N 0.779 120.565 119.800 -0.024 0.000 2.152 279 Q HA -0.222 4.069 4.340 -0.082 0.000 0.206 279 Q C 1.958 177.948 176.000 -0.018 0.000 0.985 279 Q CA 1.567 57.348 55.803 -0.036 0.000 0.863 279 Q CB 0.097 28.797 28.738 -0.064 0.000 0.904 279 Q HN 0.283 nan 8.270 nan 0.000 0.422 280 E N -0.514 119.685 120.200 -0.001 0.000 2.122 280 E HA -0.124 4.177 4.350 -0.082 0.000 0.190 280 E C 1.939 178.567 176.600 0.047 0.000 0.977 280 E CA 0.435 56.848 56.400 0.021 0.000 0.820 280 E CB 0.081 29.801 29.700 0.032 0.000 0.770 280 E HN 0.344 nan 8.360 nan 0.000 0.462 281 I N 2.173 122.780 120.570 0.061 0.000 2.194 281 I HA -0.282 3.839 4.170 -0.082 0.000 0.246 281 I C 2.156 178.297 176.117 0.040 0.000 1.093 281 I CA 1.668 63.009 61.300 0.069 0.000 1.355 281 I CB -0.993 37.038 38.000 0.051 0.000 1.046 281 I HN 0.271 nan 8.210 nan 0.000 0.413 282 D N 0.352 120.752 120.400 0.000 0.000 2.097 282 D HA -0.194 4.397 4.640 -0.082 0.000 0.195 282 D C 2.244 178.557 176.300 0.021 0.000 0.989 282 D CA 1.264 55.260 54.000 -0.006 0.000 0.827 282 D CB 0.051 40.838 40.800 -0.022 0.000 0.966 282 D HN 0.036 nan 8.370 nan 0.000 0.456 283 M N -0.143 119.469 119.600 0.020 0.000 2.213 283 M HA 0.011 4.442 4.480 -0.082 0.000 0.263 283 M C 2.194 178.516 176.300 0.038 0.000 1.062 283 M CA 1.288 56.603 55.300 0.024 0.000 1.105 283 M CB -1.198 31.412 32.600 0.016 0.000 1.385 283 M HN 0.158 nan 8.290 nan 0.000 0.417 284 G N -0.022 108.808 108.800 0.051 0.000 2.920 284 G HA2 0.047 3.958 3.960 -0.082 0.000 0.208 284 G HA3 0.047 3.958 3.960 -0.082 0.000 0.208 284 G C 0.645 175.593 174.900 0.080 0.000 1.159 284 G CA 0.284 45.422 45.100 0.063 0.000 0.784 284 G HN 0.545 nan 8.290 nan 0.000 0.535 285 S N -0.513 115.240 115.700 0.089 0.000 2.652 285 S HA 0.376 4.797 4.470 -0.082 0.000 0.270 285 S C 1.026 175.688 174.600 0.102 0.000 1.243 285 S CA -0.726 57.549 58.200 0.126 0.000 0.999 285 S CB 1.750 65.034 63.200 0.140 0.000 0.973 285 S HN -0.054 nan 8.310 nan 0.000 0.544 286 L N 0.769 122.063 121.223 0.118 0.000 2.291 286 L HA 0.160 4.451 4.340 -0.082 0.000 0.214 286 L C 0.448 177.380 176.870 0.104 0.000 1.120 286 L CA 1.173 56.067 54.840 0.091 0.000 0.799 286 L CB -0.718 41.387 42.059 0.077 0.000 0.925 286 L HN 0.924 nan 8.230 nan 0.000 0.446 287 N N -0.641 118.136 118.700 0.129 0.000 2.813 287 N HA 0.297 4.988 4.740 -0.082 0.000 0.282 287 N C -3.025 172.545 175.510 0.099 0.000 1.748 287 N CA -1.947 51.180 53.050 0.129 0.000 0.860 287 N CB 0.061 38.652 38.487 0.174 0.000 1.204 287 N HN 0.060 nan 8.380 nan 0.000 0.490 288 P HA 0.226 nan 4.420 nan 0.000 0.271 288 P C 0.988 178.316 177.300 0.046 0.000 1.216 288 P CA 0.838 63.969 63.100 0.052 0.000 0.776 288 P CB 0.984 32.710 31.700 0.044 0.000 0.881 289 G N 1.618 110.437 108.800 0.032 0.000 2.268 289 G HA2 -0.177 3.734 3.960 -0.082 0.000 0.240 289 G HA3 -0.177 3.734 3.960 -0.082 0.000 0.240 289 G C 0.073 174.997 174.900 0.040 0.000 1.010 289 G CA -0.039 45.079 45.100 0.029 0.000 0.618 289 G HN 0.564 nan 8.290 nan 0.000 0.516 290 K N 0.508 120.941 120.400 0.056 0.000 2.203 290 K HA 0.633 4.904 4.320 -0.082 0.000 0.251 290 K C 0.592 177.239 176.600 0.079 0.000 0.944 290 K CA -0.667 55.669 56.287 0.080 0.000 0.829 290 K CB 1.259 33.823 32.500 0.107 0.000 1.125 290 K HN 0.282 nan 8.250 nan 0.000 0.430 291 Q N 1.346 121.212 119.800 0.111 0.000 2.478 291 Q HA -0.188 4.103 4.340 -0.082 0.000 0.286 291 Q C 0.717 176.753 176.000 0.060 0.000 1.299 291 Q CA 0.363 56.245 55.803 0.131 0.000 0.826 291 Q CB -2.091 26.741 28.738 0.158 0.000 1.199 291 Q HN 0.653 nan 8.270 nan 0.000 0.451 292 L N -1.598 119.661 121.223 0.060 0.000 2.156 292 L HA -0.094 4.197 4.340 -0.082 0.000 0.208 292 L C 2.041 178.921 176.870 0.017 0.000 1.095 292 L CA 1.255 56.093 54.840 -0.003 0.000 0.770 292 L CB -0.398 41.657 42.059 -0.006 0.000 0.914 292 L HN 0.266 nan 8.230 nan 0.000 0.439 293 F N 1.395 121.307 119.950 -0.063 0.000 2.113 293 F HA -0.228 4.249 4.527 -0.083 0.000 0.297 293 F C 2.565 178.349 175.800 -0.027 0.000 1.103 293 F CA 1.902 59.854 58.000 -0.079 0.000 1.248 293 F CB -0.183 38.803 39.000 -0.023 0.000 0.999 293 F HN 0.072 nan 8.300 nan 0.000 0.475 294 E N 0.362 120.628 120.200 0.110 0.000 2.070 294 E HA -0.300 4.001 4.350 -0.082 0.000 0.197 294 E C 2.111 178.668 176.600 -0.071 0.000 1.004 294 E CA 1.882 58.329 56.400 0.079 0.000 0.805 294 E CB -0.189 29.637 29.700 0.209 0.000 0.744 294 E HN 0.411 nan 8.360 nan 0.000 0.451 295 K N -0.419 119.817 120.400 -0.273 0.000 2.280 295 K HA -0.078 4.193 4.320 -0.082 0.000 0.202 295 K C 1.934 178.379 176.600 -0.258 0.000 1.047 295 K CA 1.207 57.125 56.287 -0.615 0.000 0.942 295 K CB -0.017 32.101 32.500 -0.637 0.000 0.739 295 K HN 0.312 nan 8.250 nan 0.000 0.457 296 M N -0.365 119.120 119.600 -0.192 0.000 2.595 296 M HA 0.016 4.447 4.480 -0.082 0.000 0.248 296 M C 1.407 177.627 176.300 -0.133 0.000 1.119 296 M CA 1.105 56.309 55.300 -0.161 0.000 1.079 296 M CB 0.250 32.712 32.600 -0.229 0.000 1.472 296 M HN 0.143 nan 8.290 nan 0.000 0.501 297 I N -2.088 118.424 120.570 -0.096 0.000 4.046 297 I HA 0.027 4.147 4.170 -0.082 0.000 0.285 297 I C 1.131 177.285 176.117 0.062 0.000 1.183 297 I CA -0.070 61.203 61.300 -0.045 0.000 1.337 297 I CB 0.520 38.444 38.000 -0.125 0.000 1.478 297 I HN 0.064 nan 8.210 nan 0.000 0.452 298 S N 0.795 116.582 115.700 0.145 0.000 2.614 298 S HA 0.263 4.684 4.470 -0.082 0.000 0.265 298 S C 1.248 175.910 174.600 0.105 0.000 1.303 298 S CA 0.085 58.372 58.200 0.146 0.000 1.000 298 S CB 1.278 64.607 63.200 0.216 0.000 0.935 298 S HN 0.325 nan 8.310 nan 0.000 0.551 299 G N 0.224 109.031 108.800 0.011 0.000 2.509 299 G HA2 -0.133 3.778 3.960 -0.082 0.000 0.218 299 G HA3 -0.133 3.778 3.960 -0.082 0.000 0.218 299 G C 1.142 175.997 174.900 -0.074 0.000 1.124 299 G CA 0.527 45.615 45.100 -0.020 0.000 0.776 299 G HN 0.753 nan 8.290 nan 0.000 0.547 300 M N -0.860 118.614 119.600 -0.210 0.000 2.476 300 M HA 0.100 4.531 4.480 -0.082 0.000 0.262 300 M C 1.337 177.332 176.300 -0.508 0.000 1.079 300 M CA 1.120 56.148 55.300 -0.453 0.000 1.104 300 M CB 0.160 32.300 32.600 -0.766 0.000 1.409 300 M HN 0.363 nan 8.290 nan 0.000 0.467 301 Y N -2.268 118.055 120.300 0.039 0.000 2.526 301 Y HA 0.206 4.706 4.550 -0.084 0.000 0.265 301 Y C 1.958 177.874 175.900 0.028 0.000 1.092 301 Y CA 0.071 58.192 58.100 0.035 0.000 1.277 301 Y CB -0.318 38.160 38.460 0.029 0.000 1.228 301 Y HN 0.038 nan 8.280 nan 0.000 0.507 302 M N 0.063 119.758 119.600 0.158 0.000 2.080 302 M HA -0.152 4.279 4.480 -0.082 0.000 0.260 302 M C 2.392 178.740 176.300 0.079 0.000 1.068 302 M CA 2.122 57.483 55.300 0.101 0.000 1.109 302 M CB -0.610 32.040 32.600 0.084 0.000 1.342 302 M HN 0.476 nan 8.290 nan 0.000 0.405 303 G N -0.471 108.404 108.800 0.125 0.000 2.459 303 G HA2 -0.299 3.612 3.960 -0.082 0.000 0.217 303 G HA3 -0.299 3.612 3.960 -0.082 0.000 0.217 303 G C 1.207 176.169 174.900 0.104 0.000 1.183 303 G CA 1.444 46.671 45.100 0.212 0.000 0.776 303 G HN 0.471 nan 8.290 nan 0.000 0.552 304 E N -0.193 120.069 120.200 0.103 0.000 2.118 304 E HA -0.112 4.189 4.350 -0.082 0.000 0.195 304 E C 2.327 178.939 176.600 0.020 0.000 0.992 304 E CA 0.619 57.065 56.400 0.076 0.000 0.804 304 E CB -0.388 29.379 29.700 0.112 0.000 0.741 304 E HN 0.264 nan 8.360 nan 0.000 0.458 305 L N -0.402 120.831 121.223 0.017 0.000 2.042 305 L HA -0.145 4.146 4.340 -0.082 0.000 0.210 305 L C 2.268 179.036 176.870 -0.170 0.000 1.076 305 L CA 1.380 56.202 54.840 -0.031 0.000 0.749 305 L CB -0.582 41.466 42.059 -0.019 0.000 0.893 305 L HN 0.130 nan 8.230 nan 0.000 0.432 306 V N -0.816 118.948 119.914 -0.250 0.000 2.453 306 V HA -0.216 3.855 4.120 -0.082 0.000 0.247 306 V C 2.685 178.473 176.094 -0.510 0.000 1.048 306 V CA 1.607 63.632 62.300 -0.458 0.000 1.049 306 V CB -0.636 30.791 31.823 -0.660 0.000 0.672 306 V HN 0.454 nan 8.190 nan 0.000 0.457 307 R N -0.036 120.220 120.500 -0.407 0.000 2.091 307 R HA -0.161 4.130 4.340 -0.082 0.000 0.238 307 R C 2.238 178.509 176.300 -0.049 0.000 1.136 307 R CA 1.716 57.721 56.100 -0.158 0.000 0.959 307 R CB -0.291 30.026 30.300 0.028 0.000 0.856 307 R HN 0.440 nan 8.270 nan 0.000 0.437 308 L N 0.189 121.400 121.223 -0.020 0.000 2.201 308 L HA -0.132 4.159 4.340 -0.082 0.000 0.212 308 L C 2.266 179.200 176.870 0.107 0.000 1.105 308 L CA 0.869 55.769 54.840 0.100 0.000 0.775 308 L CB -0.180 41.998 42.059 0.199 0.000 0.913 308 L HN 0.253 nan 8.230 nan 0.000 0.440 309 I N -0.650 119.806 120.570 -0.190 0.000 2.286 309 I HA -0.251 3.870 4.170 -0.082 0.000 0.245 309 I C 2.311 178.393 176.117 -0.058 0.000 1.104 309 I CA 1.008 62.097 61.300 -0.352 0.000 1.397 309 I CB -0.132 37.524 38.000 -0.574 0.000 1.072 309 I HN 0.165 nan 8.210 nan 0.000 0.417 310 L N -0.120 121.064 121.223 -0.065 0.000 1.994 310 L HA -0.207 4.084 4.340 -0.082 0.000 0.208 310 L C 2.649 179.594 176.870 0.126 0.000 1.071 310 L CA 1.152 56.016 54.840 0.039 0.000 0.745 310 L CB -0.766 41.355 42.059 0.105 0.000 0.892 310 L HN 0.056 nan 8.230 nan 0.000 0.431 311 V N 0.241 120.235 119.914 0.133 0.000 2.282 311 V HA -0.361 3.710 4.120 -0.082 0.000 0.249 311 V C 2.640 178.827 176.094 0.155 0.000 1.057 311 V CA 2.180 64.572 62.300 0.153 0.000 1.032 311 V CB -0.564 31.337 31.823 0.130 0.000 0.645 311 V HN 0.466 nan 8.190 nan 0.000 0.447 312 K N -0.665 119.855 120.400 0.200 0.000 2.057 312 K HA -0.168 4.103 4.320 -0.082 0.000 0.207 312 K C 2.203 178.906 176.600 0.171 0.000 1.049 312 K CA 1.739 58.163 56.287 0.228 0.000 0.931 312 K CB -0.169 32.570 32.500 0.399 0.000 0.714 312 K HN 0.377 nan 8.250 nan 0.000 0.440 313 M N 0.137 119.803 119.600 0.111 0.000 2.159 313 M HA -0.122 4.309 4.480 -0.082 0.000 0.263 313 M C 2.290 178.539 176.300 -0.085 0.000 1.063 313 M CA 1.531 56.785 55.300 -0.078 0.000 1.110 313 M CB -0.168 32.290 32.600 -0.236 0.000 1.374 313 M HN 0.288 nan 8.290 nan 0.000 0.411 314 A N 0.315 123.127 122.820 -0.013 0.000 1.930 314 A HA -0.145 4.126 4.320 -0.082 0.000 0.217 314 A C 2.063 179.689 177.584 0.070 0.000 1.175 314 A CA 1.519 53.587 52.037 0.052 0.000 0.627 314 A CB -0.413 18.749 19.000 0.271 0.000 0.815 314 A HN 0.390 nan 8.150 nan 0.000 0.443 315 K N -0.314 120.133 120.400 0.078 0.000 2.148 315 K HA -0.095 4.175 4.320 -0.082 0.000 0.204 315 K C 1.560 178.188 176.600 0.047 0.000 1.050 315 K CA 1.412 57.739 56.287 0.067 0.000 0.942 315 K CB -0.069 32.475 32.500 0.074 0.000 0.724 315 K HN 0.570 nan 8.250 nan 0.000 0.446 316 E N 0.526 120.749 120.200 0.039 0.000 2.502 316 E HA -0.060 4.241 4.350 -0.082 0.000 0.194 316 E C -0.698 175.898 176.600 -0.008 0.000 1.062 316 E CA 0.107 56.522 56.400 0.025 0.000 0.867 316 E CB 0.262 29.989 29.700 0.044 0.000 0.888 316 E HN 0.190 nan 8.360 nan 0.000 0.510 317 E N -0.923 119.267 120.200 -0.017 0.000 2.553 317 E HA -0.220 4.081 4.350 -0.082 0.000 0.264 317 E C 0.040 176.593 176.600 -0.077 0.000 1.068 317 E CA -0.054 56.328 56.400 -0.030 0.000 0.774 317 E CB -1.181 28.513 29.700 -0.011 0.000 1.349 317 E HN 0.158 nan 8.360 nan 0.000 0.404 318 L N -0.595 120.545 121.223 -0.138 0.000 2.638 318 L HA 0.331 4.622 4.340 -0.082 0.000 0.232 318 L C 0.476 177.183 176.870 -0.271 0.000 1.099 318 L CA 0.771 55.491 54.840 -0.199 0.000 0.883 318 L CB 0.529 42.422 42.059 -0.277 0.000 1.136 318 L HN 0.136 nan 8.230 nan 0.000 0.492 319 L N -2.002 119.012 121.223 -0.348 0.000 2.376 319 L HA 0.361 4.652 4.340 -0.082 0.000 0.258 319 L C -0.420 176.142 176.870 -0.514 0.000 1.013 319 L CA -1.080 53.372 54.840 -0.645 0.000 0.822 319 L CB 1.873 43.221 42.059 -1.183 0.000 1.388 319 L HN -0.114 nan 8.230 nan 0.000 0.413 320 F N 0.279 120.225 119.950 -0.008 0.000 3.093 320 F HA -0.209 4.269 4.527 -0.082 0.000 0.283 320 F C 1.364 177.164 175.800 -0.001 0.000 0.848 320 F CA 0.699 58.700 58.000 0.001 0.000 1.059 320 F CB -2.589 36.416 39.000 0.009 0.000 1.191 320 F HN 0.799 nan 8.300 nan 0.000 0.514 321 G N -0.390 108.449 108.800 0.065 0.000 2.395 321 G HA2 0.217 4.128 3.960 -0.082 0.000 0.292 321 G HA3 0.217 4.128 3.960 -0.082 0.000 0.292 321 G C 1.386 176.321 174.900 0.059 0.000 0.953 321 G CA 1.095 46.219 45.100 0.040 0.000 1.207 321 G HN 2.318 nan 8.290 nan 0.000 0.503 322 G N -1.158 107.674 108.800 0.053 0.000 2.187 322 G HA2 -0.339 3.572 3.960 -0.082 0.000 0.261 322 G HA3 -0.339 3.572 3.960 -0.082 0.000 0.261 322 G C 0.446 175.404 174.900 0.097 0.000 1.000 322 G CA 1.434 46.572 45.100 0.062 0.000 0.718 322 G HN 1.051 nan 8.290 nan 0.000 0.519 323 K N -0.699 119.788 120.400 0.145 0.000 2.118 323 K HA 0.778 5.049 4.320 -0.082 0.000 0.254 323 K C -0.664 176.024 176.600 0.147 0.000 0.961 323 K CA -0.869 55.490 56.287 0.120 0.000 0.876 323 K CB 0.690 33.247 32.500 0.094 0.000 1.077 323 K HN 0.077 nan 8.250 nan 0.000 0.440 324 L N 2.225 123.493 121.223 0.076 0.000 2.528 324 L HA 0.207 4.498 4.340 -0.082 0.000 0.267 324 L C -0.302 176.570 176.870 0.003 0.000 0.961 324 L CA -0.496 54.375 54.840 0.052 0.000 0.866 324 L CB 1.757 43.866 42.059 0.083 0.000 1.248 324 L HN 0.703 nan 8.230 nan 0.000 0.404 325 S N 2.606 118.278 115.700 -0.045 0.000 2.600 325 S HA 0.422 4.843 4.470 -0.082 0.000 0.265 325 S C -1.701 172.890 174.600 -0.014 0.000 1.325 325 S CA -0.728 57.448 58.200 -0.040 0.000 1.002 325 S CB 0.627 63.783 63.200 -0.073 0.000 0.921 325 S HN 0.570 nan 8.310 nan 0.000 0.554 326 P HA 0.102 nan 4.420 nan 0.000 0.231 326 P C 0.608 177.912 177.300 0.006 0.000 1.168 326 P CA 0.679 63.781 63.100 0.004 0.000 0.779 326 P CB 0.033 31.735 31.700 0.003 0.000 0.844 327 E N -0.116 120.081 120.200 -0.004 0.000 2.112 327 E HA -0.072 4.229 4.350 -0.082 0.000 0.190 327 E C 1.866 178.477 176.600 0.019 0.000 0.979 327 E CA 0.479 56.880 56.400 0.002 0.000 0.814 327 E CB -0.916 28.776 29.700 -0.013 0.000 0.762 327 E HN 0.091 nan 8.360 nan 0.000 0.460 328 L N 0.165 121.393 121.223 0.009 0.000 2.201 328 L HA -0.067 4.224 4.340 -0.082 0.000 0.212 328 L C 1.524 178.430 176.870 0.060 0.000 1.105 328 L CA 1.484 56.346 54.840 0.037 0.000 0.775 328 L CB 0.035 42.096 42.059 0.004 0.000 0.913 328 L HN 0.126 nan 8.230 nan 0.000 0.440 329 L N -1.060 120.190 121.223 0.046 0.000 2.446 329 L HA 0.038 4.329 4.340 -0.082 0.000 0.219 329 L C 1.043 177.942 176.870 0.049 0.000 1.116 329 L CA 0.071 54.942 54.840 0.053 0.000 0.844 329 L CB -0.477 41.608 42.059 0.043 0.000 0.970 329 L HN 0.296 nan 8.230 nan 0.000 0.457 330 N N 0.688 119.414 118.700 0.043 0.000 2.442 330 N HA -0.023 4.668 4.740 -0.082 0.000 0.265 330 N C -0.032 175.508 175.510 0.050 0.000 1.138 330 N CA -0.121 52.952 53.050 0.038 0.000 0.956 330 N CB 0.818 39.321 38.487 0.027 0.000 1.067 330 N HN -0.141 nan 8.380 nan 0.000 0.474 331 T N 2.533 117.116 114.554 0.048 0.000 2.934 331 T HA 0.182 4.483 4.350 -0.082 0.000 0.306 331 T C 1.221 175.953 174.700 0.054 0.000 1.042 331 T CA 1.369 63.503 62.100 0.056 0.000 1.145 331 T CB -0.073 68.825 68.868 0.050 0.000 0.982 331 T HN 0.795 nan 8.240 nan 0.000 0.544 332 G N 4.547 113.389 108.800 0.069 0.000 2.143 332 G HA2 -0.228 3.683 3.960 -0.082 0.000 0.249 332 G HA3 -0.228 3.683 3.960 -0.082 0.000 0.249 332 G C 1.171 176.111 174.900 0.066 0.000 0.981 332 G CA 0.435 45.572 45.100 0.063 0.000 0.665 332 G HN 0.662 nan 8.290 nan 0.000 0.528 333 R N -0.964 119.587 120.500 0.085 0.000 2.161 333 R HA 0.192 4.483 4.340 -0.082 0.000 0.213 333 R C 0.817 177.173 176.300 0.095 0.000 1.055 333 R CA 0.224 56.366 56.100 0.070 0.000 0.996 333 R CB -0.048 30.290 30.300 0.065 0.000 0.901 333 R HN 0.483 nan 8.270 nan 0.000 0.456 334 F N 2.240 122.196 119.950 0.010 0.000 2.371 334 F HA 0.173 4.651 4.527 -0.083 0.000 0.363 334 F C 0.185 175.992 175.800 0.011 0.000 1.122 334 F CA -0.470 57.537 58.000 0.012 0.000 1.129 334 F CB 0.749 39.763 39.000 0.023 0.000 1.173 334 F HN -0.148 nan 8.300 nan 0.000 0.489 335 E N 2.745 122.979 120.200 0.057 0.000 2.280 335 E HA 0.160 4.461 4.350 -0.082 0.000 0.264 335 E C 0.605 177.291 176.600 0.143 0.000 1.064 335 E CA -0.487 55.956 56.400 0.072 0.000 0.900 335 E CB 1.513 31.197 29.700 -0.027 0.000 1.123 335 E HN 0.577 nan 8.360 nan 0.000 0.418 336 T N 0.714 115.334 114.554 0.110 0.000 2.985 336 T HA -0.105 4.196 4.350 -0.082 0.000 0.266 336 T C 1.664 176.411 174.700 0.080 0.000 1.076 336 T CA 0.847 63.021 62.100 0.124 0.000 1.135 336 T CB 0.014 68.929 68.868 0.080 0.000 0.890 336 T HN 0.392 nan 8.240 nan 0.000 0.480 337 K N 1.157 121.570 120.400 0.022 0.000 2.113 337 K HA -0.205 4.066 4.320 -0.082 0.000 0.208 337 K C 1.473 178.048 176.600 -0.042 0.000 1.047 337 K CA 1.803 58.081 56.287 -0.016 0.000 0.928 337 K CB -0.073 32.405 32.500 -0.037 0.000 0.716 337 K HN 0.208 nan 8.250 nan 0.000 0.446 338 D N 0.532 120.885 120.400 -0.078 0.000 2.183 338 D HA -0.105 4.486 4.640 -0.082 0.000 0.203 338 D C 1.938 178.223 176.300 -0.025 0.000 0.969 338 D CA 0.974 54.870 54.000 -0.172 0.000 0.842 338 D CB -0.070 40.407 40.800 -0.540 0.000 0.957 338 D HN 0.346 nan 8.370 nan 0.000 0.484 339 I N 0.782 121.438 120.570 0.144 0.000 2.226 339 I HA -0.235 3.886 4.170 -0.082 0.000 0.245 339 I C 2.358 178.512 176.117 0.062 0.000 1.100 339 I CA 0.728 62.157 61.300 0.215 0.000 1.374 339 I CB -0.187 37.980 38.000 0.278 0.000 1.057 339 I HN -0.108 nan 8.210 nan 0.000 0.413 340 S N 0.627 116.320 115.700 -0.012 0.000 2.343 340 S HA -0.205 4.216 4.470 -0.082 0.000 0.219 340 S C 1.653 176.137 174.600 -0.192 0.000 1.033 340 S CA 1.613 59.673 58.200 -0.232 0.000 1.014 340 S CB -0.357 62.765 63.200 -0.130 0.000 0.915 340 S HN 0.415 nan 8.310 nan 0.000 0.435 341 D N 1.383 121.724 120.400 -0.098 0.000 2.106 341 D HA -0.082 4.509 4.640 -0.082 0.000 0.191 341 D C 1.879 178.165 176.300 -0.024 0.000 0.997 341 D CA 0.961 54.921 54.000 -0.068 0.000 0.834 341 D CB -0.518 40.244 40.800 -0.064 0.000 0.956 341 D HN 0.330 nan 8.370 nan 0.000 0.448 342 I N 0.909 121.484 120.570 0.009 0.000 2.248 342 I HA -0.246 3.875 4.170 -0.082 0.000 0.248 342 I C 2.035 178.251 176.117 0.165 0.000 1.107 342 I CA 1.284 62.641 61.300 0.094 0.000 1.373 342 I CB -0.200 37.880 38.000 0.132 0.000 1.055 342 I HN 0.039 nan 8.210 nan 0.000 0.418 343 E N -0.092 120.151 120.200 0.073 0.000 2.442 343 E HA -0.003 4.298 4.350 -0.082 0.000 0.195 343 E C 1.962 178.678 176.600 0.194 0.000 1.030 343 E CA 0.587 57.068 56.400 0.135 0.000 0.869 343 E CB 0.282 30.020 29.700 0.063 0.000 0.857 343 E HN 0.571 nan 8.360 nan 0.000 0.505 344 G N 0.705 109.523 108.800 0.031 0.000 2.747 344 G HA2 0.008 3.919 3.960 -0.082 0.000 0.202 344 G HA3 0.008 3.919 3.960 -0.082 0.000 0.202 344 G C 0.636 175.534 174.900 -0.003 0.000 1.090 344 G CA 0.264 45.340 45.100 -0.040 0.000 0.779 344 G HN 0.284 nan 8.290 nan 0.000 0.535 345 E N 1.189 121.392 120.200 0.005 0.000 2.436 345 E HA 0.228 4.529 4.350 -0.082 0.000 0.262 345 E C 1.100 177.711 176.600 0.018 0.000 1.063 345 E CA 0.279 56.680 56.400 0.003 0.000 0.944 345 E CB 0.211 29.911 29.700 -0.000 0.000 0.950 345 E HN 0.492 nan 8.360 nan 0.000 0.444 346 K N 0.199 120.602 120.400 0.005 0.000 2.062 346 K HA 0.003 4.274 4.320 -0.082 0.000 0.205 346 K C 1.262 177.858 176.600 -0.006 0.000 1.051 346 K CA 1.218 57.507 56.287 0.004 0.000 0.941 346 K CB 0.117 32.616 32.500 -0.002 0.000 0.719 346 K HN 0.779 nan 8.250 nan 0.000 0.440 347 D N 1.027 121.422 120.400 -0.009 0.000 2.558 347 D HA 0.216 4.807 4.640 -0.082 0.000 0.221 347 D C 1.023 177.317 176.300 -0.011 0.000 1.143 347 D CA 0.058 54.049 54.000 -0.016 0.000 1.010 347 D CB -0.173 40.619 40.800 -0.013 0.000 1.068 347 D HN 0.301 nan 8.370 nan 0.000 0.511 348 G N 0.566 109.352 108.800 -0.023 0.000 2.394 348 G HA2 -0.039 3.872 3.960 -0.082 0.000 0.215 348 G HA3 -0.039 3.872 3.960 -0.082 0.000 0.215 348 G C 1.794 176.693 174.900 -0.002 0.000 1.165 348 G CA 1.221 46.323 45.100 0.004 0.000 0.784 348 G HN 0.857 nan 8.290 nan 0.000 0.535 349 I N -1.120 119.409 120.570 -0.069 0.000 2.264 349 I HA -0.033 4.088 4.170 -0.082 0.000 0.248 349 I C 2.543 178.664 176.117 0.007 0.000 1.111 349 I CA 1.743 63.025 61.300 -0.031 0.000 1.382 349 I CB -0.264 37.705 38.000 -0.051 0.000 1.060 349 I HN 0.075 nan 8.210 nan 0.000 0.418 350 R N 1.220 121.719 120.500 -0.002 0.000 2.090 350 R HA -0.149 4.142 4.340 -0.082 0.000 0.228 350 R C 2.294 178.598 176.300 0.007 0.000 1.110 350 R CA 1.228 57.329 56.100 0.002 0.000 0.973 350 R CB -0.069 30.227 30.300 -0.006 0.000 0.869 350 R HN 0.221 nan 8.270 nan 0.000 0.440 351 K N 0.654 121.061 120.400 0.012 0.000 2.057 351 K HA 0.026 4.297 4.320 -0.082 0.000 0.206 351 K C 1.724 178.335 176.600 0.020 0.000 1.050 351 K CA 1.572 57.864 56.287 0.009 0.000 0.935 351 K CB -0.382 32.125 32.500 0.012 0.000 0.715 351 K HN 0.226 nan 8.250 nan 0.000 0.439 352 A N 1.058 123.915 122.820 0.061 0.000 1.892 352 A HA -0.235 4.036 4.320 -0.082 0.000 0.218 352 A C 2.291 179.915 177.584 0.067 0.000 1.188 352 A CA 1.991 54.085 52.037 0.094 0.000 0.631 352 A CB -0.668 18.421 19.000 0.148 0.000 0.822 352 A HN 0.389 nan 8.150 nan 0.000 0.447 353 R N -0.421 120.109 120.500 0.051 0.000 2.081 353 R HA -0.196 4.095 4.340 -0.082 0.000 0.235 353 R C 2.256 178.559 176.300 0.004 0.000 1.131 353 R CA 1.843 57.964 56.100 0.035 0.000 0.960 353 R CB -0.311 30.005 30.300 0.027 0.000 0.856 353 R HN 0.764 nan 8.270 nan 0.000 0.436 354 E N -0.267 119.927 120.200 -0.009 0.000 2.160 354 E HA -0.165 4.136 4.350 -0.082 0.000 0.195 354 E C 1.742 178.310 176.600 -0.053 0.000 0.991 354 E CA 1.472 57.854 56.400 -0.029 0.000 0.810 354 E CB 0.158 29.839 29.700 -0.032 0.000 0.742 354 E HN 0.202 nan 8.360 nan 0.000 0.466 355 V N 0.819 120.693 119.914 -0.067 0.000 2.302 355 V HA -0.217 3.854 4.120 -0.082 0.000 0.243 355 V C 2.419 178.457 176.094 -0.093 0.000 1.036 355 V CA 1.403 63.625 62.300 -0.129 0.000 1.020 355 V CB -0.441 31.244 31.823 -0.231 0.000 0.657 355 V HN 0.312 nan 8.190 nan 0.000 0.453 356 L N -0.805 120.397 121.223 -0.035 0.000 2.127 356 L HA -0.238 4.053 4.340 -0.082 0.000 0.211 356 L C 2.483 179.305 176.870 -0.079 0.000 1.089 356 L CA 1.727 56.545 54.840 -0.036 0.000 0.757 356 L CB -0.452 41.611 42.059 0.007 0.000 0.899 356 L HN 0.334 nan 8.230 nan 0.000 0.434 357 M N -1.454 118.111 119.600 -0.059 0.000 2.288 357 M HA -0.130 4.301 4.480 -0.082 0.000 0.266 357 M C 2.376 178.642 176.300 -0.057 0.000 1.072 357 M CA 1.129 56.395 55.300 -0.058 0.000 1.132 357 M CB -0.334 32.242 32.600 -0.040 0.000 1.386 357 M HN 0.149 nan 8.290 nan 0.000 0.432 358 R N 1.353 121.816 120.500 -0.061 0.000 2.148 358 R HA -0.069 4.222 4.340 -0.082 0.000 0.227 358 R C 1.515 177.781 176.300 -0.057 0.000 1.103 358 R CA 1.010 57.074 56.100 -0.059 0.000 0.983 358 R CB -0.185 30.073 30.300 -0.071 0.000 0.874 358 R HN 0.403 nan 8.270 nan 0.000 0.451 359 L N 0.169 121.354 121.223 -0.063 0.000 2.627 359 L HA 0.130 4.421 4.340 -0.082 0.000 0.233 359 L C 0.847 177.672 176.870 -0.076 0.000 1.144 359 L CA 0.653 55.460 54.840 -0.056 0.000 0.892 359 L CB -0.143 41.892 42.059 -0.040 0.000 1.039 359 L HN 0.479 nan 8.230 nan 0.000 0.442 360 G N 1.039 109.793 108.800 -0.076 0.000 2.212 360 G HA2 -0.246 3.665 3.960 -0.082 0.000 0.255 360 G HA3 -0.246 3.665 3.960 -0.082 0.000 0.255 360 G C -0.195 174.643 174.900 -0.104 0.000 1.062 360 G CA -0.071 44.985 45.100 -0.072 0.000 0.815 360 G HN 0.273 nan 8.290 nan 0.000 0.497 361 L N -1.007 120.135 121.223 -0.136 0.000 2.303 361 L HA 0.768 5.059 4.340 -0.082 0.000 0.266 361 L C -0.284 176.524 176.870 -0.103 0.000 1.011 361 L CA -1.095 53.635 54.840 -0.183 0.000 0.818 361 L CB 1.960 43.796 42.059 -0.372 0.000 1.326 361 L HN 0.093 nan 8.230 nan 0.000 0.435 362 D N 1.627 121.984 120.400 -0.071 0.000 2.438 362 D HA 0.358 4.949 4.640 -0.082 0.000 0.257 362 D C -2.377 173.940 176.300 0.028 0.000 1.148 362 D CA -1.162 52.827 54.000 -0.017 0.000 0.902 362 D CB 1.035 41.832 40.800 -0.004 0.000 1.062 362 D HN 0.179 nan 8.370 nan 0.000 0.518 363 P HA 0.270 nan 4.420 nan 0.000 0.279 363 P C -0.383 176.980 177.300 0.105 0.000 1.252 363 P CA -0.535 62.656 63.100 0.151 0.000 0.811 363 P CB 1.162 32.981 31.700 0.198 0.000 1.035 364 T N -3.939 110.683 114.554 0.113 0.000 2.902 364 T HA 0.420 4.721 4.350 -0.082 0.000 0.283 364 T C 1.570 176.302 174.700 0.053 0.000 1.009 364 T CA 0.066 62.205 62.100 0.065 0.000 1.051 364 T CB 0.757 69.655 68.868 0.050 0.000 0.999 364 T HN 0.465 nan 8.240 nan 0.000 0.474 365 Q N 1.056 120.876 119.800 0.032 0.000 2.224 365 Q HA -0.204 4.087 4.340 -0.082 0.000 0.213 365 Q C 2.387 178.398 176.000 0.019 0.000 0.998 365 Q CA 3.567 59.383 55.803 0.021 0.000 0.895 365 Q CB -2.047 26.695 28.738 0.008 0.000 0.926 365 Q HN 1.146 nan 8.270 nan 0.000 0.417 366 E N 1.341 121.549 120.200 0.013 0.000 2.017 366 E HA -0.229 4.072 4.350 -0.082 0.000 0.193 366 E C 1.969 178.566 176.600 -0.005 0.000 0.997 366 E CA 1.313 57.711 56.400 -0.003 0.000 0.804 366 E CB -0.902 28.789 29.700 -0.016 0.000 0.757 366 E HN 0.771 nan 8.360 nan 0.000 0.448 367 D N -0.090 120.311 120.400 0.002 0.000 2.157 367 D HA -0.154 4.436 4.640 -0.082 0.000 0.191 367 D C 2.067 178.409 176.300 0.070 0.000 1.004 367 D CA 1.741 55.742 54.000 0.001 0.000 0.854 367 D CB -0.864 40.013 40.800 0.128 0.000 0.936 367 D HN 0.549 nan 8.370 nan 0.000 0.446 368 C N -0.006 119.350 119.300 0.094 0.000 2.432 368 C HA -0.008 4.403 4.460 -0.082 0.000 0.282 368 C C 2.815 177.863 174.990 0.096 0.000 1.388 368 C CA -0.007 59.076 59.018 0.109 0.000 1.777 368 C CB -0.668 27.121 27.740 0.082 0.000 1.882 368 C HN 0.183 nan 8.230 nan 0.000 0.520 369 V N 0.811 120.760 119.914 0.058 0.000 2.649 369 V HA -0.045 4.026 4.120 -0.082 0.000 0.248 369 V C 2.582 178.725 176.094 0.081 0.000 1.054 369 V CA 1.793 64.126 62.300 0.056 0.000 1.073 369 V CB -0.873 30.959 31.823 0.014 0.000 0.699 369 V HN 0.550 nan 8.190 nan 0.000 0.463 370 A N -0.126 122.717 122.820 0.038 0.000 1.898 370 A HA -0.174 4.097 4.320 -0.082 0.000 0.216 370 A C 2.396 180.001 177.584 0.034 0.000 1.181 370 A CA 2.348 54.387 52.037 0.004 0.000 0.620 370 A CB -0.855 18.100 19.000 -0.075 0.000 0.819 370 A HN 0.455 nan 8.150 nan 0.000 0.442 371 T N -1.234 113.368 114.554 0.080 0.000 2.708 371 T HA -0.159 4.142 4.350 -0.082 0.000 0.266 371 T C 1.860 176.648 174.700 0.146 0.000 1.037 371 T CA 1.870 64.046 62.100 0.126 0.000 1.146 371 T CB -0.450 68.551 68.868 0.221 0.000 0.865 371 T HN 0.808 nan 8.240 nan 0.000 0.435 372 H N 0.997 120.115 119.070 0.081 0.000 2.352 372 H HA -0.053 4.454 4.556 -0.081 0.000 0.299 372 H C 2.414 177.773 175.328 0.051 0.000 1.097 372 H CA 1.764 57.857 56.048 0.074 0.000 1.311 372 H CB 0.003 29.797 29.762 0.053 0.000 1.377 372 H HN 0.012 nan 8.280 nan 0.000 0.504 373 R N 0.487 121.038 120.500 0.086 0.000 2.148 373 R HA 0.031 4.322 4.340 -0.082 0.000 0.223 373 R C 2.113 178.387 176.300 -0.044 0.000 1.088 373 R CA 1.379 57.491 56.100 0.021 0.000 0.985 373 R CB -0.600 29.737 30.300 0.063 0.000 0.880 373 R HN 0.543 nan 8.270 nan 0.000 0.451 374 I N -0.777 119.767 120.570 -0.044 0.000 2.233 374 I HA -0.305 3.816 4.170 -0.082 0.000 0.243 374 I C 2.067 178.129 176.117 -0.091 0.000 1.093 374 I CA 0.980 62.232 61.300 -0.079 0.000 1.380 374 I CB -0.335 37.598 38.000 -0.111 0.000 1.067 374 I HN 0.149 nan 8.210 nan 0.000 0.413 375 C N 0.460 119.717 119.300 -0.071 0.000 2.391 375 C HA -0.234 4.176 4.460 -0.082 0.000 0.276 375 C C 2.856 177.825 174.990 -0.035 0.000 1.217 375 C CA 1.135 60.138 59.018 -0.026 0.000 1.766 375 C CB -1.234 26.512 27.740 0.011 0.000 2.046 375 C HN 0.533 nan 8.230 nan 0.000 0.475 376 Q N -0.191 119.540 119.800 -0.115 0.000 2.049 376 Q HA -0.066 4.225 4.340 -0.082 0.000 0.198 376 Q C 2.198 178.161 176.000 -0.063 0.000 0.971 376 Q CA 1.283 57.033 55.803 -0.089 0.000 0.833 376 Q CB -0.183 28.473 28.738 -0.137 0.000 0.896 376 Q HN 0.686 nan 8.270 nan 0.000 0.434 377 I N -0.016 120.513 120.570 -0.068 0.000 2.179 377 I HA -0.287 3.834 4.170 -0.082 0.000 0.242 377 I C 2.254 178.329 176.117 -0.070 0.000 1.088 377 I CA 0.899 62.160 61.300 -0.066 0.000 1.357 377 I CB -0.205 37.760 38.000 -0.059 0.000 1.051 377 I HN 0.029 nan 8.210 nan 0.000 0.409 378 V N 0.568 120.439 119.914 -0.070 0.000 2.261 378 V HA -0.293 3.778 4.120 -0.082 0.000 0.246 378 V C 2.542 178.613 176.094 -0.038 0.000 1.047 378 V CA 2.380 64.641 62.300 -0.064 0.000 1.015 378 V CB -0.705 31.075 31.823 -0.072 0.000 0.642 378 V HN 0.636 nan 8.190 nan 0.000 0.446 379 S N -1.422 114.266 115.700 -0.021 0.000 2.489 379 S HA -0.118 4.303 4.470 -0.082 0.000 0.228 379 S C 1.730 176.284 174.600 -0.076 0.000 0.995 379 S CA 1.325 59.507 58.200 -0.030 0.000 0.934 379 S CB -0.270 62.885 63.200 -0.075 0.000 0.771 379 S HN 0.569 nan 8.310 nan 0.000 0.522 380 T N 1.545 116.046 114.554 -0.089 0.000 3.043 380 T HA 0.152 4.452 4.350 -0.082 0.000 0.263 380 T C 1.772 176.387 174.700 -0.141 0.000 1.094 380 T CA 0.642 62.663 62.100 -0.132 0.000 1.127 380 T CB -0.129 68.676 68.868 -0.106 0.000 0.905 380 T HN 0.439 nan 8.240 nan 0.000 0.490 381 R N 0.694 121.130 120.500 -0.106 0.000 2.100 381 R HA 0.031 4.322 4.340 -0.082 0.000 0.220 381 R C 2.730 178.962 176.300 -0.113 0.000 1.091 381 R CA 1.096 57.132 56.100 -0.107 0.000 0.986 381 R CB -0.324 29.921 30.300 -0.091 0.000 0.888 381 R HN 0.244 nan 8.270 nan 0.000 0.444 382 S N 0.290 115.951 115.700 -0.064 0.000 2.359 382 S HA -0.192 4.229 4.470 -0.082 0.000 0.223 382 S C 2.001 176.600 174.600 -0.001 0.000 1.039 382 S CA 1.589 59.802 58.200 0.021 0.000 1.042 382 S CB -0.290 63.019 63.200 0.181 0.000 0.915 382 S HN 0.517 nan 8.310 nan 0.000 0.439 383 A N 0.258 122.924 122.820 -0.256 0.000 1.978 383 A HA -0.035 4.236 4.320 -0.082 0.000 0.220 383 A C 2.397 179.778 177.584 -0.338 0.000 1.170 383 A CA 2.160 53.760 52.037 -0.729 0.000 0.636 383 A CB -0.901 17.500 19.000 -0.999 0.000 0.810 383 A HN 0.578 nan 8.150 nan 0.000 0.448 384 S N -0.639 114.929 115.700 -0.221 0.000 2.425 384 S HA 0.093 4.514 4.470 -0.082 0.000 0.225 384 S C 1.762 176.302 174.600 -0.099 0.000 1.024 384 S CA 0.741 58.856 58.200 -0.141 0.000 0.951 384 S CB -0.289 62.839 63.200 -0.120 0.000 0.796 384 S HN 0.507 nan 8.310 nan 0.000 0.498 385 L N 0.874 122.025 121.223 -0.120 0.000 1.994 385 L HA -0.169 4.122 4.340 -0.082 0.000 0.208 385 L C 2.560 179.382 176.870 -0.079 0.000 1.071 385 L CA 1.040 55.816 54.840 -0.106 0.000 0.745 385 L CB -0.791 41.082 42.059 -0.309 0.000 0.892 385 L HN 0.387 nan 8.230 nan 0.000 0.431 386 C N -0.129 119.101 119.300 -0.116 0.000 2.398 386 C HA -0.243 4.168 4.460 -0.082 0.000 0.276 386 C C 3.143 178.131 174.990 -0.004 0.000 1.222 386 C CA 0.709 59.703 59.018 -0.040 0.000 1.746 386 C CB -1.309 26.561 27.740 0.217 0.000 2.039 386 C HN 0.647 nan 8.230 nan 0.000 0.470 387 A N 0.640 123.461 122.820 0.001 0.000 1.917 387 A HA -0.026 4.245 4.320 -0.082 0.000 0.219 387 A C 2.375 179.960 177.584 0.003 0.000 1.182 387 A CA 2.407 54.462 52.037 0.029 0.000 0.633 387 A CB -0.949 18.045 19.000 -0.010 0.000 0.819 387 A HN 0.632 nan 8.150 nan 0.000 0.448 388 A N -0.347 122.452 122.820 -0.035 0.000 1.865 388 A HA -0.143 4.128 4.320 -0.082 0.000 0.217 388 A C 2.495 180.020 177.584 -0.098 0.000 1.191 388 A CA 2.845 54.860 52.037 -0.036 0.000 0.623 388 A CB -1.454 17.545 19.000 -0.002 0.000 0.826 388 A HN 0.810 nan 8.150 nan 0.000 0.444 389 T N -2.659 111.725 114.554 -0.283 0.000 2.896 389 T HA -0.017 4.284 4.350 -0.082 0.000 0.263 389 T C 1.707 176.302 174.700 -0.174 0.000 1.050 389 T CA 1.266 63.010 62.100 -0.593 0.000 1.140 389 T CB -0.382 67.540 68.868 -1.576 0.000 0.877 389 T HN 0.065 nan 8.240 nan 0.000 0.457 390 L N 1.762 122.986 121.223 0.001 0.000 2.131 390 L HA 0.224 4.514 4.340 -0.082 0.000 0.210 390 L C 2.917 179.849 176.870 0.103 0.000 1.092 390 L CA 1.442 56.399 54.840 0.195 0.000 0.759 390 L CB -1.162 41.055 42.059 0.263 0.000 0.903 390 L HN 0.435 nan 8.230 nan 0.000 0.435 391 A N -1.306 121.552 122.820 0.062 0.000 2.015 391 A HA -0.023 4.248 4.320 -0.082 0.000 0.219 391 A C 2.405 180.009 177.584 0.034 0.000 1.163 391 A CA 1.391 53.456 52.037 0.048 0.000 0.646 391 A CB -0.690 18.332 19.000 0.037 0.000 0.806 391 A HN 0.420 nan 8.150 nan 0.000 0.448 392 A N -0.629 122.220 122.820 0.048 0.000 1.970 392 A HA 0.124 4.395 4.320 -0.082 0.000 0.216 392 A C 2.120 179.708 177.584 0.007 0.000 1.170 392 A CA 1.480 53.551 52.037 0.058 0.000 0.645 392 A CB -0.586 18.517 19.000 0.171 0.000 0.816 392 A HN 0.332 nan 8.150 nan 0.000 0.447 393 V N -0.011 119.908 119.914 0.008 0.000 2.453 393 V HA -0.178 3.893 4.120 -0.082 0.000 0.247 393 V C 2.469 178.495 176.094 -0.114 0.000 1.048 393 V CA 1.632 63.841 62.300 -0.152 0.000 1.049 393 V CB -0.718 31.016 31.823 -0.148 0.000 0.672 393 V HN 0.534 nan 8.190 nan 0.000 0.457 394 L N -0.264 120.937 121.223 -0.036 0.000 2.093 394 L HA -0.169 4.122 4.340 -0.082 0.000 0.208 394 L C 2.623 179.483 176.870 -0.016 0.000 1.085 394 L CA 1.329 56.157 54.840 -0.021 0.000 0.755 394 L CB -0.501 41.556 42.059 -0.003 0.000 0.904 394 L HN 0.342 nan 8.230 nan 0.000 0.435 395 Q N 0.622 120.413 119.800 -0.015 0.000 2.046 395 Q HA -0.238 4.053 4.340 -0.082 0.000 0.200 395 Q C 2.189 178.176 176.000 -0.023 0.000 0.975 395 Q CA 1.701 57.496 55.803 -0.013 0.000 0.836 395 Q CB -0.144 28.587 28.738 -0.011 0.000 0.896 395 Q HN 0.188 nan 8.270 nan 0.000 0.428 396 R N 0.302 120.774 120.500 -0.047 0.000 2.080 396 R HA -0.066 4.224 4.340 -0.082 0.000 0.236 396 R C 2.127 178.426 176.300 -0.001 0.000 1.137 396 R CA 2.074 58.144 56.100 -0.049 0.000 0.943 396 R CB -0.935 29.301 30.300 -0.106 0.000 0.846 396 R HN 0.473 nan 8.270 nan 0.000 0.431 397 I N 0.625 121.199 120.570 0.008 0.000 2.335 397 I HA -0.268 3.853 4.170 -0.082 0.000 0.251 397 I C 2.486 178.623 176.117 0.033 0.000 1.129 397 I CA 1.508 62.837 61.300 0.049 0.000 1.402 397 I CB -0.321 37.709 38.000 0.050 0.000 1.069 397 I HN 0.302 nan 8.210 nan 0.000 0.424 398 K N 1.212 121.621 120.400 0.015 0.000 2.057 398 K HA -0.186 4.085 4.320 -0.082 0.000 0.206 398 K C 1.908 178.520 176.600 0.019 0.000 1.050 398 K CA 1.436 57.731 56.287 0.014 0.000 0.935 398 K CB 0.045 32.549 32.500 0.007 0.000 0.715 398 K HN 0.335 nan 8.250 nan 0.000 0.439 399 E N 0.159 120.369 120.200 0.017 0.000 2.150 399 E HA -0.146 4.155 4.350 -0.082 0.000 0.193 399 E C 1.740 178.367 176.600 0.045 0.000 0.985 399 E CA 0.819 57.232 56.400 0.022 0.000 0.814 399 E CB -0.020 29.685 29.700 0.009 0.000 0.752 399 E HN 0.309 nan 8.360 nan 0.000 0.466 400 N N 1.077 119.813 118.700 0.061 0.000 2.171 400 N HA -0.094 4.597 4.740 -0.082 0.000 0.184 400 N C 1.352 176.897 175.510 0.058 0.000 1.021 400 N CA 1.013 54.117 53.050 0.089 0.000 0.854 400 N CB -0.004 38.553 38.487 0.116 0.000 0.994 400 N HN 0.091 nan 8.380 nan 0.000 0.426 401 K N -0.521 119.905 120.400 0.044 0.000 2.366 401 K HA 0.104 4.375 4.320 -0.082 0.000 0.198 401 K C 1.002 177.617 176.600 0.024 0.000 1.044 401 K CA 0.617 56.922 56.287 0.030 0.000 0.973 401 K CB 0.154 32.670 32.500 0.026 0.000 0.767 401 K HN 0.262 nan 8.250 nan 0.000 0.475 402 G N 1.388 110.203 108.800 0.025 0.000 2.179 402 G HA2 -0.274 3.637 3.960 -0.082 0.000 0.260 402 G HA3 -0.274 3.637 3.960 -0.082 0.000 0.260 402 G C -0.110 174.799 174.900 0.015 0.000 0.977 402 G CA 0.205 45.317 45.100 0.020 0.000 0.641 402 G HN 0.300 nan 8.290 nan 0.000 0.533 403 E N 0.518 120.727 120.200 0.014 0.000 2.266 403 E HA 0.642 4.943 4.350 -0.082 0.000 0.277 403 E C 1.426 178.032 176.600 0.010 0.000 1.018 403 E CA 0.833 57.240 56.400 0.011 0.000 0.840 403 E CB 0.808 30.515 29.700 0.011 0.000 1.082 403 E HN 0.495 nan 8.360 nan 0.000 0.395 404 E N 2.988 123.193 120.200 0.009 0.000 2.085 404 E HA -0.112 4.189 4.350 -0.082 0.000 0.194 404 E C 1.033 177.638 176.600 0.008 0.000 0.994 404 E CA 2.212 58.617 56.400 0.008 0.000 0.801 404 E CB -0.532 29.172 29.700 0.007 0.000 0.743 404 E HN 0.597 nan 8.360 nan 0.000 0.453 405 R N -1.964 118.541 120.500 0.008 0.000 2.854 405 R HA 0.885 5.176 4.340 -0.082 0.000 0.271 405 R C -0.139 176.165 176.300 0.007 0.000 0.996 405 R CA 0.016 56.121 56.100 0.008 0.000 0.961 405 R CB 0.399 30.705 30.300 0.009 0.000 1.182 405 R HN 1.234 nan 8.270 nan 0.000 0.479 406 L N 0.688 121.915 121.223 0.006 0.000 2.330 406 L HA 0.997 5.288 4.340 -0.082 0.000 0.271 406 L C 0.231 177.099 176.870 -0.004 0.000 1.013 406 L CA -1.279 53.563 54.840 0.003 0.000 0.816 406 L CB 1.518 43.578 42.059 0.002 0.000 1.287 406 L HN 1.036 nan 8.230 nan 0.000 0.435 407 R N 1.261 121.757 120.500 -0.007 0.000 2.437 407 R HA 0.794 5.085 4.340 -0.082 0.000 0.310 407 R C -0.811 175.471 176.300 -0.029 0.000 0.955 407 R CA 0.087 56.176 56.100 -0.018 0.000 0.851 407 R CB 1.516 31.807 30.300 -0.015 0.000 1.161 407 R HN 1.013 nan 8.270 nan 0.000 0.446 408 S N 1.624 117.292 115.700 -0.054 0.000 2.533 408 S HA 0.582 5.003 4.470 -0.082 0.000 0.271 408 S C -1.506 173.019 174.600 -0.126 0.000 1.143 408 S CA -0.553 57.602 58.200 -0.074 0.000 0.891 408 S CB 1.743 64.901 63.200 -0.070 0.000 1.105 408 S HN 0.607 nan 8.310 nan 0.000 0.468 409 T N 3.583 118.064 114.554 -0.122 0.000 2.792 409 T HA 0.578 4.879 4.350 -0.082 0.000 0.280 409 T C -0.549 174.048 174.700 -0.171 0.000 0.990 409 T CA -0.308 61.700 62.100 -0.154 0.000 0.960 409 T CB 0.511 69.316 68.868 -0.105 0.000 0.939 409 T HN 0.465 nan 8.240 nan 0.000 0.439 410 I N 2.306 122.712 120.570 -0.273 0.000 2.377 410 I HA 0.549 4.670 4.170 -0.082 0.000 0.293 410 I C 0.817 176.852 176.117 -0.137 0.000 0.987 410 I CA -0.751 60.406 61.300 -0.239 0.000 1.185 410 I CB 1.616 39.361 38.000 -0.425 0.000 1.341 410 I HN 0.686 nan 8.210 nan 0.000 0.455 411 G N 5.651 114.403 108.800 -0.080 0.000 2.368 411 G HA2 0.623 4.534 3.960 -0.082 0.000 0.320 411 G HA3 0.623 4.534 3.960 -0.082 0.000 0.320 411 G C -0.845 174.018 174.900 -0.063 0.000 1.158 411 G CA -0.298 44.777 45.100 -0.042 0.000 0.912 411 G HN 0.355 nan 8.290 nan 0.000 0.456 412 V N 2.247 122.118 119.914 -0.071 0.000 2.823 412 V HA 0.639 4.710 4.120 -0.082 0.000 0.312 412 V C -0.720 175.321 176.094 -0.089 0.000 1.072 412 V CA -0.800 61.394 62.300 -0.177 0.000 0.937 412 V CB 2.092 33.603 31.823 -0.521 0.000 1.013 412 V HN 0.756 nan 8.190 nan 0.000 0.430 413 D N 0.387 120.741 120.400 -0.076 0.000 2.798 413 D HA 0.779 5.370 4.640 -0.082 0.000 0.308 413 D C -0.258 176.052 176.300 0.016 0.000 1.187 413 D CA 0.728 54.731 54.000 0.006 0.000 1.033 413 D CB 2.351 43.153 40.800 0.004 0.000 1.445 413 D HN 1.141 nan 8.370 nan 0.000 0.550 414 G N -0.507 108.314 108.800 0.036 0.000 2.742 414 G HA2 -0.043 3.868 3.960 -0.082 0.000 0.686 414 G HA3 -0.043 3.868 3.960 -0.082 0.000 0.686 414 G C 0.506 175.425 174.900 0.033 0.000 1.220 414 G CA 0.248 45.361 45.100 0.021 0.000 0.783 414 G HN 0.275 nan 8.290 nan 0.000 0.646 415 S N -0.089 115.614 115.700 0.004 0.000 2.383 415 S HA -0.132 4.289 4.470 -0.082 0.000 0.229 415 S C 2.668 177.252 174.600 -0.026 0.000 1.030 415 S CA 1.849 60.048 58.200 -0.002 0.000 1.002 415 S CB -0.112 63.083 63.200 -0.008 0.000 0.829 415 S HN 0.839 nan 8.310 nan 0.000 0.467 416 V N 0.127 119.984 119.914 -0.094 0.000 2.270 416 V HA -0.157 3.914 4.120 -0.082 0.000 0.245 416 V C 1.873 177.824 176.094 -0.238 0.000 1.043 416 V CA 1.829 63.999 62.300 -0.216 0.000 1.014 416 V CB -0.707 30.835 31.823 -0.468 0.000 0.645 416 V HN 0.556 nan 8.190 nan 0.000 0.447 417 Y N 1.047 121.137 120.300 -0.349 0.000 2.145 417 Y HA -0.197 4.303 4.550 -0.082 0.000 0.286 417 Y C 2.572 178.475 175.900 0.005 0.000 1.145 417 Y CA 1.782 59.803 58.100 -0.132 0.000 1.148 417 Y CB -0.058 38.405 38.460 0.006 0.000 0.981 417 Y HN 0.080 nan 8.280 nan 0.000 0.507 418 K N 0.022 120.512 120.400 0.150 0.000 2.097 418 K HA -0.109 4.162 4.320 -0.082 0.000 0.205 418 K C 1.780 178.381 176.600 0.002 0.000 1.050 418 K CA 1.582 57.920 56.287 0.086 0.000 0.938 418 K CB -0.065 32.498 32.500 0.105 0.000 0.718 418 K HN 0.390 nan 8.250 nan 0.000 0.442 419 K N -0.730 119.669 120.400 -0.002 0.000 2.350 419 K HA 0.034 4.305 4.320 -0.082 0.000 0.196 419 K C 0.752 177.336 176.600 -0.028 0.000 1.084 419 K CA -0.171 56.104 56.287 -0.019 0.000 0.967 419 K CB 0.260 32.752 32.500 -0.014 0.000 0.950 419 K HN 0.132 nan 8.250 nan 0.000 0.512 420 H N 3.763 122.782 119.070 -0.085 0.000 2.964 420 H HA 0.002 4.508 4.556 -0.082 0.000 0.328 420 H C -1.734 173.521 175.328 -0.121 0.000 1.030 420 H CA -0.840 55.168 56.048 -0.067 0.000 1.445 420 H CB 1.339 31.096 29.762 -0.009 0.000 1.449 420 H HN -0.021 nan 8.280 nan 0.000 0.581 421 P HA -0.115 nan 4.420 nan 0.000 0.221 421 P C 0.626 177.673 177.300 -0.422 0.000 1.150 421 P CA 1.399 64.235 63.100 -0.440 0.000 0.800 421 P CB 0.568 31.850 31.700 -0.696 0.000 0.787 422 H N -3.112 116.107 119.070 0.248 0.000 3.017 422 H HA 0.169 4.676 4.556 -0.082 0.000 0.255 422 H C 1.812 177.170 175.328 0.050 0.000 0.990 422 H CA -0.364 55.764 56.048 0.133 0.000 1.205 422 H CB -0.637 29.202 29.762 0.128 0.000 1.460 422 H HN 0.005 nan 8.280 nan 0.000 0.478 423 F N 2.912 122.896 119.950 0.057 0.000 2.048 423 F HA -0.372 4.107 4.527 -0.080 0.000 0.296 423 F C 2.613 178.250 175.800 -0.270 0.000 1.109 423 F CA 2.269 60.151 58.000 -0.196 0.000 1.214 423 F CB -0.225 38.623 39.000 -0.253 0.000 0.963 423 F HN 0.138 nan 8.300 nan 0.000 0.491 424 A N -0.111 122.595 122.820 -0.191 0.000 1.873 424 A HA -0.287 3.983 4.320 -0.082 0.000 0.218 424 A C 2.254 179.258 177.584 -0.966 0.000 1.193 424 A CA 2.259 53.850 52.037 -0.744 0.000 0.629 424 A CB -0.916 17.437 19.000 -1.077 0.000 0.826 424 A HN 0.522 nan 8.150 nan 0.000 0.447 425 K N -0.912 119.157 120.400 -0.552 0.000 2.009 425 K HA -0.165 4.106 4.320 -0.082 0.000 0.210 425 K C 2.376 178.804 176.600 -0.288 0.000 1.049 425 K CA 1.766 57.837 56.287 -0.360 0.000 0.929 425 K CB -0.222 32.205 32.500 -0.122 0.000 0.714 425 K HN 0.416 nan 8.250 nan 0.000 0.440 426 R N 0.540 120.884 120.500 -0.260 0.000 2.091 426 R HA -0.152 4.139 4.340 -0.082 0.000 0.238 426 R C 2.342 178.476 176.300 -0.276 0.000 1.136 426 R CA 1.130 57.088 56.100 -0.236 0.000 0.959 426 R CB -0.398 29.751 30.300 -0.252 0.000 0.856 426 R HN 0.118 nan 8.270 nan 0.000 0.437 427 L N 0.284 121.262 121.223 -0.409 0.000 2.017 427 L HA -0.167 4.124 4.340 -0.082 0.000 0.208 427 L C 1.808 178.595 176.870 -0.138 0.000 1.073 427 L CA 1.893 56.555 54.840 -0.297 0.000 0.745 427 L CB -0.556 41.331 42.059 -0.286 0.000 0.894 427 L HN 0.238 nan 8.230 nan 0.000 0.432 428 H N -1.009 117.850 119.070 -0.353 0.000 2.387 428 H HA -0.176 4.331 4.556 -0.082 0.000 0.299 428 H C 2.097 177.342 175.328 -0.138 0.000 1.099 428 H CA 1.376 57.161 56.048 -0.437 0.000 1.315 428 H CB 0.157 29.654 29.762 -0.442 0.000 1.380 428 H HN 0.343 nan 8.280 nan 0.000 0.513 429 K N 0.202 120.608 120.400 0.010 0.000 2.044 429 K HA -0.081 4.190 4.320 -0.082 0.000 0.204 429 K C 2.165 178.770 176.600 0.007 0.000 1.049 429 K CA 1.420 57.712 56.287 0.009 0.000 0.945 429 K CB 0.203 32.687 32.500 -0.026 0.000 0.724 429 K HN 0.129 nan 8.250 nan 0.000 0.440 430 T N 0.938 115.478 114.554 -0.024 0.000 2.708 430 T HA -0.127 4.174 4.350 -0.082 0.000 0.266 430 T C 1.893 176.607 174.700 0.023 0.000 1.037 430 T CA 1.357 63.445 62.100 -0.020 0.000 1.146 430 T CB -0.215 68.617 68.868 -0.060 0.000 0.865 430 T HN -0.046 nan 8.240 nan 0.000 0.435 431 V N 1.601 121.555 119.914 0.066 0.000 2.233 431 V HA -0.223 3.848 4.120 -0.082 0.000 0.247 431 V C 2.602 178.764 176.094 0.115 0.000 1.050 431 V CA 1.778 64.152 62.300 0.124 0.000 1.010 431 V CB -0.558 31.423 31.823 0.263 0.000 0.637 431 V HN 0.393 nan 8.190 nan 0.000 0.444 432 R N -0.733 119.847 120.500 0.132 0.000 2.211 432 R HA -0.181 4.110 4.340 -0.082 0.000 0.240 432 R C 2.456 178.794 176.300 0.062 0.000 1.144 432 R CA 1.353 57.516 56.100 0.105 0.000 0.992 432 R CB -0.310 30.056 30.300 0.110 0.000 0.869 432 R HN 0.447 nan 8.270 nan 0.000 0.462 433 R N 0.661 121.189 120.500 0.047 0.000 2.090 433 R HA 0.049 4.340 4.340 -0.082 0.000 0.219 433 R C 2.043 178.358 176.300 0.025 0.000 1.100 433 R CA 0.534 56.651 56.100 0.029 0.000 0.991 433 R CB 0.091 30.401 30.300 0.016 0.000 0.893 433 R HN 0.180 nan 8.270 nan 0.000 0.443 434 L N 0.815 122.055 121.223 0.029 0.000 2.201 434 L HA -0.006 4.285 4.340 -0.082 0.000 0.212 434 L C 0.423 177.309 176.870 0.028 0.000 1.105 434 L CA 0.733 55.588 54.840 0.024 0.000 0.775 434 L CB 0.255 42.329 42.059 0.025 0.000 0.913 434 L HN -0.029 nan 8.230 nan 0.000 0.440 435 V N 0.885 120.822 119.914 0.037 0.000 2.313 435 V HA 0.172 4.243 4.120 -0.082 0.000 0.262 435 V C -1.568 174.547 176.094 0.034 0.000 1.011 435 V CA -0.654 61.666 62.300 0.033 0.000 0.858 435 V CB 1.088 32.932 31.823 0.036 0.000 1.104 435 V HN 0.025 nan 8.190 nan 0.000 0.456 436 P HA 0.029 nan 4.420 nan 0.000 0.231 436 P C 1.359 178.673 177.300 0.022 0.000 1.168 436 P CA 0.725 63.841 63.100 0.027 0.000 0.779 436 P CB 0.442 32.154 31.700 0.021 0.000 0.844 437 G N -0.731 108.080 108.800 0.019 0.000 3.234 437 G HA2 0.071 3.982 3.960 -0.082 0.000 0.221 437 G HA3 0.071 3.982 3.960 -0.082 0.000 0.221 437 G C -0.047 174.862 174.900 0.015 0.000 1.229 437 G CA -0.076 45.033 45.100 0.015 0.000 0.909 437 G HN 0.272 nan 8.290 nan 0.000 0.510 438 C N -0.093 119.219 119.300 0.020 0.000 2.455 438 C HA 0.512 4.923 4.460 -0.082 0.000 0.320 438 C C -0.517 174.485 174.990 0.020 0.000 1.226 438 C CA -1.035 57.993 59.018 0.016 0.000 1.569 438 C CB 1.663 29.413 27.740 0.017 0.000 2.200 438 C HN 0.477 nan 8.230 nan 0.000 0.491 439 D N 1.322 121.727 120.400 0.009 0.000 2.193 439 D HA 0.606 5.197 4.640 -0.082 0.000 0.244 439 D C -1.040 175.252 176.300 -0.012 0.000 1.064 439 D CA 0.038 54.042 54.000 0.008 0.000 0.845 439 D CB 1.525 42.326 40.800 0.003 0.000 1.148 439 D HN 0.399 nan 8.370 nan 0.000 0.464 440 V N 4.505 124.413 119.914 -0.010 0.000 2.752 440 V HA 0.503 4.574 4.120 -0.082 0.000 0.302 440 V C -1.632 174.418 176.094 -0.074 0.000 1.133 440 V CA -0.851 61.399 62.300 -0.084 0.000 0.919 440 V CB 1.760 33.511 31.823 -0.120 0.000 1.026 440 V HN 0.686 nan 8.190 nan 0.000 0.429 441 R N 5.856 126.271 120.500 -0.143 0.000 2.338 441 R HA 0.621 4.912 4.340 -0.082 0.000 0.317 441 R C -1.808 174.393 176.300 -0.164 0.000 0.968 441 R CA -0.454 55.608 56.100 -0.062 0.000 0.849 441 R CB 1.296 31.571 30.300 -0.040 0.000 1.128 441 R HN 0.572 nan 8.270 nan 0.000 0.448 442 F N 4.864 124.745 119.950 -0.114 0.000 2.404 442 F HA 0.334 4.811 4.527 -0.083 0.000 0.358 442 F C 0.063 175.868 175.800 0.008 0.000 1.120 442 F CA -0.733 57.225 58.000 -0.070 0.000 1.144 442 F CB 1.195 40.108 39.000 -0.145 0.000 1.133 442 F HN 0.264 nan 8.300 nan 0.000 0.495 443 L N 4.700 126.002 121.223 0.133 0.000 2.289 443 L HA 0.454 4.745 4.340 -0.082 0.000 0.285 443 L C 0.140 177.100 176.870 0.150 0.000 1.049 443 L CA -0.689 54.222 54.840 0.119 0.000 0.804 443 L CB 1.284 43.373 42.059 0.050 0.000 1.195 443 L HN 0.582 nan 8.230 nan 0.000 0.428 444 R N 2.651 123.264 120.500 0.188 0.000 2.265 444 R HA 0.212 4.502 4.340 -0.082 0.000 0.314 444 R C -0.294 176.081 176.300 0.124 0.000 1.053 444 R CA -0.261 55.960 56.100 0.202 0.000 0.931 444 R CB 1.333 31.785 30.300 0.253 0.000 1.024 444 R HN 0.587 nan 8.270 nan 0.000 0.457 445 S N 2.725 118.482 115.700 0.095 0.000 2.481 445 S HA 0.054 4.475 4.470 -0.082 0.000 0.276 445 S C 0.626 175.269 174.600 0.072 0.000 1.247 445 S CA -0.475 57.766 58.200 0.068 0.000 1.053 445 S CB 0.865 64.089 63.200 0.041 0.000 0.925 445 S HN 0.694 nan 8.310 nan 0.000 0.491 446 E N 3.241 123.481 120.200 0.066 0.000 2.307 446 E HA 0.046 4.347 4.350 -0.082 0.000 0.195 446 E C 0.400 177.027 176.600 0.045 0.000 0.975 446 E CA 0.507 56.943 56.400 0.060 0.000 0.878 446 E CB 0.085 29.822 29.700 0.061 0.000 0.845 446 E HN 0.709 nan 8.360 nan 0.000 0.488 447 D N 0.142 120.564 120.400 0.037 0.000 2.379 447 D HA 0.193 4.784 4.640 -0.082 0.000 0.208 447 D C 0.974 177.281 176.300 0.011 0.000 1.065 447 D CA 0.710 54.723 54.000 0.022 0.000 0.848 447 D CB 1.221 42.027 40.800 0.010 0.000 0.949 447 D HN 0.125 nan 8.370 nan 0.000 0.509 448 G N 0.657 109.465 108.800 0.014 0.000 2.796 448 G HA2 -0.261 3.650 3.960 -0.082 0.000 0.571 448 G HA3 -0.261 3.650 3.960 -0.082 0.000 0.571 448 G C 0.753 175.650 174.900 -0.004 0.000 1.370 448 G CA -0.081 45.024 45.100 0.009 0.000 0.856 448 G HN 0.045 nan 8.290 nan 0.000 0.538 449 S N 0.164 115.862 115.700 -0.002 0.000 2.428 449 S HA 0.045 4.466 4.470 -0.082 0.000 0.230 449 S C 2.639 177.228 174.600 -0.020 0.000 1.014 449 S CA 1.938 60.133 58.200 -0.009 0.000 0.957 449 S CB -0.470 62.731 63.200 0.002 0.000 0.784 449 S HN 1.716 nan 8.310 nan 0.000 0.499 450 G N 1.691 110.482 108.800 -0.015 0.000 2.485 450 G HA2 -0.283 3.628 3.960 -0.082 0.000 0.221 450 G HA3 -0.283 3.628 3.960 -0.082 0.000 0.221 450 G C 1.307 176.152 174.900 -0.091 0.000 1.115 450 G CA 1.183 46.265 45.100 -0.030 0.000 0.751 450 G HN 0.494 nan 8.290 nan 0.000 0.567 451 K N 0.044 120.381 120.400 -0.105 0.000 2.007 451 K HA 0.073 4.344 4.320 -0.082 0.000 0.206 451 K C 2.667 179.149 176.600 -0.197 0.000 1.047 451 K CA 1.182 57.364 56.287 -0.176 0.000 0.937 451 K CB -0.599 31.803 32.500 -0.162 0.000 0.718 451 K HN 0.156 nan 8.250 nan 0.000 0.438 452 G N 0.106 108.832 108.800 -0.124 0.000 2.448 452 G HA2 -0.212 3.699 3.960 -0.082 0.000 0.219 452 G HA3 -0.212 3.699 3.960 -0.082 0.000 0.219 452 G C 1.478 176.310 174.900 -0.114 0.000 1.127 452 G CA 0.817 45.858 45.100 -0.099 0.000 0.766 452 G HN 0.437 nan 8.290 nan 0.000 0.552 453 A N 0.920 123.675 122.820 -0.108 0.000 1.968 453 A HA 0.443 4.714 4.320 -0.082 0.000 0.217 453 A C 2.726 180.186 177.584 -0.207 0.000 1.169 453 A CA 1.740 53.719 52.037 -0.096 0.000 0.638 453 A CB -0.492 18.494 19.000 -0.023 0.000 0.812 453 A HN 0.625 nan 8.150 nan 0.000 0.446 454 A N -0.794 121.826 122.820 -0.334 0.000 1.969 454 A HA -0.059 4.212 4.320 -0.082 0.000 0.218 454 A C 2.099 179.226 177.584 -0.761 0.000 1.169 454 A CA 1.732 53.333 52.037 -0.726 0.000 0.635 454 A CB -0.416 18.148 19.000 -0.728 0.000 0.810 454 A HN 0.407 nan 8.150 nan 0.000 0.445 455 M N -0.492 118.859 119.600 -0.414 0.000 2.200 455 M HA -0.055 4.376 4.480 -0.082 0.000 0.265 455 M C 2.140 178.329 176.300 -0.185 0.000 1.066 455 M CA 1.140 56.280 55.300 -0.267 0.000 1.127 455 M CB -1.254 31.262 32.600 -0.139 0.000 1.379 455 M HN 0.231 nan 8.290 nan 0.000 0.420 456 V N 0.045 119.867 119.914 -0.153 0.000 2.427 456 V HA -0.199 3.872 4.120 -0.082 0.000 0.248 456 V C 2.279 178.337 176.094 -0.061 0.000 1.051 456 V CA 1.911 64.165 62.300 -0.076 0.000 1.048 456 V CB -1.171 30.624 31.823 -0.047 0.000 0.666 456 V HN 0.459 nan 8.190 nan 0.000 0.456 457 T N 0.264 114.744 114.554 -0.124 0.000 2.951 457 T HA -0.017 4.284 4.350 -0.082 0.000 0.268 457 T C 2.110 176.877 174.700 0.111 0.000 1.073 457 T CA 1.116 63.211 62.100 -0.009 0.000 1.134 457 T CB -0.316 68.546 68.868 -0.009 0.000 0.884 457 T HN 0.540 nan 8.240 nan 0.000 0.479 458 A N 1.425 124.213 122.820 -0.054 0.000 1.884 458 A HA -0.146 4.125 4.320 -0.082 0.000 0.219 458 A C 2.548 180.212 177.584 0.133 0.000 1.197 458 A CA 1.959 54.067 52.037 0.117 0.000 0.637 458 A CB -1.160 17.834 19.000 -0.010 0.000 0.827 458 A HN 0.379 nan 8.150 nan 0.000 0.450 459 V N -0.506 119.447 119.914 0.065 0.000 2.323 459 V HA -0.145 3.926 4.120 -0.082 0.000 0.244 459 V C 3.047 179.188 176.094 0.078 0.000 1.041 459 V CA 1.745 64.082 62.300 0.063 0.000 1.025 459 V CB -1.391 30.451 31.823 0.032 0.000 0.656 459 V HN 0.644 nan 8.190 nan 0.000 0.451 460 A N -0.594 122.275 122.820 0.082 0.000 1.917 460 A HA -0.315 3.956 4.320 -0.082 0.000 0.219 460 A C 2.182 179.823 177.584 0.096 0.000 1.182 460 A CA 2.424 54.503 52.037 0.070 0.000 0.633 460 A CB -0.867 18.176 19.000 0.071 0.000 0.819 460 A HN 0.644 nan 8.150 nan 0.000 0.448 461 Y N 0.181 120.507 120.300 0.042 0.000 2.114 461 Y HA -0.242 4.259 4.550 -0.083 0.000 0.284 461 Y C 2.563 178.471 175.900 0.013 0.000 1.143 461 Y CA 2.392 60.514 58.100 0.038 0.000 1.135 461 Y CB -0.426 38.073 38.460 0.065 0.000 0.980 461 Y HN 0.335 nan 8.280 nan 0.000 0.499 462 R N 0.217 120.819 120.500 0.169 0.000 2.115 462 R HA -0.239 4.052 4.340 -0.082 0.000 0.239 462 R C 2.274 178.548 176.300 -0.043 0.000 1.133 462 R CA 2.620 58.755 56.100 0.057 0.000 0.935 462 R CB -0.803 29.547 30.300 0.083 0.000 0.853 462 R HN 0.505 nan 8.270 nan 0.000 0.433 463 L N 0.045 121.255 121.223 -0.022 0.000 2.042 463 L HA -0.198 4.093 4.340 -0.082 0.000 0.210 463 L C 2.731 179.561 176.870 -0.068 0.000 1.076 463 L CA 1.426 56.242 54.840 -0.041 0.000 0.749 463 L CB -0.651 41.388 42.059 -0.033 0.000 0.893 463 L HN 0.433 nan 8.230 nan 0.000 0.432 464 A N -0.348 122.408 122.820 -0.108 0.000 1.940 464 A HA -0.290 3.981 4.320 -0.082 0.000 0.219 464 A C 1.956 179.449 177.584 -0.153 0.000 1.176 464 A CA 2.274 54.236 52.037 -0.125 0.000 0.631 464 A CB -0.566 18.329 19.000 -0.176 0.000 0.814 464 A HN 0.446 nan 8.150 nan 0.000 0.446 465 D N -1.163 119.083 120.400 -0.257 0.000 2.137 465 D HA -0.088 4.503 4.640 -0.082 0.000 0.202 465 D C 2.228 178.445 176.300 -0.137 0.000 0.970 465 D CA 1.270 55.121 54.000 -0.249 0.000 0.837 465 D CB -0.123 40.484 40.800 -0.321 0.000 0.981 465 D HN 0.558 nan 8.370 nan 0.000 0.475 466 Q N -0.967 118.771 119.800 -0.104 0.000 2.050 466 Q HA -0.219 4.072 4.340 -0.082 0.000 0.202 466 Q C 1.976 177.907 176.000 -0.115 0.000 0.980 466 Q CA 1.553 57.294 55.803 -0.104 0.000 0.840 466 Q CB -0.278 28.411 28.738 -0.083 0.000 0.898 466 Q HN 0.456 nan 8.270 nan 0.000 0.424 467 H N 0.969 119.940 119.070 -0.165 0.000 2.265 467 H HA -0.155 4.352 4.556 -0.082 0.000 0.295 467 H C 2.071 177.310 175.328 -0.148 0.000 1.084 467 H CA 2.247 58.200 56.048 -0.157 0.000 1.261 467 H CB -0.028 29.660 29.762 -0.124 0.000 1.360 467 H HN 0.033 nan 8.280 nan 0.000 0.487 468 R N -0.309 120.073 120.500 -0.197 0.000 2.103 468 R HA -0.169 4.122 4.340 -0.082 0.000 0.242 468 R C 2.420 178.599 176.300 -0.201 0.000 1.142 468 R CA 1.452 57.418 56.100 -0.224 0.000 0.960 468 R CB -0.485 29.736 30.300 -0.131 0.000 0.858 468 R HN 0.470 nan 8.270 nan 0.000 0.439 469 A N 0.395 123.110 122.820 -0.175 0.000 1.969 469 A HA -0.127 4.144 4.320 -0.082 0.000 0.218 469 A C 2.067 179.527 177.584 -0.207 0.000 1.169 469 A CA 1.202 53.151 52.037 -0.147 0.000 0.635 469 A CB -0.315 18.607 19.000 -0.130 0.000 0.810 469 A HN 0.305 nan 8.150 nan 0.000 0.445 470 R N -0.271 120.017 120.500 -0.354 0.000 2.062 470 R HA -0.139 4.152 4.340 -0.082 0.000 0.229 470 R C 2.428 178.619 176.300 -0.181 0.000 1.128 470 R CA 1.610 57.409 56.100 -0.503 0.000 0.960 470 R CB -0.336 29.573 30.300 -0.651 0.000 0.855 470 R HN 0.865 nan 8.270 nan 0.000 0.432 471 Q N 0.235 119.885 119.800 -0.251 0.000 2.369 471 Q HA -0.005 4.286 4.340 -0.082 0.000 0.206 471 Q C 2.028 177.993 176.000 -0.059 0.000 0.963 471 Q CA 1.448 57.155 55.803 -0.160 0.000 0.894 471 Q CB -0.259 28.311 28.738 -0.281 0.000 0.965 471 Q HN 0.183 nan 8.270 nan 0.000 0.475 472 K N 1.421 121.793 120.400 -0.046 0.000 2.057 472 K HA -0.078 4.192 4.320 -0.082 0.000 0.206 472 K C 2.123 178.826 176.600 0.173 0.000 1.050 472 K CA 1.829 58.132 56.287 0.027 0.000 0.935 472 K CB -1.488 31.025 32.500 0.021 0.000 0.715 472 K HN 0.370 nan 8.250 nan 0.000 0.439 473 T N 1.557 116.246 114.554 0.225 0.000 2.674 473 T HA -0.038 4.263 4.350 -0.082 0.000 0.265 473 T C 1.976 176.884 174.700 0.347 0.000 1.039 473 T CA 1.404 63.727 62.100 0.372 0.000 1.150 473 T CB -0.280 68.879 68.868 0.485 0.000 0.864 473 T HN 0.338 nan 8.240 nan 0.000 0.427 474 L N 0.747 122.111 121.223 0.235 0.000 2.362 474 L HA -0.034 4.257 4.340 -0.082 0.000 0.219 474 L C 2.575 179.505 176.870 0.099 0.000 1.134 474 L CA 1.065 55.991 54.840 0.143 0.000 0.807 474 L CB -0.620 41.496 42.059 0.095 0.000 0.927 474 L HN 0.362 nan 8.230 nan 0.000 0.447 475 E N -0.368 119.877 120.200 0.075 0.000 2.204 475 E HA -0.212 4.089 4.350 -0.082 0.000 0.195 475 E C 1.797 178.377 176.600 -0.034 0.000 0.990 475 E CA 0.878 57.268 56.400 -0.017 0.000 0.821 475 E CB 0.004 29.652 29.700 -0.088 0.000 0.750 475 E HN 0.585 nan 8.360 nan 0.000 0.477 476 H N -0.977 118.129 119.070 0.060 0.000 2.521 476 H HA -0.033 4.474 4.556 -0.082 0.000 0.286 476 H C 0.877 176.245 175.328 0.068 0.000 1.034 476 H CA 0.662 56.753 56.048 0.071 0.000 1.278 476 H CB 0.293 30.112 29.762 0.095 0.000 1.386 476 H HN 0.019 nan 8.280 nan 0.000 0.567 477 L N 0.241 121.556 121.223 0.153 0.000 2.769 477 L HA 0.186 4.477 4.340 -0.082 0.000 0.240 477 L C -0.204 176.674 176.870 0.012 0.000 1.163 477 L CA 0.376 55.266 54.840 0.083 0.000 0.962 477 L CB 0.477 42.579 42.059 0.073 0.000 1.258 477 L HN 0.117 nan 8.230 nan 0.000 0.513 478 Q N 0.737 120.535 119.800 -0.003 0.000 2.331 478 Q HA 0.619 4.910 4.340 -0.082 0.000 0.267 478 Q C -1.071 174.892 176.000 -0.062 0.000 1.006 478 Q CA -0.302 55.477 55.803 -0.040 0.000 0.818 478 Q CB 2.614 31.331 28.738 -0.036 0.000 1.276 478 Q HN 0.156 nan 8.270 nan 0.000 0.450 479 L N 1.645 122.810 121.223 -0.097 0.000 2.346 479 L HA 0.532 4.823 4.340 -0.082 0.000 0.276 479 L C 0.228 177.034 176.870 -0.106 0.000 1.006 479 L CA -0.733 54.020 54.840 -0.145 0.000 0.817 479 L CB 1.919 43.834 42.059 -0.240 0.000 1.272 479 L HN 0.661 nan 8.230 nan 0.000 0.421 480 S N -0.081 115.567 115.700 -0.086 0.000 2.693 480 S HA 0.182 4.603 4.470 -0.082 0.000 0.276 480 S C 1.101 175.692 174.600 -0.016 0.000 1.192 480 S CA -0.526 57.657 58.200 -0.028 0.000 0.994 480 S CB 1.079 64.278 63.200 -0.001 0.000 1.012 480 S HN 0.759 nan 8.310 nan 0.000 0.550 481 H N 0.928 119.966 119.070 -0.054 0.000 2.357 481 H HA -0.166 4.341 4.556 -0.082 0.000 0.296 481 H C 0.817 176.123 175.328 -0.037 0.000 1.108 481 H CA 2.605 58.626 56.048 -0.044 0.000 1.273 481 H CB -0.257 29.487 29.762 -0.030 0.000 1.367 481 H HN 0.719 nan 8.280 nan 0.000 0.498 482 D N 0.251 120.691 120.400 0.067 0.000 2.149 482 D HA -0.101 4.490 4.640 -0.082 0.000 0.201 482 D C 2.391 178.682 176.300 -0.015 0.000 0.972 482 D CA 0.665 54.686 54.000 0.036 0.000 0.835 482 D CB -0.259 40.585 40.800 0.073 0.000 0.966 482 D HN 0.539 nan 8.370 nan 0.000 0.476 483 Q N 0.001 119.772 119.800 -0.048 0.000 2.124 483 Q HA -0.023 4.268 4.340 -0.082 0.000 0.202 483 Q C 2.332 178.197 176.000 -0.224 0.000 0.977 483 Q CA 0.700 56.426 55.803 -0.128 0.000 0.850 483 Q CB 0.047 28.622 28.738 -0.272 0.000 0.901 483 Q HN 0.301 nan 8.270 nan 0.000 0.429 484 L N -0.099 120.994 121.223 -0.216 0.000 2.240 484 L HA -0.098 4.193 4.340 -0.082 0.000 0.211 484 L C 2.104 178.871 176.870 -0.171 0.000 1.106 484 L CA 0.473 55.188 54.840 -0.210 0.000 0.793 484 L CB -0.227 41.701 42.059 -0.219 0.000 0.927 484 L HN 0.269 nan 8.230 nan 0.000 0.446 485 L N -0.075 121.030 121.223 -0.195 0.000 2.131 485 L HA -0.212 4.079 4.340 -0.082 0.000 0.210 485 L C 2.610 179.459 176.870 -0.034 0.000 1.092 485 L CA 1.028 55.792 54.840 -0.126 0.000 0.759 485 L CB -0.208 41.786 42.059 -0.107 0.000 0.903 485 L HN 0.278 nan 8.230 nan 0.000 0.435 486 E N -0.005 120.200 120.200 0.008 0.000 2.051 486 E HA -0.130 4.171 4.350 -0.082 0.000 0.189 486 E C 2.082 178.766 176.600 0.141 0.000 0.979 486 E CA 1.101 57.559 56.400 0.095 0.000 0.803 486 E CB -0.185 29.625 29.700 0.182 0.000 0.761 486 E HN 0.144 nan 8.360 nan 0.000 0.451 487 V N 1.649 121.638 119.914 0.125 0.000 2.380 487 V HA -0.289 3.782 4.120 -0.082 0.000 0.251 487 V C 2.546 178.699 176.094 0.099 0.000 1.063 487 V CA 2.278 64.671 62.300 0.156 0.000 1.055 487 V CB -0.622 31.222 31.823 0.035 0.000 0.657 487 V HN 0.339 nan 8.190 nan 0.000 0.455 488 K N 0.094 120.499 120.400 0.009 0.000 2.097 488 K HA -0.194 4.077 4.320 -0.082 0.000 0.205 488 K C 2.413 178.990 176.600 -0.038 0.000 1.050 488 K CA 1.424 57.687 56.287 -0.039 0.000 0.938 488 K CB -0.128 32.342 32.500 -0.050 0.000 0.718 488 K HN 0.343 nan 8.250 nan 0.000 0.442 489 R N 0.694 121.195 120.500 0.002 0.000 2.066 489 R HA -0.074 4.217 4.340 -0.082 0.000 0.232 489 R C 2.298 178.607 176.300 0.016 0.000 1.131 489 R CA 1.305 57.409 56.100 0.006 0.000 0.955 489 R CB -0.034 30.280 30.300 0.024 0.000 0.851 489 R HN 0.174 nan 8.270 nan 0.000 0.432 490 R N -0.008 120.541 120.500 0.082 0.000 2.091 490 R HA -0.171 4.120 4.340 -0.082 0.000 0.238 490 R C 2.319 178.646 176.300 0.046 0.000 1.136 490 R CA 1.827 58.016 56.100 0.148 0.000 0.959 490 R CB -0.431 30.045 30.300 0.293 0.000 0.856 490 R HN 0.207 nan 8.270 nan 0.000 0.437 491 M N 1.454 120.945 119.600 -0.181 0.000 2.144 491 M HA -0.194 4.237 4.480 -0.082 0.000 0.260 491 M C 1.935 178.018 176.300 -0.361 0.000 1.067 491 M CA 1.755 56.604 55.300 -0.753 0.000 1.095 491 M CB -0.115 32.038 32.600 -0.746 0.000 1.365 491 M HN -0.095 nan 8.290 nan 0.000 0.406 492 K N -0.881 119.413 120.400 -0.177 0.000 2.057 492 K HA -0.104 4.167 4.320 -0.082 0.000 0.206 492 K C 1.844 178.409 176.600 -0.059 0.000 1.050 492 K CA 1.591 57.817 56.287 -0.101 0.000 0.935 492 K CB -0.333 32.131 32.500 -0.060 0.000 0.715 492 K HN 0.404 nan 8.250 nan 0.000 0.439 493 V N -0.040 119.853 119.914 -0.035 0.000 2.626 493 V HA -0.117 3.954 4.120 -0.082 0.000 0.252 493 V C 1.548 177.639 176.094 -0.005 0.000 1.067 493 V CA 1.563 63.859 62.300 -0.007 0.000 1.081 493 V CB -0.234 31.596 31.823 0.011 0.000 0.686 493 V HN 0.218 nan 8.190 nan 0.000 0.468 494 E N 0.320 120.504 120.200 -0.027 0.000 2.204 494 E HA -0.088 4.213 4.350 -0.082 0.000 0.194 494 E C 2.105 178.689 176.600 -0.027 0.000 0.989 494 E CA 1.715 58.105 56.400 -0.018 0.000 0.824 494 E CB -0.384 29.301 29.700 -0.025 0.000 0.756 494 E HN 0.677 nan 8.360 nan 0.000 0.477 495 M N 0.262 119.832 119.600 -0.050 0.000 2.229 495 M HA -0.121 4.310 4.480 -0.082 0.000 0.264 495 M C 1.891 178.217 176.300 0.043 0.000 1.063 495 M CA 1.278 56.584 55.300 0.009 0.000 1.114 495 M CB -0.107 32.498 32.600 0.007 0.000 1.387 495 M HN 0.033 nan 8.290 nan 0.000 0.420 496 E N -0.237 119.978 120.200 0.026 0.000 2.107 496 E HA -0.148 4.153 4.350 -0.082 0.000 0.191 496 E C 2.080 178.704 176.600 0.040 0.000 0.982 496 E CA 0.628 57.048 56.400 0.034 0.000 0.809 496 E CB -0.173 29.540 29.700 0.022 0.000 0.756 496 E HN 0.414 nan 8.360 nan 0.000 0.459 497 R N 0.613 121.133 120.500 0.033 0.000 2.091 497 R HA -0.116 4.175 4.340 -0.082 0.000 0.238 497 R C 2.306 178.639 176.300 0.056 0.000 1.136 497 R CA 1.630 57.752 56.100 0.037 0.000 0.959 497 R CB -0.331 29.985 30.300 0.026 0.000 0.856 497 R HN 0.209 nan 8.270 nan 0.000 0.437 498 G N 0.048 108.886 108.800 0.064 0.000 2.511 498 G HA2 -0.100 3.811 3.960 -0.082 0.000 0.217 498 G HA3 -0.100 3.811 3.960 -0.082 0.000 0.217 498 G C 1.403 176.431 174.900 0.214 0.000 1.133 498 G CA -0.042 45.126 45.100 0.113 0.000 0.792 498 G HN 0.190 nan 8.290 nan 0.000 0.539 499 L N 0.759 122.054 121.223 0.120 0.000 2.131 499 L HA 0.092 4.383 4.340 -0.082 0.000 0.206 499 L C 1.905 178.809 176.870 0.055 0.000 1.087 499 L CA 0.319 55.205 54.840 0.077 0.000 0.767 499 L CB -0.202 41.886 42.059 0.049 0.000 0.917 499 L HN 0.254 nan 8.230 nan 0.000 0.441 500 S N 0.707 116.444 115.700 0.061 0.000 2.498 500 S HA -0.012 4.409 4.470 -0.082 0.000 0.281 500 S C 1.245 175.885 174.600 0.067 0.000 1.265 500 S CA -0.511 57.717 58.200 0.047 0.000 1.071 500 S CB 0.774 63.999 63.200 0.041 0.000 0.894 500 S HN 0.361 nan 8.310 nan 0.000 0.491 501 K N 3.993 124.412 120.400 0.032 0.000 2.211 501 K HA -0.125 4.146 4.320 -0.082 0.000 0.203 501 K C 1.780 178.414 176.600 0.057 0.000 1.050 501 K CA 1.455 57.760 56.287 0.030 0.000 0.945 501 K CB -0.284 32.205 32.500 -0.018 0.000 0.732 501 K HN 0.789 nan 8.250 nan 0.000 0.451 502 E N 1.511 121.736 120.200 0.042 0.000 2.130 502 E HA -0.216 4.085 4.350 -0.082 0.000 0.196 502 E C 1.073 177.703 176.600 0.051 0.000 0.998 502 E CA 2.012 58.435 56.400 0.038 0.000 0.806 502 E CB -0.062 29.654 29.700 0.027 0.000 0.738 502 E HN 0.587 nan 8.360 nan 0.000 0.459 503 T N -3.267 111.326 114.554 0.065 0.000 3.040 503 T HA 0.065 4.366 4.350 -0.082 0.000 0.266 503 T C 1.324 176.070 174.700 0.076 0.000 1.005 503 T CA 0.281 62.416 62.100 0.058 0.000 0.906 503 T CB -0.222 68.670 68.868 0.040 0.000 1.082 503 T HN 0.287 nan 8.240 nan 0.000 0.531 504 H N 2.375 121.454 119.070 0.015 0.000 2.353 504 H HA 0.070 4.577 4.556 -0.082 0.000 0.298 504 H C 2.324 177.665 175.328 0.021 0.000 1.103 504 H CA 2.069 58.127 56.048 0.018 0.000 1.293 504 H CB -0.493 29.278 29.762 0.015 0.000 1.372 504 H HN 0.436 nan 8.280 nan 0.000 0.501 505 A N -0.175 122.686 122.820 0.068 0.000 1.933 505 A HA -0.162 4.109 4.320 -0.082 0.000 0.218 505 A C 2.482 180.033 177.584 -0.055 0.000 1.175 505 A CA 1.836 53.880 52.037 0.012 0.000 0.628 505 A CB -0.761 18.280 19.000 0.068 0.000 0.814 505 A HN 0.646 nan 8.150 nan 0.000 0.444 506 S N -0.950 114.729 115.700 -0.035 0.000 2.575 506 S HA 0.551 4.972 4.470 -0.082 0.000 0.215 506 S C 0.755 175.328 174.600 -0.044 0.000 0.966 506 S CA 0.310 58.492 58.200 -0.029 0.000 0.911 506 S CB -0.437 62.760 63.200 -0.006 0.000 0.780 506 S HN 0.816 nan 8.310 nan 0.000 0.514 507 A N 3.122 125.890 122.820 -0.086 0.000 2.363 507 A HA 0.606 4.877 4.320 -0.082 0.000 0.270 507 A C -0.899 176.650 177.584 -0.059 0.000 1.121 507 A CA -1.651 50.347 52.037 -0.066 0.000 0.800 507 A CB 0.549 19.504 19.000 -0.075 0.000 1.052 507 A HN 0.316 nan 8.150 nan 0.000 0.493 508 P HA -0.040 nan 4.420 nan 0.000 0.216 508 P C 0.291 177.625 177.300 0.056 0.000 1.153 508 P CA 0.880 64.000 63.100 0.033 0.000 0.844 508 P CB -0.039 31.703 31.700 0.069 0.000 0.787 509 V N 2.702 122.655 119.914 0.065 0.000 2.353 509 V HA 0.116 4.187 4.120 -0.082 0.000 0.264 509 V C 1.588 177.710 176.094 0.047 0.000 1.049 509 V CA -0.028 62.320 62.300 0.081 0.000 0.896 509 V CB 0.867 32.724 31.823 0.056 0.000 1.025 509 V HN -0.030 nan 8.190 nan 0.000 0.475 510 K N 3.672 124.101 120.400 0.049 0.000 2.167 510 K HA 0.144 4.415 4.320 -0.082 0.000 0.203 510 K C 0.844 177.536 176.600 0.153 0.000 1.052 510 K CA 0.397 56.700 56.287 0.026 0.000 0.956 510 K CB -0.060 32.462 32.500 0.036 0.000 0.735 510 K HN 0.671 nan 8.250 nan 0.000 0.451 511 M N 0.519 120.196 119.600 0.128 0.000 2.399 511 M HA -0.207 4.224 4.480 -0.082 0.000 0.191 511 M C -0.837 175.520 176.300 0.094 0.000 0.732 511 M CA 0.544 55.913 55.300 0.115 0.000 0.512 511 M CB -2.594 30.078 32.600 0.120 0.000 1.191 511 M HN -0.018 nan 8.290 nan 0.000 0.894 512 L N 2.086 123.358 121.223 0.082 0.000 2.361 512 L HA 0.302 4.593 4.340 -0.082 0.000 0.278 512 L C -1.529 175.338 176.870 -0.006 0.000 1.113 512 L CA -1.607 53.273 54.840 0.067 0.000 0.849 512 L CB 0.430 42.539 42.059 0.082 0.000 1.155 512 L HN 0.089 nan 8.230 nan 0.000 0.452 513 P HA -0.039 nan 4.420 nan 0.000 0.261 513 P C 0.616 177.888 177.300 -0.046 0.000 1.183 513 P CA 0.267 63.285 63.100 -0.136 0.000 0.761 513 P CB 0.660 32.225 31.700 -0.225 0.000 0.785 514 T N -0.198 114.318 114.554 -0.063 0.000 3.014 514 T HA 0.030 4.331 4.350 -0.082 0.000 0.250 514 T C 0.337 175.144 174.700 0.178 0.000 1.060 514 T CA -0.047 62.083 62.100 0.050 0.000 1.040 514 T CB -0.732 68.135 68.868 -0.001 0.000 0.971 514 T HN 0.288 nan 8.240 nan 0.000 0.497 515 Y N 0.368 120.648 120.300 -0.034 0.000 3.689 515 Y HA -0.150 4.351 4.550 -0.082 0.000 0.221 515 Y C -0.257 175.627 175.900 -0.027 0.000 1.247 515 Y CA -0.192 57.891 58.100 -0.029 0.000 1.671 515 Y CB -2.454 35.994 38.460 -0.020 0.000 1.521 515 Y HN 0.215 nan 8.280 nan 0.000 0.632 516 V N 0.109 120.038 119.914 0.025 0.000 2.357 516 V HA 0.540 4.611 4.120 -0.082 0.000 0.284 516 V C 0.453 176.529 176.094 -0.030 0.000 1.018 516 V CA -0.683 61.622 62.300 0.008 0.000 0.841 516 V CB 1.412 33.231 31.823 -0.006 0.000 0.991 516 V HN 0.426 nan 8.190 nan 0.000 0.437 527 D N -0.145 120.057 120.400 -0.329 0.000 2.175 527 D HA 0.759 5.350 4.640 -0.082 0.000 0.248 527 D C -0.890 175.057 176.300 -0.588 0.000 1.047 527 D CA 0.349 54.213 54.000 -0.226 0.000 0.883 527 D CB 1.428 42.151 40.800 -0.127 0.000 1.180 527 D HN 0.182 nan 8.370 nan 0.000 0.438 528 F N 0.256 120.235 119.950 0.048 0.000 2.613 528 F HA 0.453 4.931 4.527 -0.082 0.000 0.310 528 F C -0.349 175.495 175.800 0.074 0.000 1.085 528 F CA -0.951 57.078 58.000 0.049 0.000 0.945 528 F CB 1.225 40.246 39.000 0.034 0.000 1.298 528 F HN -0.015 nan 8.300 nan 0.000 0.455 529 L N 1.797 123.184 121.223 0.273 0.000 2.344 529 L HA 0.919 5.210 4.340 -0.082 0.000 0.272 529 L C -0.453 176.509 176.870 0.153 0.000 1.035 529 L CA -0.718 54.237 54.840 0.193 0.000 0.807 529 L CB 1.782 43.921 42.059 0.135 0.000 1.237 529 L HN 0.800 nan 8.230 nan 0.000 0.442 530 A N 3.050 125.919 122.820 0.080 0.000 2.515 530 A HA 0.827 5.098 4.320 -0.082 0.000 0.298 530 A C -1.436 176.144 177.584 -0.006 0.000 1.059 530 A CA -0.492 51.578 52.037 0.055 0.000 0.698 530 A CB 1.463 20.491 19.000 0.047 0.000 1.289 530 A HN 0.568 nan 8.150 nan 0.000 0.404 531 L N 1.074 122.343 121.223 0.076 0.000 2.362 531 L HA 0.581 4.872 4.340 -0.082 0.000 0.271 531 L C -1.132 175.900 176.870 0.270 0.000 1.002 531 L CA -0.762 54.156 54.840 0.129 0.000 0.818 531 L CB 2.239 44.376 42.059 0.130 0.000 1.298 531 L HN 0.708 nan 8.230 nan 0.000 0.420 532 D N 3.110 123.650 120.400 0.234 0.000 2.440 532 D HA 0.446 5.037 4.640 -0.082 0.000 0.252 532 D C -1.613 174.931 176.300 0.406 0.000 1.180 532 D CA -0.229 53.914 54.000 0.239 0.000 0.894 532 D CB 1.551 42.403 40.800 0.086 0.000 1.111 532 D HN 0.156 nan 8.370 nan 0.000 0.544 533 L N 3.095 124.598 121.223 0.465 0.000 2.356 533 L HA 0.764 5.055 4.340 -0.082 0.000 0.277 533 L C 0.853 177.813 176.870 0.150 0.000 0.996 533 L CA 0.269 55.403 54.840 0.490 0.000 0.822 533 L CB 1.691 44.159 42.059 0.682 0.000 1.256 533 L HN 0.575 nan 8.230 nan 0.000 0.413 534 G N 2.360 111.195 108.800 0.058 0.000 2.227 534 G HA2 -0.034 3.877 3.960 -0.082 0.000 0.168 534 G HA3 -0.034 3.877 3.960 -0.082 0.000 0.168 534 G C 0.202 174.954 174.900 -0.245 0.000 1.006 534 G CA -0.115 44.742 45.100 -0.404 0.000 0.684 534 G HN 1.129 nan 8.290 nan 0.000 0.489 535 G N -0.319 108.459 108.800 -0.037 0.000 2.890 535 G HA2 0.579 4.490 3.960 -0.082 0.000 0.189 535 G HA3 0.579 4.490 3.960 -0.082 0.000 0.189 535 G C 1.338 176.288 174.900 0.083 0.000 1.342 535 G CA 1.218 46.315 45.100 -0.005 0.000 1.026 535 G HN 0.779 nan 8.290 nan 0.000 0.579 536 T N -0.919 113.668 114.554 0.055 0.000 2.857 536 T HA 0.036 4.337 4.350 -0.082 0.000 0.266 536 T C 0.698 175.453 174.700 0.091 0.000 1.048 536 T CA 0.631 62.768 62.100 0.062 0.000 1.139 536 T CB -0.113 68.772 68.868 0.027 0.000 0.874 536 T HN 0.242 nan 8.240 nan 0.000 0.455 537 N N 0.882 119.639 118.700 0.096 0.000 2.284 537 N HA 0.437 5.128 4.740 -0.082 0.000 0.300 537 N C -1.857 173.774 175.510 0.201 0.000 1.047 537 N CA -0.693 52.429 53.050 0.119 0.000 0.821 537 N CB 1.918 40.432 38.487 0.046 0.000 1.337 537 N HN 0.223 nan 8.380 nan 0.000 0.482 538 F N 2.407 122.420 119.950 0.104 0.000 2.411 538 F HA 0.415 4.893 4.527 -0.082 0.000 0.355 538 F C -0.025 175.833 175.800 0.097 0.000 1.117 538 F CA -0.549 57.532 58.000 0.135 0.000 1.139 538 F CB 0.476 39.586 39.000 0.183 0.000 1.120 538 F HN 0.240 nan 8.300 nan 0.000 0.493 539 R N 4.618 124.854 120.500 -0.439 0.000 2.670 539 R HA 0.695 4.986 4.340 -0.082 0.000 0.289 539 R C -1.431 174.457 176.300 -0.687 0.000 0.965 539 R CA -1.154 54.637 56.100 -0.515 0.000 0.899 539 R CB 2.412 32.560 30.300 -0.252 0.000 1.173 539 R HN 0.490 nan 8.270 nan 0.000 0.456 540 V N 4.026 123.545 119.914 -0.658 0.000 2.532 540 V HA 0.523 4.594 4.120 -0.082 0.000 0.295 540 V C -0.518 175.021 176.094 -0.925 0.000 1.041 540 V CA -0.804 61.082 62.300 -0.689 0.000 0.926 540 V CB 1.510 32.910 31.823 -0.706 0.000 0.992 540 V HN 0.487 nan 8.190 nan 0.000 0.457 541 L N 4.301 125.181 121.223 -0.571 0.000 2.409 541 L HA 0.627 4.918 4.340 -0.082 0.000 0.262 541 L C -0.834 176.146 176.870 0.184 0.000 0.992 541 L CA -0.536 54.162 54.840 -0.236 0.000 0.817 541 L CB 1.857 43.880 42.059 -0.060 0.000 1.350 541 L HN 0.511 nan 8.230 nan 0.000 0.411 542 L N 2.704 124.231 121.223 0.505 0.000 2.287 542 L HA 0.690 4.981 4.340 -0.082 0.000 0.287 542 L C -0.936 176.121 176.870 0.313 0.000 1.022 542 L CA -0.156 54.940 54.840 0.426 0.000 0.814 542 L CB 1.486 43.773 42.059 0.380 0.000 1.217 542 L HN 0.360 nan 8.230 nan 0.000 0.420 543 V N 6.232 126.299 119.914 0.255 0.000 2.266 543 V HA 0.425 4.496 4.120 -0.082 0.000 0.271 543 V C 0.301 176.540 176.094 0.243 0.000 1.032 543 V CA -0.598 61.822 62.300 0.200 0.000 0.806 543 V CB 0.576 32.473 31.823 0.122 0.000 1.052 543 V HN 0.644 nan 8.190 nan 0.000 0.449 544 R N 3.016 123.635 120.500 0.198 0.000 2.345 544 R HA 0.349 4.640 4.340 -0.082 0.000 0.331 544 R C -0.542 175.840 176.300 0.136 0.000 1.067 544 R CA -0.198 56.001 56.100 0.165 0.000 0.962 544 R CB 0.870 31.253 30.300 0.137 0.000 0.987 544 R HN 0.472 nan 8.270 nan 0.000 0.451 545 V N 3.681 123.702 119.914 0.180 0.000 2.509 545 V HA 0.397 4.468 4.120 -0.082 0.000 0.284 545 V C 0.623 176.787 176.094 0.116 0.000 1.047 545 V CA -0.500 61.873 62.300 0.122 0.000 0.952 545 V CB 1.410 33.309 31.823 0.126 0.000 0.988 545 V HN 0.642 nan 8.190 nan 0.000 0.469 553 V N 1.120 121.077 119.914 0.072 0.000 2.383 553 V HA 0.529 4.600 4.120 -0.082 0.000 0.275 553 V C 0.144 176.234 176.094 -0.007 0.000 1.036 553 V CA -0.321 61.959 62.300 -0.033 0.000 0.889 553 V CB 1.130 32.813 31.823 -0.232 0.000 0.985 553 V HN 0.732 nan 8.190 nan 0.000 0.459 554 E N 5.801 126.010 120.200 0.014 0.000 2.158 554 E HA 0.657 4.958 4.350 -0.082 0.000 0.271 554 E C -1.176 175.418 176.600 -0.010 0.000 0.911 554 E CA -0.672 55.727 56.400 -0.003 0.000 0.767 554 E CB 1.367 31.100 29.700 0.055 0.000 1.120 554 E HN 0.657 nan 8.360 nan 0.000 0.405 555 M N 3.927 123.444 119.600 -0.138 0.000 2.393 555 M HA 0.408 4.839 4.480 -0.082 0.000 0.299 555 M C -0.942 175.191 176.300 -0.278 0.000 1.103 555 M CA -0.691 54.556 55.300 -0.088 0.000 0.910 555 M CB 2.206 34.778 32.600 -0.047 0.000 1.659 555 M HN 0.507 nan 8.290 nan 0.000 0.445 556 H N 1.414 120.572 119.070 0.147 0.000 2.894 556 H HA 0.730 5.237 4.556 -0.082 0.000 0.368 556 H C -1.257 174.239 175.328 0.281 0.000 1.181 556 H CA -0.935 55.243 56.048 0.215 0.000 1.146 556 H CB 2.326 32.234 29.762 0.245 0.000 1.839 556 H HN 0.799 nan 8.280 nan 0.000 0.557 557 N N -0.084 118.868 118.700 0.420 0.000 3.185 557 N HA 0.285 4.976 4.740 -0.082 0.000 0.238 557 N C -1.785 173.818 175.510 0.156 0.000 1.451 557 N CA -0.965 52.186 53.050 0.168 0.000 0.888 557 N CB 2.489 40.954 38.487 -0.037 0.000 1.413 557 N HN 0.502 nan 8.380 nan 0.000 0.511 558 K N 0.419 120.716 120.400 -0.171 0.000 2.498 558 K HA 0.565 4.836 4.320 -0.082 0.000 0.254 558 K C -1.345 174.921 176.600 -0.557 0.000 0.933 558 K CA -0.736 55.316 56.287 -0.391 0.000 0.806 558 K CB 1.653 33.785 32.500 -0.613 0.000 1.301 558 K HN 0.621 nan 8.250 nan 0.000 0.432 559 I N 3.911 124.188 120.570 -0.488 0.000 2.474 559 I HA 0.185 4.306 4.170 -0.082 0.000 0.287 559 I C -0.849 174.946 176.117 -0.538 0.000 1.048 559 I CA -0.432 60.643 61.300 -0.375 0.000 1.383 559 I CB 0.509 38.398 38.000 -0.185 0.000 1.412 559 I HN 0.514 nan 8.210 nan 0.000 0.531 560 Y N 4.482 124.719 120.300 -0.105 0.000 2.326 560 Y HA 0.537 5.038 4.550 -0.082 0.000 0.331 560 Y C 0.494 176.537 175.900 0.238 0.000 0.962 560 Y CA -0.829 57.306 58.100 0.058 0.000 1.167 560 Y CB 1.646 40.142 38.460 0.061 0.000 1.148 560 Y HN 0.610 nan 8.280 nan 0.000 0.463 561 A N 4.489 127.481 122.820 0.286 0.000 2.483 561 A HA 0.501 4.772 4.320 -0.082 0.000 0.238 561 A C -0.303 177.465 177.584 0.305 0.000 1.070 561 A CA -0.047 52.127 52.037 0.228 0.000 0.770 561 A CB -0.021 19.051 19.000 0.122 0.000 1.008 561 A HN 0.759 nan 8.150 nan 0.000 0.497 562 I N 3.987 124.646 120.570 0.148 0.000 2.390 562 I HA 0.260 4.381 4.170 -0.082 0.000 0.283 562 I C -1.981 174.049 176.117 -0.144 0.000 1.016 562 I CA -1.863 59.416 61.300 -0.034 0.000 1.151 562 I CB 1.577 39.522 38.000 -0.092 0.000 1.293 562 I HN 0.532 nan 8.210 nan 0.000 0.458 563 P HA 0.057 nan 4.420 nan 0.000 0.267 563 P C 0.740 177.931 177.300 -0.181 0.000 1.200 563 P CA 0.086 63.092 63.100 -0.157 0.000 0.772 563 P CB 0.745 32.351 31.700 -0.158 0.000 0.855 564 Q N 1.811 121.525 119.800 -0.143 0.000 2.133 564 Q HA -0.265 4.026 4.340 -0.082 0.000 0.208 564 Q C 2.244 178.149 176.000 -0.157 0.000 0.991 564 Q CA 3.230 58.942 55.803 -0.151 0.000 0.867 564 Q CB -1.917 26.755 28.738 -0.110 0.000 0.911 564 Q HN 0.745 nan 8.270 nan 0.000 0.417 565 E N 0.024 120.144 120.200 -0.132 0.000 2.012 565 E HA -0.156 4.145 4.350 -0.082 0.000 0.211 565 E C 2.353 178.865 176.600 -0.146 0.000 1.029 565 E CA 2.046 58.375 56.400 -0.119 0.000 0.867 565 E CB -1.354 28.287 29.700 -0.097 0.000 0.790 565 E HN 0.764 nan 8.360 nan 0.000 0.482 566 V N 0.413 120.219 119.914 -0.180 0.000 2.311 566 V HA -0.390 3.681 4.120 -0.082 0.000 0.256 566 V C 2.760 178.716 176.094 -0.231 0.000 1.077 566 V CA 2.994 65.168 62.300 -0.211 0.000 1.067 566 V CB -0.535 31.082 31.823 -0.343 0.000 0.659 566 V HN 0.656 nan 8.190 nan 0.000 0.451 567 M N 0.046 119.474 119.600 -0.288 0.000 2.159 567 M HA -0.122 4.309 4.480 -0.082 0.000 0.263 567 M C 2.049 178.139 176.300 -0.350 0.000 1.063 567 M CA 2.562 57.626 55.300 -0.394 0.000 1.110 567 M CB -0.589 31.743 32.600 -0.447 0.000 1.374 567 M HN 0.636 nan 8.290 nan 0.000 0.411 568 H N -1.489 117.439 119.070 -0.236 0.000 2.544 568 H HA 0.547 5.054 4.556 -0.082 0.000 0.269 568 H C 1.570 176.833 175.328 -0.109 0.000 0.970 568 H CA 0.655 56.601 56.048 -0.170 0.000 1.219 568 H CB -0.862 28.825 29.762 -0.126 0.000 1.421 568 H HN 0.570 nan 8.280 nan 0.000 0.555 569 G N 0.099 108.840 108.800 -0.099 0.000 2.873 569 G HA2 0.339 4.250 3.960 -0.082 0.000 0.170 569 G HA3 0.339 4.250 3.960 -0.082 0.000 0.170 569 G C 0.824 175.728 174.900 0.007 0.000 1.608 569 G CA 0.594 45.668 45.100 -0.043 0.000 1.084 569 G HN 0.879 nan 8.290 nan 0.000 0.563 570 T N -2.987 111.588 114.554 0.035 0.000 2.928 570 T HA 0.487 4.788 4.350 -0.082 0.000 0.284 570 T C 1.647 176.435 174.700 0.146 0.000 1.008 570 T CA 0.415 62.566 62.100 0.085 0.000 1.057 570 T CB 1.382 70.291 68.868 0.069 0.000 1.018 570 T HN 0.710 nan 8.240 nan 0.000 0.493 571 G N 1.221 110.149 108.800 0.215 0.000 2.505 571 G HA2 -0.257 3.654 3.960 -0.082 0.000 0.220 571 G HA3 -0.257 3.654 3.960 -0.082 0.000 0.220 571 G C 1.030 176.135 174.900 0.342 0.000 1.145 571 G CA 1.021 46.327 45.100 0.345 0.000 0.761 571 G HN 0.793 nan 8.290 nan 0.000 0.571 572 D N 0.461 120.973 120.400 0.187 0.000 2.097 572 D HA -0.037 4.554 4.640 -0.082 0.000 0.195 572 D C 2.509 178.903 176.300 0.157 0.000 0.989 572 D CA 1.085 55.174 54.000 0.149 0.000 0.827 572 D CB -0.311 40.539 40.800 0.084 0.000 0.966 572 D HN 0.488 nan 8.370 nan 0.000 0.456 573 E N -0.041 120.226 120.200 0.112 0.000 2.051 573 E HA -0.162 4.139 4.350 -0.082 0.000 0.192 573 E C 2.062 178.708 176.600 0.075 0.000 0.991 573 E CA 0.373 56.816 56.400 0.072 0.000 0.799 573 E CB -0.130 29.584 29.700 0.022 0.000 0.748 573 E HN 0.089 nan 8.360 nan 0.000 0.449 574 L N 0.294 121.559 121.223 0.070 0.000 1.971 574 L HA -0.204 4.087 4.340 -0.082 0.000 0.215 574 L C 2.054 178.904 176.870 -0.032 0.000 1.072 574 L CA 1.813 56.641 54.840 -0.020 0.000 0.758 574 L CB -0.522 41.507 42.059 -0.049 0.000 0.889 574 L HN 0.054 nan 8.230 nan 0.000 0.433 575 F N -0.333 119.658 119.950 0.069 0.000 2.259 575 F HA -0.157 4.321 4.527 -0.082 0.000 0.298 575 F C 2.258 178.070 175.800 0.019 0.000 1.088 575 F CA 1.182 59.205 58.000 0.039 0.000 1.358 575 F CB -0.617 38.405 39.000 0.036 0.000 1.040 575 F HN 0.162 nan 8.300 nan 0.000 0.505 576 D N -0.749 119.774 120.400 0.205 0.000 2.133 576 D HA -0.267 4.324 4.640 -0.082 0.000 0.192 576 D C 2.027 178.383 176.300 0.094 0.000 1.001 576 D CA 1.806 55.879 54.000 0.121 0.000 0.844 576 D CB -0.523 40.340 40.800 0.106 0.000 0.944 576 D HN 0.322 nan 8.370 nan 0.000 0.447 577 H N 0.042 119.104 119.070 -0.014 0.000 2.326 577 H HA 0.022 4.528 4.556 -0.082 0.000 0.301 577 H C 2.190 177.476 175.328 -0.070 0.000 1.081 577 H CA 1.243 57.263 56.048 -0.048 0.000 1.334 577 H CB -0.368 29.348 29.762 -0.076 0.000 1.385 577 H HN 0.097 nan 8.280 nan 0.000 0.504 578 I N -0.569 119.931 120.570 -0.116 0.000 2.151 578 I HA -0.308 3.813 4.170 -0.082 0.000 0.243 578 I C 2.290 178.348 176.117 -0.098 0.000 1.080 578 I CA 1.382 62.586 61.300 -0.159 0.000 1.339 578 I CB -0.326 37.552 38.000 -0.203 0.000 1.039 578 I HN 0.188 nan 8.210 nan 0.000 0.409 579 V N 0.193 120.075 119.914 -0.054 0.000 2.343 579 V HA -0.331 3.740 4.120 -0.082 0.000 0.247 579 V C 2.458 178.500 176.094 -0.088 0.000 1.051 579 V CA 1.994 64.264 62.300 -0.050 0.000 1.036 579 V CB -0.668 31.151 31.823 -0.007 0.000 0.654 579 V HN 0.497 nan 8.190 nan 0.000 0.451 580 Q N -1.152 118.587 119.800 -0.102 0.000 2.197 580 Q HA -0.272 4.019 4.340 -0.082 0.000 0.207 580 Q C 2.291 178.150 176.000 -0.235 0.000 0.984 580 Q CA 2.392 58.120 55.803 -0.126 0.000 0.869 580 Q CB -0.261 28.417 28.738 -0.100 0.000 0.906 580 Q HN 0.734 nan 8.270 nan 0.000 0.426 581 C N -0.474 118.596 119.300 -0.383 0.000 2.476 581 C HA -0.059 4.352 4.460 -0.082 0.000 0.278 581 C C 2.426 177.123 174.990 -0.489 0.000 1.274 581 C CA 0.297 58.888 59.018 -0.711 0.000 1.713 581 C CB -0.831 26.461 27.740 -0.747 0.000 2.039 581 C HN 0.563 nan 8.230 nan 0.000 0.484 582 I N 1.763 122.194 120.570 -0.231 0.000 2.127 582 I HA -0.252 3.869 4.170 -0.082 0.000 0.241 582 I C 2.820 178.943 176.117 0.009 0.000 1.075 582 I CA 1.784 63.041 61.300 -0.072 0.000 1.334 582 I CB -0.778 37.196 38.000 -0.043 0.000 1.040 582 I HN 0.288 nan 8.210 nan 0.000 0.405 583 A N 0.496 123.297 122.820 -0.031 0.000 1.873 583 A HA -0.346 3.924 4.320 -0.082 0.000 0.218 583 A C 2.196 179.798 177.584 0.030 0.000 1.193 583 A CA 2.358 54.396 52.037 0.001 0.000 0.629 583 A CB -0.999 17.993 19.000 -0.014 0.000 0.826 583 A HN 0.553 nan 8.150 nan 0.000 0.447 584 D N -1.620 118.785 120.400 0.008 0.000 2.158 584 D HA -0.201 4.390 4.640 -0.082 0.000 0.197 584 D C 1.721 178.146 176.300 0.208 0.000 0.995 584 D CA 1.648 55.699 54.000 0.085 0.000 0.846 584 D CB -0.151 40.687 40.800 0.064 0.000 0.941 584 D HN 0.403 nan 8.370 nan 0.000 0.456 585 F N 1.163 121.148 119.950 0.058 0.000 2.163 585 F HA -0.005 4.473 4.527 -0.082 0.000 0.297 585 F C 2.279 178.173 175.800 0.156 0.000 1.094 585 F CA 0.705 58.803 58.000 0.165 0.000 1.290 585 F CB -0.427 38.648 39.000 0.125 0.000 1.017 585 F HN -0.104 nan 8.300 nan 0.000 0.483 586 L N 0.125 121.399 121.223 0.084 0.000 2.042 586 L HA -0.232 4.058 4.340 -0.082 0.000 0.210 586 L C 2.321 179.154 176.870 -0.062 0.000 1.076 586 L CA 1.806 56.622 54.840 -0.039 0.000 0.749 586 L CB -0.783 41.287 42.059 0.019 0.000 0.893 586 L HN 0.191 nan 8.230 nan 0.000 0.432 587 E N -0.852 119.351 120.200 0.005 0.000 2.028 587 E HA -0.269 4.032 4.350 -0.082 0.000 0.191 587 E C 2.055 178.653 176.600 -0.003 0.000 0.988 587 E CA 1.434 57.837 56.400 0.006 0.000 0.799 587 E CB -0.346 29.381 29.700 0.045 0.000 0.755 587 E HN 0.377 nan 8.360 nan 0.000 0.447 588 Y N 1.144 121.386 120.300 -0.098 0.000 2.102 588 Y HA -0.277 4.224 4.550 -0.082 0.000 0.280 588 Y C 2.056 177.812 175.900 -0.240 0.000 1.178 588 Y CA 1.626 59.650 58.100 -0.126 0.000 1.146 588 Y CB -0.009 38.411 38.460 -0.066 0.000 0.968 588 Y HN 0.010 nan 8.280 nan 0.000 0.504 589 M N -0.060 119.349 119.600 -0.318 0.000 2.659 589 M HA 0.165 4.596 4.480 -0.082 0.000 0.243 589 M C 1.423 177.543 176.300 -0.300 0.000 1.111 589 M CA 0.981 56.016 55.300 -0.442 0.000 1.070 589 M CB -1.581 30.664 32.600 -0.591 0.000 1.525 589 M HN 0.490 nan 8.290 nan 0.000 0.517 590 G N 1.847 110.521 108.800 -0.210 0.000 2.298 590 G HA2 -0.250 3.661 3.960 -0.082 0.000 0.287 590 G HA3 -0.250 3.661 3.960 -0.082 0.000 0.287 590 G C -0.065 174.760 174.900 -0.125 0.000 1.075 590 G CA 0.339 45.349 45.100 -0.149 0.000 0.960 590 G HN 0.442 nan 8.290 nan 0.000 0.502 596 L N 4.978 126.189 121.223 -0.020 0.000 2.333 596 L HA 0.710 5.001 4.340 -0.082 0.000 0.263 596 L C -2.164 174.701 176.870 -0.008 0.000 1.014 596 L CA -2.610 52.203 54.840 -0.045 0.000 0.820 596 L CB 2.645 44.681 42.059 -0.038 0.000 1.352 596 L HN 0.460 nan 8.230 nan 0.000 0.421 597 P HA 0.161 nan 4.420 nan 0.000 0.271 597 P C -1.227 176.188 177.300 0.192 0.000 1.218 597 P CA -0.177 62.980 63.100 0.095 0.000 0.780 597 P CB 1.292 33.077 31.700 0.142 0.000 0.901 598 L N 2.080 123.400 121.223 0.161 0.000 2.381 598 L HA 0.694 4.985 4.340 -0.082 0.000 0.274 598 L C -0.038 176.920 176.870 0.147 0.000 0.988 598 L CA -0.333 54.592 54.840 0.141 0.000 0.824 598 L CB 1.722 43.819 42.059 0.063 0.000 1.263 598 L HN 0.462 nan 8.230 nan 0.000 0.410 599 G N 3.720 112.607 108.800 0.145 0.000 2.335 599 G HA2 0.387 4.298 3.960 -0.082 0.000 0.314 599 G HA3 0.387 4.298 3.960 -0.082 0.000 0.314 599 G C -1.345 173.691 174.900 0.228 0.000 1.129 599 G CA -0.258 44.928 45.100 0.144 0.000 0.912 599 G HN 0.382 nan 8.290 nan 0.000 0.443 600 F N 3.349 123.346 119.950 0.078 0.000 2.361 600 F HA 0.460 4.938 4.527 -0.082 0.000 0.364 600 F C 0.315 176.198 175.800 0.139 0.000 1.120 600 F CA -1.323 56.745 58.000 0.113 0.000 1.102 600 F CB 1.227 40.286 39.000 0.099 0.000 1.183 600 F HN 0.235 nan 8.300 nan 0.000 0.476 601 T N 7.479 122.306 114.554 0.455 0.000 2.723 601 T HA 0.260 4.561 4.350 -0.082 0.000 0.297 601 T C -0.933 173.898 174.700 0.220 0.000 0.925 601 T CA 0.031 62.266 62.100 0.225 0.000 1.030 601 T CB -0.051 68.905 68.868 0.147 0.000 0.905 601 T HN 0.363 nan 8.240 nan 0.000 0.502 602 F N 3.925 123.752 119.950 -0.204 0.000 2.513 602 F HA 0.364 4.842 4.527 -0.082 0.000 0.358 602 F C 0.362 176.063 175.800 -0.165 0.000 1.118 602 F CA -1.539 56.313 58.000 -0.248 0.000 1.037 602 F CB 1.140 39.793 39.000 -0.578 0.000 1.276 602 F HN 0.465 nan 8.300 nan 0.000 0.446 603 S N 4.956 120.285 115.700 -0.618 0.000 3.812 603 S HA 0.540 4.961 4.470 -0.082 0.000 0.195 603 S C -0.763 173.078 174.600 -1.264 0.000 1.460 603 S CA -0.309 57.446 58.200 -0.742 0.000 1.052 603 S CB -0.949 61.892 63.200 -0.598 0.000 1.385 603 S HN 0.337 nan 8.310 nan 0.000 0.490 604 F N 0.592 120.256 119.950 -0.477 0.000 2.629 604 F HA 0.577 5.055 4.527 -0.082 0.000 0.316 604 F C -2.646 173.052 175.800 -0.168 0.000 1.081 604 F CA -2.702 55.093 58.000 -0.341 0.000 0.954 604 F CB 1.260 39.959 39.000 -0.501 0.000 1.337 604 F HN -0.043 nan 8.300 nan 0.000 0.474 605 P HA 0.153 nan 4.420 nan 0.000 0.270 605 P C -0.938 176.407 177.300 0.075 0.000 1.242 605 P CA 0.139 63.282 63.100 0.073 0.000 0.768 605 P CB 0.474 32.222 31.700 0.080 0.000 0.820 606 C N 3.496 122.845 119.300 0.081 0.000 2.563 606 C HA 0.359 4.770 4.460 -0.082 0.000 0.314 606 C C 0.289 175.322 174.990 0.072 0.000 1.199 606 C CA -0.422 58.646 59.018 0.084 0.000 1.564 606 C CB 1.867 29.682 27.740 0.125 0.000 2.173 606 C HN 0.548 nan 8.230 nan 0.000 0.485 607 Q N 2.464 122.299 119.800 0.058 0.000 2.314 607 Q HA 0.224 4.515 4.340 -0.082 0.000 0.257 607 Q C -0.710 175.323 176.000 0.055 0.000 0.975 607 Q CA 0.121 55.963 55.803 0.065 0.000 0.933 607 Q CB 0.620 29.392 28.738 0.056 0.000 1.195 607 Q HN 0.633 nan 8.270 nan 0.000 0.426 608 Q N 3.518 123.371 119.800 0.088 0.000 2.340 608 Q HA 0.170 4.461 4.340 -0.082 0.000 0.259 608 Q C -0.420 175.640 176.000 0.101 0.000 0.964 608 Q CA -0.135 55.719 55.803 0.085 0.000 0.900 608 Q CB 1.282 30.122 28.738 0.171 0.000 1.228 608 Q HN 0.726 nan 8.270 nan 0.000 0.449 609 N N 0.395 119.066 118.700 -0.048 0.000 2.405 609 N HA -0.045 4.646 4.740 -0.082 0.000 0.175 609 N C 0.154 175.321 175.510 -0.571 0.000 1.051 609 N CA 0.368 53.345 53.050 -0.121 0.000 0.899 609 N CB 0.580 39.018 38.487 -0.081 0.000 1.000 609 N HN 0.558 nan 8.380 nan 0.000 0.451 610 S N -1.346 113.971 115.700 -0.639 0.000 2.688 610 S HA 0.259 4.680 4.470 -0.082 0.000 0.275 610 S C 0.297 174.648 174.600 -0.414 0.000 1.175 610 S CA -0.785 56.867 58.200 -0.914 0.000 0.818 610 S CB 0.857 63.773 63.200 -0.473 0.000 1.157 610 S HN -0.089 nan 8.310 nan 0.000 0.482 611 L N 1.457 122.543 121.223 -0.229 0.000 2.187 611 L HA 0.021 4.312 4.340 -0.082 0.000 0.213 611 L C 1.489 178.342 176.870 -0.027 0.000 1.100 611 L CA 2.506 57.324 54.840 -0.037 0.000 0.765 611 L CB -0.654 41.413 42.059 0.013 0.000 0.904 611 L HN 0.921 nan 8.230 nan 0.000 0.437 612 D N -2.076 118.289 120.400 -0.058 0.000 2.433 612 D HA -0.010 4.581 4.640 -0.082 0.000 0.211 612 D C 0.480 176.755 176.300 -0.042 0.000 1.114 612 D CA -0.108 53.878 54.000 -0.024 0.000 0.837 612 D CB -0.135 40.658 40.800 -0.013 0.000 0.984 612 D HN 0.389 nan 8.370 nan 0.000 0.505 613 E N 1.246 121.400 120.200 -0.077 0.000 2.149 613 E HA 0.320 4.621 4.350 -0.082 0.000 0.255 613 E C -1.154 175.411 176.600 -0.059 0.000 0.888 613 E CA -0.493 55.864 56.400 -0.071 0.000 0.742 613 E CB 0.699 30.346 29.700 -0.089 0.000 1.164 613 E HN 0.097 nan 8.360 nan 0.000 0.422 614 S N 5.061 120.735 115.700 -0.044 0.000 2.596 614 S HA 0.486 4.907 4.470 -0.082 0.000 0.318 614 S C -0.224 174.352 174.600 -0.040 0.000 1.097 614 S CA -0.837 57.347 58.200 -0.026 0.000 1.080 614 S CB 0.621 63.813 63.200 -0.012 0.000 0.991 614 S HN 0.461 nan 8.310 nan 0.000 0.471 615 I N 3.848 124.405 120.570 -0.021 0.000 2.315 615 I HA 0.254 4.375 4.170 -0.082 0.000 0.291 615 I C -0.209 175.895 176.117 -0.021 0.000 1.006 615 I CA -0.961 60.319 61.300 -0.033 0.000 1.265 615 I CB 1.317 39.303 38.000 -0.023 0.000 1.387 615 I HN 0.577 nan 8.210 nan 0.000 0.475 616 L N 7.772 128.960 121.223 -0.058 0.000 2.433 616 L HA 0.148 4.439 4.340 -0.082 0.000 0.275 616 L C 0.605 177.413 176.870 -0.104 0.000 1.128 616 L CA 0.558 55.348 54.840 -0.084 0.000 0.875 616 L CB 0.357 42.272 42.059 -0.241 0.000 1.171 616 L HN 0.609 nan 8.230 nan 0.000 0.463 617 L N 4.550 125.743 121.223 -0.050 0.000 2.007 617 L HA 0.096 4.387 4.340 -0.082 0.000 0.205 617 L C 1.147 177.985 176.870 -0.053 0.000 1.073 617 L CA 1.534 56.357 54.840 -0.028 0.000 0.744 617 L CB -0.795 41.275 42.059 0.018 0.000 0.898 617 L HN 0.659 nan 8.230 nan 0.000 0.435 618 K N -0.730 119.639 120.400 -0.052 0.000 2.527 618 K HA 0.361 4.632 4.320 -0.082 0.000 0.260 618 K C -1.741 174.844 176.600 -0.025 0.000 0.937 618 K CA -0.704 55.559 56.287 -0.040 0.000 0.826 618 K CB 0.077 32.611 32.500 0.056 0.000 1.359 618 K HN 0.084 nan 8.250 nan 0.000 0.434 619 W N 1.795 123.104 121.300 0.015 0.000 2.137 619 W HA 0.385 4.996 4.660 -0.082 0.000 0.344 619 W C 1.259 177.852 176.519 0.123 0.000 1.286 619 W CA 0.760 58.085 57.345 -0.034 0.000 1.240 619 W CB 1.313 30.752 29.460 -0.034 0.000 1.141 619 W HN 0.939 nan 8.180 nan 0.000 0.579 620 T N -1.255 113.654 114.554 0.592 0.000 2.831 620 T HA 0.623 4.924 4.350 -0.082 0.000 0.287 620 T C -0.037 174.930 174.700 0.444 0.000 1.070 620 T CA -0.914 61.447 62.100 0.434 0.000 1.010 620 T CB 2.201 71.264 68.868 0.326 0.000 1.264 620 T HN 0.601 nan 8.240 nan 0.000 0.532 621 K N -0.552 120.058 120.400 0.349 0.000 1.957 621 K HA -0.202 4.069 4.320 -0.082 0.000 0.155 621 K C 1.145 177.913 176.600 0.280 0.000 1.342 621 K CA 1.281 57.749 56.287 0.301 0.000 0.382 621 K CB -1.816 30.821 32.500 0.227 0.000 0.664 621 K HN 0.984 nan 8.250 nan 0.000 0.799 622 G N 0.205 109.182 108.800 0.294 0.000 3.393 622 G HA2 0.337 4.248 3.960 -0.082 0.000 0.255 622 G HA3 0.337 4.248 3.960 -0.082 0.000 0.255 622 G C -0.459 174.474 174.900 0.055 0.000 1.097 622 G CA -0.309 44.880 45.100 0.148 0.000 0.780 622 G HN 0.132 nan 8.290 nan 0.000 0.540 623 F N 1.210 121.053 119.950 -0.179 0.000 2.410 623 F HA 0.563 5.041 4.527 -0.082 0.000 0.348 623 F C 0.732 176.073 175.800 -0.766 0.000 1.106 623 F CA -0.453 57.169 58.000 -0.630 0.000 1.163 623 F CB 1.860 40.216 39.000 -1.074 0.000 1.129 623 F HN -0.008 nan 8.300 nan 0.000 0.516 624 K N 2.242 122.241 120.400 -0.669 0.000 3.306 624 K HA 0.731 5.002 4.320 -0.082 0.000 0.169 624 K C -0.967 175.492 176.600 -0.236 0.000 1.110 624 K CA -0.057 56.030 56.287 -0.332 0.000 0.783 624 K CB 0.374 32.803 32.500 -0.119 0.000 0.958 624 K HN 0.866 nan 8.250 nan 0.000 0.581 625 A N 0.977 123.654 122.820 -0.239 0.000 2.324 625 A HA 0.824 5.095 4.320 -0.082 0.000 0.330 625 A C 0.547 178.344 177.584 0.354 0.000 1.165 625 A CA 0.090 52.171 52.037 0.073 0.000 0.813 625 A CB 0.668 19.708 19.000 0.066 0.000 1.197 625 A HN 1.256 nan 8.150 nan 0.000 0.484 626 S N 0.842 116.669 115.700 0.211 0.000 2.646 626 S HA 0.593 5.014 4.470 -0.082 0.000 0.276 626 S C 0.930 175.637 174.600 0.179 0.000 1.222 626 S CA 0.190 58.502 58.200 0.186 0.000 1.014 626 S CB 1.088 64.353 63.200 0.108 0.000 0.991 626 S HN 2.569 nan 8.310 nan 0.000 0.533 627 G N -0.068 108.810 108.800 0.129 0.000 2.179 627 G HA2 -0.249 3.662 3.960 -0.082 0.000 0.257 627 G HA3 -0.249 3.662 3.960 -0.082 0.000 0.257 627 G C 0.568 175.518 174.900 0.085 0.000 1.010 627 G CA 0.255 45.407 45.100 0.087 0.000 0.736 627 G HN 0.886 nan 8.290 nan 0.000 0.513 628 C N -0.619 118.750 119.300 0.114 0.000 2.478 628 C HA 0.310 4.721 4.460 -0.082 0.000 0.397 628 C C 1.302 176.208 174.990 -0.140 0.000 1.360 628 C CA 0.104 59.148 59.018 0.043 0.000 2.191 628 C CB -0.149 27.726 27.740 0.225 0.000 2.654 628 C HN 0.627 nan 8.230 nan 0.000 0.548 629 E N 0.695 120.788 120.200 -0.179 0.000 2.392 629 E HA 0.372 4.673 4.350 -0.082 0.000 0.264 629 E C 1.126 177.661 176.600 -0.109 0.000 1.024 629 E CA 0.876 57.144 56.400 -0.220 0.000 0.903 629 E CB 0.195 29.794 29.700 -0.168 0.000 0.963 629 E HN 0.586 nan 8.360 nan 0.000 0.432 630 G N 2.150 110.890 108.800 -0.100 0.000 2.212 630 G HA2 -0.251 3.660 3.960 -0.082 0.000 0.266 630 G HA3 -0.251 3.660 3.960 -0.082 0.000 0.266 630 G C 0.144 175.008 174.900 -0.060 0.000 0.978 630 G CA 0.205 45.269 45.100 -0.059 0.000 0.632 630 G HN 0.470 nan 8.290 nan 0.000 0.537 631 E N 0.593 120.744 120.200 -0.083 0.000 2.232 631 E HA 0.482 4.783 4.350 -0.082 0.000 0.265 631 E C -0.677 175.860 176.600 -0.105 0.000 1.001 631 E CA -0.750 55.598 56.400 -0.088 0.000 0.870 631 E CB 1.227 30.868 29.700 -0.098 0.000 1.175 631 E HN 0.231 nan 8.360 nan 0.000 0.407 632 D N 0.906 121.241 120.400 -0.108 0.000 2.313 632 D HA 0.045 4.636 4.640 -0.082 0.000 0.239 632 D C 1.035 177.237 176.300 -0.163 0.000 1.142 632 D CA -0.515 53.419 54.000 -0.110 0.000 0.847 632 D CB 1.087 41.836 40.800 -0.085 0.000 1.082 632 D HN 0.176 nan 8.370 nan 0.000 0.480 633 V N 2.380 122.185 119.914 -0.182 0.000 2.759 633 V HA -0.117 3.954 4.120 -0.082 0.000 0.256 633 V C 1.881 177.871 176.094 -0.173 0.000 1.080 633 V CA 0.871 63.022 62.300 -0.248 0.000 1.101 633 V CB -0.690 30.919 31.823 -0.357 0.000 0.698 633 V HN 0.429 nan 8.190 nan 0.000 0.477 634 V N 1.176 121.033 119.914 -0.093 0.000 2.427 634 V HA -0.192 3.878 4.120 -0.082 0.000 0.248 634 V C 2.747 178.776 176.094 -0.108 0.000 1.051 634 V CA 2.564 64.840 62.300 -0.039 0.000 1.048 634 V CB -1.085 30.728 31.823 -0.017 0.000 0.666 634 V HN 0.643 nan 8.190 nan 0.000 0.456 635 T N 0.791 115.263 114.554 -0.137 0.000 2.674 635 T HA -0.120 4.181 4.350 -0.082 0.000 0.265 635 T C 1.920 176.492 174.700 -0.214 0.000 1.039 635 T CA 1.584 63.601 62.100 -0.139 0.000 1.150 635 T CB -0.339 68.459 68.868 -0.117 0.000 0.864 635 T HN 0.298 nan 8.240 nan 0.000 0.427 636 L N 0.409 121.425 121.223 -0.345 0.000 2.043 636 L HA -0.113 4.178 4.340 -0.082 0.000 0.212 636 L C 2.496 179.018 176.870 -0.580 0.000 1.075 636 L CA 0.905 55.402 54.840 -0.571 0.000 0.752 636 L CB -0.665 40.783 42.059 -1.019 0.000 0.891 636 L HN 0.210 nan 8.230 nan 0.000 0.432 637 L N -0.114 120.843 121.223 -0.444 0.000 2.027 637 L HA -0.167 4.124 4.340 -0.082 0.000 0.206 637 L C 2.517 179.301 176.870 -0.144 0.000 1.074 637 L CA 1.786 56.550 54.840 -0.126 0.000 0.745 637 L CB -0.450 41.627 42.059 0.031 0.000 0.898 637 L HN 0.057 nan 8.230 nan 0.000 0.433 638 K N -0.431 119.855 120.400 -0.191 0.000 2.002 638 K HA -0.190 4.081 4.320 -0.082 0.000 0.209 638 K C 1.972 178.335 176.600 -0.395 0.000 1.048 638 K CA 1.879 57.984 56.287 -0.304 0.000 0.930 638 K CB -0.228 32.125 32.500 -0.246 0.000 0.714 638 K HN 0.397 nan 8.250 nan 0.000 0.438 639 E N 0.321 120.404 120.200 -0.196 0.000 2.086 639 E HA -0.265 4.036 4.350 -0.082 0.000 0.200 639 E C 1.979 178.551 176.600 -0.046 0.000 1.012 639 E CA 1.509 57.876 56.400 -0.055 0.000 0.812 639 E CB -0.192 29.481 29.700 -0.045 0.000 0.743 639 E HN 0.376 nan 8.360 nan 0.000 0.453 640 A N 0.562 123.342 122.820 -0.067 0.000 2.015 640 A HA -0.118 4.153 4.320 -0.082 0.000 0.219 640 A C 2.085 179.663 177.584 -0.011 0.000 1.163 640 A CA 0.879 52.916 52.037 0.001 0.000 0.646 640 A CB -0.414 18.629 19.000 0.072 0.000 0.806 640 A HN 0.159 nan 8.150 nan 0.000 0.448 641 I N -1.484 119.034 120.570 -0.086 0.000 2.333 641 I HA -0.190 3.931 4.170 -0.082 0.000 0.246 641 I C 2.299 178.395 176.117 -0.034 0.000 1.106 641 I CA 1.184 62.432 61.300 -0.087 0.000 1.411 641 I CB -0.631 37.279 38.000 -0.152 0.000 1.082 641 I HN 0.432 nan 8.210 nan 0.000 0.420 642 H N 0.882 119.950 119.070 -0.003 0.000 2.289 642 H HA -0.142 4.365 4.556 -0.082 0.000 0.296 642 H C 2.318 177.646 175.328 -0.000 0.000 1.091 642 H CA 1.227 57.272 56.048 -0.005 0.000 1.274 642 H CB -0.088 29.669 29.762 -0.010 0.000 1.364 642 H HN 0.168 nan 8.280 nan 0.000 0.490 643 R N 0.795 121.370 120.500 0.125 0.000 2.244 643 R HA -0.128 4.163 4.340 -0.082 0.000 0.252 643 R C 1.319 177.652 176.300 0.055 0.000 1.177 643 R CA 0.756 56.900 56.100 0.074 0.000 1.004 643 R CB -0.116 30.217 30.300 0.055 0.000 0.873 643 R HN 0.252 nan 8.270 nan 0.000 0.469 649 L N -0.301 120.914 121.223 -0.014 0.000 2.502 649 L HA 0.559 4.850 4.340 -0.082 0.000 0.253 649 L C -1.326 175.540 176.870 -0.007 0.000 1.070 649 L CA -0.663 54.170 54.840 -0.010 0.000 0.871 649 L CB 1.651 43.701 42.059 -0.014 0.000 1.487 649 L HN 0.787 nan 8.230 nan 0.000 0.408 650 D N 0.414 120.818 120.400 0.006 0.000 2.590 650 D HA 0.288 4.879 4.640 -0.082 0.000 0.280 650 D C -0.290 176.032 176.300 0.037 0.000 1.197 650 D CA -0.172 53.840 54.000 0.019 0.000 0.967 650 D CB 0.482 41.294 40.800 0.021 0.000 0.987 650 D HN 0.243 nan 8.370 nan 0.000 0.508 651 V N 3.553 123.481 119.914 0.023 0.000 2.382 651 V HA -0.025 4.046 4.120 -0.082 0.000 0.250 651 V C 1.723 177.851 176.094 0.058 0.000 1.069 651 V CA -0.001 62.325 62.300 0.043 0.000 1.130 651 V CB 0.269 32.110 31.823 0.029 0.000 1.165 651 V HN 0.317 nan 8.190 nan 0.000 0.483 652 V N 3.138 123.100 119.914 0.080 0.000 2.446 652 V HA 0.263 4.334 4.120 -0.082 0.000 0.244 652 V C 1.065 177.199 176.094 0.067 0.000 1.039 652 V CA 1.385 63.729 62.300 0.073 0.000 1.045 652 V CB -0.224 31.657 31.823 0.097 0.000 0.681 652 V HN 0.842 nan 8.190 nan 0.000 0.459 653 A N -0.648 122.227 122.820 0.091 0.000 2.515 653 A HA 0.744 5.015 4.320 -0.082 0.000 0.298 653 A C -1.353 176.307 177.584 0.128 0.000 1.059 653 A CA -0.358 51.730 52.037 0.084 0.000 0.698 653 A CB 2.140 21.177 19.000 0.062 0.000 1.289 653 A HN -0.033 nan 8.150 nan 0.000 0.404 654 V N 2.106 122.078 119.914 0.097 0.000 2.487 654 V HA 0.690 4.761 4.120 -0.082 0.000 0.298 654 V C -0.246 175.883 176.094 0.058 0.000 1.028 654 V CA -0.311 62.042 62.300 0.088 0.000 0.860 654 V CB 1.469 33.308 31.823 0.027 0.000 0.991 654 V HN 1.410 nan 8.190 nan 0.000 0.427 655 V N 2.325 122.273 119.914 0.056 0.000 3.007 655 V HA 0.648 4.719 4.120 -0.082 0.000 0.311 655 V C -0.294 175.812 176.094 0.020 0.000 1.120 655 V CA -0.863 61.459 62.300 0.037 0.000 0.980 655 V CB 2.059 33.900 31.823 0.030 0.000 1.033 655 V HN 0.823 nan 8.190 nan 0.000 0.429 656 N N 1.658 120.354 118.700 -0.007 0.000 2.467 656 N HA 0.054 4.745 4.740 -0.082 0.000 0.262 656 N C 0.525 175.995 175.510 -0.068 0.000 1.234 656 N CA 0.332 53.349 53.050 -0.055 0.000 0.952 656 N CB 1.573 40.020 38.487 -0.067 0.000 1.158 656 N HN 0.982 nan 8.380 nan 0.000 0.463 657 D N 0.430 120.762 120.400 -0.113 0.000 2.178 657 D HA -0.198 4.393 4.640 -0.082 0.000 0.201 657 D C 1.719 177.965 176.300 -0.091 0.000 0.980 657 D CA 1.957 55.900 54.000 -0.096 0.000 0.842 657 D CB -0.991 39.734 40.800 -0.126 0.000 0.948 657 D HN 0.713 nan 8.370 nan 0.000 0.472 658 T N -0.973 113.515 114.554 -0.111 0.000 2.708 658 T HA -0.142 4.159 4.350 -0.082 0.000 0.266 658 T C 2.215 176.869 174.700 -0.077 0.000 1.037 658 T CA 1.494 63.526 62.100 -0.114 0.000 1.146 658 T CB -0.962 67.816 68.868 -0.150 0.000 0.865 658 T HN 0.089 nan 8.240 nan 0.000 0.435 659 V N 1.976 121.854 119.914 -0.061 0.000 2.358 659 V HA 0.036 4.107 4.120 -0.082 0.000 0.246 659 V C 3.113 179.188 176.094 -0.031 0.000 1.047 659 V CA 1.779 64.055 62.300 -0.040 0.000 1.035 659 V CB -1.509 30.296 31.823 -0.029 0.000 0.658 659 V HN 0.696 nan 8.190 nan 0.000 0.452 660 G N -0.611 108.172 108.800 -0.029 0.000 2.433 660 G HA2 -0.254 3.657 3.960 -0.082 0.000 0.216 660 G HA3 -0.254 3.657 3.960 -0.082 0.000 0.216 660 G C 1.727 176.611 174.900 -0.027 0.000 1.186 660 G CA 1.546 46.633 45.100 -0.022 0.000 0.779 660 G HN 0.429 nan 8.290 nan 0.000 0.543 661 T N 0.831 115.364 114.554 -0.035 0.000 2.720 661 T HA -0.169 4.132 4.350 -0.082 0.000 0.268 661 T C 2.260 176.946 174.700 -0.023 0.000 1.037 661 T CA 1.496 63.576 62.100 -0.033 0.000 1.144 661 T CB -0.235 68.602 68.868 -0.052 0.000 0.864 661 T HN 0.277 nan 8.240 nan 0.000 0.444 662 M N 0.111 119.694 119.600 -0.029 0.000 2.144 662 M HA -0.136 4.295 4.480 -0.082 0.000 0.260 662 M C 1.808 178.109 176.300 0.002 0.000 1.067 662 M CA 1.632 56.923 55.300 -0.016 0.000 1.095 662 M CB -0.136 32.451 32.600 -0.021 0.000 1.365 662 M HN 0.161 nan 8.290 nan 0.000 0.406 663 M N -0.749 118.850 119.600 -0.002 0.000 2.236 663 M HA -0.059 4.372 4.480 -0.082 0.000 0.266 663 M C 2.081 178.399 176.300 0.031 0.000 1.070 663 M CA 1.488 56.794 55.300 0.010 0.000 1.137 663 M CB -1.670 30.921 32.600 -0.015 0.000 1.378 663 M HN 0.246 nan 8.290 nan 0.000 0.426 664 T N 0.438 114.998 114.554 0.009 0.000 2.720 664 T HA -0.172 4.129 4.350 -0.082 0.000 0.268 664 T C 2.065 176.823 174.700 0.097 0.000 1.037 664 T CA 1.617 63.730 62.100 0.022 0.000 1.144 664 T CB -0.431 68.438 68.868 0.002 0.000 0.864 664 T HN 0.396 nan 8.240 nan 0.000 0.444 665 C N 1.036 120.378 119.300 0.069 0.000 2.492 665 C HA 0.218 4.629 4.460 -0.082 0.000 0.279 665 C C 3.070 178.108 174.990 0.080 0.000 1.335 665 C CA 0.085 59.146 59.018 0.072 0.000 1.734 665 C CB -1.335 26.427 27.740 0.036 0.000 2.027 665 C HN 0.704 nan 8.230 nan 0.000 0.496 666 G N -0.573 108.271 108.800 0.072 0.000 2.625 666 G HA2 -0.182 3.729 3.960 -0.082 0.000 0.214 666 G HA3 -0.182 3.729 3.960 -0.082 0.000 0.214 666 G C 1.262 176.216 174.900 0.089 0.000 1.132 666 G CA 0.267 45.400 45.100 0.056 0.000 0.782 666 G HN 0.518 nan 8.290 nan 0.000 0.538 667 F N 1.928 121.865 119.950 -0.021 0.000 2.293 667 F HA 0.129 4.607 4.527 -0.082 0.000 0.297 667 F C 2.478 178.270 175.800 -0.013 0.000 1.089 667 F CA 1.702 59.691 58.000 -0.020 0.000 1.377 667 F CB -0.203 38.786 39.000 -0.018 0.000 1.051 667 F HN 0.264 nan 8.300 nan 0.000 0.511 668 E N -0.369 119.810 120.200 -0.035 0.000 2.358 668 E HA -0.002 4.299 4.350 -0.082 0.000 0.195 668 E C 0.130 176.669 176.600 -0.101 0.000 1.010 668 E CA 1.082 57.413 56.400 -0.116 0.000 0.856 668 E CB -0.366 29.343 29.700 0.015 0.000 0.795 668 E HN 0.387 nan 8.360 nan 0.000 0.504 669 D N -1.607 118.756 120.400 -0.062 0.000 2.365 669 D HA 0.210 4.801 4.640 -0.082 0.000 0.235 669 D C -2.334 173.933 176.300 -0.055 0.000 1.368 669 D CA -2.021 51.959 54.000 -0.034 0.000 1.001 669 D CB 1.754 42.565 40.800 0.018 0.000 1.364 669 D HN -0.212 nan 8.370 nan 0.000 0.577 670 P HA -0.219 nan 4.420 nan 0.000 0.222 670 P C 0.910 178.065 177.300 -0.241 0.000 1.154 670 P CA 1.374 64.338 63.100 -0.226 0.000 0.874 670 P CB 0.080 31.548 31.700 -0.387 0.000 0.787 671 H N -2.991 116.058 119.070 -0.034 0.000 2.548 671 H HA 0.087 4.594 4.556 -0.082 0.000 0.265 671 H C 0.541 175.845 175.328 -0.041 0.000 0.969 671 H CA -0.042 55.983 56.048 -0.037 0.000 1.155 671 H CB -0.524 29.212 29.762 -0.044 0.000 1.394 671 H HN 0.153 nan 8.280 nan 0.000 0.570 672 C N 3.124 122.454 119.300 0.050 0.000 2.610 672 C HA 0.057 4.468 4.460 -0.082 0.000 0.382 672 C C 1.411 176.406 174.990 0.010 0.000 1.287 672 C CA -0.074 58.954 59.018 0.017 0.000 1.640 672 C CB -0.807 26.939 27.740 0.011 0.000 2.335 672 C HN 0.446 nan 8.230 nan 0.000 0.577 673 E N 3.110 123.315 120.200 0.010 0.000 2.562 673 E HA 0.182 4.483 4.350 -0.082 0.000 0.214 673 E C -0.328 176.294 176.600 0.037 0.000 0.979 673 E CA 0.204 56.617 56.400 0.022 0.000 1.002 673 E CB 0.917 30.640 29.700 0.038 0.000 1.048 673 E HN 0.543 nan 8.360 nan 0.000 0.488 674 V N 0.247 120.167 119.914 0.011 0.000 2.841 674 V HA 0.596 4.667 4.120 -0.082 0.000 0.310 674 V C 0.027 176.108 176.094 -0.022 0.000 1.090 674 V CA -1.014 61.296 62.300 0.017 0.000 0.930 674 V CB 2.096 33.913 31.823 -0.010 0.000 1.014 674 V HN 0.138 nan 8.190 nan 0.000 0.425 675 G N 2.321 111.099 108.800 -0.037 0.000 2.416 675 G HA2 0.716 4.627 3.960 -0.082 0.000 0.329 675 G HA3 0.716 4.627 3.960 -0.082 0.000 0.329 675 G C -1.740 173.081 174.900 -0.131 0.000 1.173 675 G CA -0.504 44.551 45.100 -0.075 0.000 0.929 675 G HN 0.622 nan 8.290 nan 0.000 0.475 676 L N 2.364 123.508 121.223 -0.133 0.000 2.436 676 L HA 0.684 4.975 4.340 -0.082 0.000 0.268 676 L C -1.278 175.488 176.870 -0.174 0.000 0.974 676 L CA -0.819 53.915 54.840 -0.177 0.000 0.826 676 L CB 1.925 43.951 42.059 -0.054 0.000 1.291 676 L HN 0.343 nan 8.230 nan 0.000 0.406 677 I N 5.736 126.196 120.570 -0.183 0.000 2.465 677 I HA 0.484 4.605 4.170 -0.082 0.000 0.291 677 I C -0.813 175.266 176.117 -0.064 0.000 1.014 677 I CA -0.635 60.586 61.300 -0.132 0.000 1.093 677 I CB 2.031 39.951 38.000 -0.133 0.000 1.267 677 I HN 0.329 nan 8.210 nan 0.000 0.431 678 V N 5.855 125.728 119.914 -0.068 0.000 2.454 678 V HA 0.637 4.708 4.120 -0.082 0.000 0.267 678 V C 0.435 176.470 176.094 -0.098 0.000 0.993 678 V CA -0.194 62.067 62.300 -0.066 0.000 0.836 678 V CB 0.923 32.666 31.823 -0.132 0.000 1.055 678 V HN 1.026 nan 8.190 nan 0.000 0.452 679 G N 1.923 110.685 108.800 -0.063 0.000 3.324 679 G HA2 0.230 4.141 3.960 -0.082 0.000 0.188 679 G HA3 0.230 4.141 3.960 -0.082 0.000 0.188 679 G C 0.905 175.781 174.900 -0.040 0.000 1.384 679 G CA 0.807 45.873 45.100 -0.056 0.000 0.841 679 G HN 0.288 nan 8.290 nan 0.000 0.758 680 T N 0.675 115.209 114.554 -0.033 0.000 2.708 680 T HA 0.203 4.504 4.350 -0.082 0.000 0.266 680 T C 1.209 175.919 174.700 0.016 0.000 1.037 680 T CA 1.517 63.601 62.100 -0.027 0.000 1.146 680 T CB -0.423 68.432 68.868 -0.022 0.000 0.865 680 T HN 0.648 nan 8.240 nan 0.000 0.435 681 G N -0.296 108.520 108.800 0.026 0.000 2.932 681 G HA2 0.590 4.501 3.960 -0.082 0.000 0.283 681 G HA3 0.590 4.501 3.960 -0.082 0.000 0.283 681 G C -1.268 173.681 174.900 0.081 0.000 1.336 681 G CA -0.459 44.701 45.100 0.100 0.000 1.056 681 G HN 0.250 nan 8.290 nan 0.000 0.522 682 S N -0.878 114.911 115.700 0.148 0.000 2.549 682 S HA 0.729 5.150 4.470 -0.082 0.000 0.280 682 S C -1.014 173.684 174.600 0.164 0.000 1.109 682 S CA -0.703 57.608 58.200 0.184 0.000 0.905 682 S CB 1.934 65.334 63.200 0.333 0.000 1.081 682 S HN 0.946 nan 8.310 nan 0.000 0.477 683 N N 0.647 119.229 118.700 -0.197 0.000 3.545 683 N HA 0.654 5.345 4.740 -0.082 0.000 0.227 683 N C -2.051 172.880 175.510 -0.966 0.000 1.380 683 N CA 0.109 52.759 53.050 -0.668 0.000 0.892 683 N CB 1.416 39.746 38.487 -0.262 0.000 1.441 683 N HN 0.972 nan 8.380 nan 0.000 0.497 684 A N 0.166 122.383 122.820 -1.005 0.000 2.520 684 A HA 0.696 4.967 4.320 -0.082 0.000 0.298 684 A C -0.615 176.794 177.584 -0.292 0.000 1.051 684 A CA -0.471 51.143 52.037 -0.705 0.000 0.690 684 A CB 0.029 18.398 19.000 -1.052 0.000 1.281 684 A HN 1.243 nan 8.150 nan 0.000 0.402 685 C N 0.251 119.470 119.300 -0.134 0.000 2.562 685 C HA 1.062 5.473 4.460 -0.082 0.000 0.332 685 C C -0.615 174.471 174.990 0.160 0.000 1.201 685 C CA -0.984 58.047 59.018 0.022 0.000 1.803 685 C CB 0.199 27.918 27.740 -0.035 0.000 2.328 685 C HN 1.514 nan 8.230 nan 0.000 0.500 686 Y N -0.647 119.610 120.300 -0.072 0.000 2.656 686 Y HA 0.698 5.199 4.550 -0.082 0.000 0.334 686 Y C -0.721 175.152 175.900 -0.044 0.000 1.179 686 Y CA -1.575 56.493 58.100 -0.054 0.000 1.050 686 Y CB 0.986 39.421 38.460 -0.041 0.000 1.308 686 Y HN 0.529 nan 8.280 nan 0.000 0.456 687 M N 3.039 122.580 119.600 -0.098 0.000 2.341 687 M HA 0.224 4.655 4.480 -0.082 0.000 0.336 687 M C -0.386 175.761 176.300 -0.254 0.000 1.489 687 M CA 0.150 55.345 55.300 -0.175 0.000 1.278 687 M CB -0.241 32.324 32.600 -0.058 0.000 1.657 687 M HN 0.774 nan 8.290 nan 0.000 0.455 688 E N 2.620 122.571 120.200 -0.416 0.000 2.312 688 E HA 0.286 4.587 4.350 -0.082 0.000 0.259 688 E C -0.530 175.976 176.600 -0.157 0.000 1.122 688 E CA -0.240 55.967 56.400 -0.321 0.000 0.922 688 E CB 0.908 30.362 29.700 -0.410 0.000 1.109 688 E HN 0.341 nan 8.360 nan 0.000 0.442 689 E N 2.724 122.868 120.200 -0.093 0.000 2.283 689 E HA 0.075 4.376 4.350 -0.082 0.000 0.278 689 E C 0.837 177.391 176.600 -0.077 0.000 1.027 689 E CA -0.329 56.032 56.400 -0.064 0.000 0.843 689 E CB 0.788 30.470 29.700 -0.030 0.000 1.062 689 E HN 0.606 nan 8.360 nan 0.000 0.401 690 M N 2.025 121.581 119.600 -0.073 0.000 2.279 690 M HA -0.150 4.281 4.480 -0.082 0.000 0.264 690 M C 1.788 178.052 176.300 -0.061 0.000 1.062 690 M CA 1.379 56.632 55.300 -0.079 0.000 1.099 690 M CB -0.690 31.867 32.600 -0.072 0.000 1.394 690 M HN 0.443 nan 8.290 nan 0.000 0.426 691 R N 0.032 120.506 120.500 -0.043 0.000 2.105 691 R HA -0.120 4.171 4.340 -0.082 0.000 0.239 691 R C 1.507 177.789 176.300 -0.030 0.000 1.135 691 R CA 1.573 57.655 56.100 -0.031 0.000 0.967 691 R CB -0.733 29.555 30.300 -0.020 0.000 0.861 691 R HN 0.376 nan 8.270 nan 0.000 0.442 692 N N 0.975 119.655 118.700 -0.033 0.000 2.333 692 N HA 0.000 4.691 4.740 -0.082 0.000 0.178 692 N C 0.327 175.813 175.510 -0.041 0.000 1.018 692 N CA 0.658 53.693 53.050 -0.025 0.000 0.882 692 N CB 0.122 38.601 38.487 -0.014 0.000 0.984 692 N HN -0.004 nan 8.380 nan 0.000 0.434 693 V N 3.075 122.947 119.914 -0.070 0.000 2.266 693 V HA 0.003 4.074 4.120 -0.082 0.000 0.240 693 V C 1.250 177.294 176.094 -0.084 0.000 1.225 693 V CA 0.279 62.523 62.300 -0.093 0.000 1.237 693 V CB -0.788 30.951 31.823 -0.140 0.000 1.343 693 V HN 0.187 nan 8.190 nan 0.000 0.496 694 E N 2.549 122.712 120.200 -0.062 0.000 2.204 694 E HA -0.093 4.208 4.350 -0.082 0.000 0.194 694 E C 1.775 178.332 176.600 -0.072 0.000 0.989 694 E CA 0.694 57.062 56.400 -0.053 0.000 0.824 694 E CB 0.073 29.754 29.700 -0.031 0.000 0.756 694 E HN 0.653 nan 8.360 nan 0.000 0.477 695 L N 0.851 122.010 121.223 -0.107 0.000 2.549 695 L HA -0.003 4.288 4.340 -0.082 0.000 0.229 695 L C 0.310 177.123 176.870 -0.096 0.000 1.158 695 L CA 0.389 55.152 54.840 -0.129 0.000 0.842 695 L CB 0.121 42.048 42.059 -0.221 0.000 0.952 695 L HN -0.074 nan 8.230 nan 0.000 0.452 696 V N 0.197 120.049 119.914 -0.103 0.000 2.443 696 V HA 0.280 4.350 4.120 -0.082 0.000 0.293 696 V C 0.390 176.445 176.094 -0.065 0.000 1.021 696 V CA -0.736 61.507 62.300 -0.094 0.000 0.848 696 V CB 1.508 33.207 31.823 -0.207 0.000 0.998 696 V HN 0.269 nan 8.190 nan 0.000 0.424 697 E N 2.737 122.920 120.200 -0.029 0.000 2.415 697 E HA 0.511 4.811 4.350 -0.082 0.000 0.263 697 E C 0.583 177.170 176.600 -0.023 0.000 0.995 697 E CA 0.396 56.785 56.400 -0.020 0.000 0.915 697 E CB 0.721 30.419 29.700 -0.003 0.000 0.951 697 E HN 2.049 nan 8.360 nan 0.000 0.449 698 G N 1.437 110.222 108.800 -0.025 0.000 2.957 698 G HA2 0.139 4.050 3.960 -0.082 0.000 0.636 698 G HA3 0.139 4.050 3.960 -0.082 0.000 0.636 698 G C -0.146 174.734 174.900 -0.034 0.000 1.401 698 G CA -0.105 44.979 45.100 -0.027 0.000 0.941 698 G HN 0.507 nan 8.290 nan 0.000 0.610 699 E N 0.173 120.357 120.200 -0.026 0.000 2.603 699 E HA 0.439 4.740 4.350 -0.082 0.000 0.211 699 E C 0.845 177.430 176.600 -0.025 0.000 0.995 699 E CA 0.718 57.102 56.400 -0.027 0.000 0.990 699 E CB 0.961 30.649 29.700 -0.019 0.000 1.036 699 E HN 0.917 nan 8.360 nan 0.000 0.475 700 E N 0.358 120.542 120.200 -0.026 0.000 2.288 700 E HA 0.633 4.934 4.350 -0.082 0.000 0.268 700 E C 0.275 176.857 176.600 -0.029 0.000 0.885 700 E CA -0.437 55.950 56.400 -0.023 0.000 0.767 700 E CB 1.310 31.000 29.700 -0.016 0.000 1.220 700 E HN 0.172 nan 8.360 nan 0.000 0.427 701 G N 1.006 109.790 108.800 -0.028 0.000 2.681 701 G HA2 -0.060 3.851 3.960 -0.082 0.000 0.220 701 G HA3 -0.060 3.851 3.960 -0.082 0.000 0.220 701 G C -0.210 174.662 174.900 -0.046 0.000 1.353 701 G CA -0.099 44.981 45.100 -0.032 0.000 0.872 701 G HN 0.845 nan 8.290 nan 0.000 0.557 702 R N -1.123 119.344 120.500 -0.054 0.000 2.837 702 R HA 0.779 5.069 4.340 -0.082 0.000 0.271 702 R C -0.288 175.955 176.300 -0.095 0.000 0.993 702 R CA -0.927 55.129 56.100 -0.074 0.000 0.931 702 R CB 2.101 32.364 30.300 -0.062 0.000 1.206 702 R HN 0.718 nan 8.270 nan 0.000 0.474 703 M N 1.050 120.571 119.600 -0.132 0.000 2.433 703 M HA 0.261 4.692 4.480 -0.082 0.000 0.290 703 M C -1.113 175.074 176.300 -0.188 0.000 1.173 703 M CA -0.658 54.547 55.300 -0.158 0.000 0.905 703 M CB 2.196 34.670 32.600 -0.209 0.000 1.692 703 M HN 0.775 nan 8.290 nan 0.000 0.462 704 C N 3.856 123.062 119.300 -0.156 0.000 2.637 704 C HA 0.567 4.978 4.460 -0.082 0.000 0.418 704 C C -0.340 174.537 174.990 -0.188 0.000 1.319 704 C CA -0.109 58.809 59.018 -0.167 0.000 1.949 704 C CB -0.043 27.639 27.740 -0.097 0.000 2.639 704 C HN 0.611 nan 8.230 nan 0.000 0.594 705 V N 6.885 126.649 119.914 -0.250 0.000 2.409 705 V HA 0.307 4.378 4.120 -0.082 0.000 0.291 705 V C -0.106 175.935 176.094 -0.088 0.000 1.020 705 V CA -0.375 61.803 62.300 -0.202 0.000 0.848 705 V CB 1.660 33.287 31.823 -0.326 0.000 0.990 705 V HN 0.903 nan 8.190 nan 0.000 0.430 706 N N 5.258 123.935 118.700 -0.037 0.000 2.415 706 N HA 0.271 4.962 4.740 -0.082 0.000 0.246 706 N C 0.815 176.342 175.510 0.029 0.000 1.078 706 N CA -0.009 53.034 53.050 -0.012 0.000 0.942 706 N CB 1.000 39.480 38.487 -0.012 0.000 1.140 706 N HN 0.652 nan 8.380 nan 0.000 0.501 707 M N 1.137 120.766 119.600 0.049 0.000 2.229 707 M HA -0.007 4.424 4.480 -0.082 0.000 0.264 707 M C -0.066 176.305 176.300 0.117 0.000 1.063 707 M CA 0.752 56.120 55.300 0.112 0.000 1.114 707 M CB -0.144 32.551 32.600 0.159 0.000 1.387 707 M HN 0.434 nan 8.290 nan 0.000 0.420 708 E N 0.457 120.701 120.200 0.074 0.000 2.240 708 E HA -0.220 4.081 4.350 -0.082 0.000 0.194 708 E C -0.010 176.751 176.600 0.267 0.000 1.385 708 E CA 0.707 57.180 56.400 0.121 0.000 0.686 708 E CB -1.394 28.368 29.700 0.103 0.000 1.125 708 E HN 0.793 nan 8.360 nan 0.000 0.359 709 W N -0.236 121.141 121.300 0.128 0.000 3.047 709 W HA 0.321 4.932 4.660 -0.082 0.000 0.250 709 W C 1.456 178.174 176.519 0.331 0.000 1.314 709 W CA 0.451 57.900 57.345 0.173 0.000 1.540 709 W CB -1.035 28.519 29.460 0.155 0.000 1.127 709 W HN 0.171 nan 8.180 nan 0.000 0.679 710 G N 1.468 110.702 108.800 0.724 0.000 2.450 710 G HA2 -0.156 3.755 3.960 -0.082 0.000 0.220 710 G HA3 -0.156 3.755 3.960 -0.082 0.000 0.220 710 G C 1.664 176.790 174.900 0.377 0.000 1.130 710 G CA 1.609 47.027 45.100 0.531 0.000 0.760 710 G HN 0.443 nan 8.290 nan 0.000 0.557 711 A N -0.188 122.816 122.820 0.307 0.000 2.238 711 A HA 0.412 4.683 4.320 -0.082 0.000 0.208 711 A C 0.752 178.466 177.584 0.216 0.000 1.177 711 A CA -0.618 51.542 52.037 0.206 0.000 0.804 711 A CB -0.352 18.740 19.000 0.154 0.000 0.823 711 A HN 0.252 nan 8.150 nan 0.000 0.482 712 F N 1.276 121.258 119.950 0.055 0.000 2.623 712 F HA 0.334 4.812 4.527 -0.082 0.000 0.383 712 F C 1.377 177.130 175.800 -0.080 0.000 1.077 712 F CA 0.993 58.914 58.000 -0.132 0.000 1.268 712 F CB -0.141 38.537 39.000 -0.537 0.000 1.053 712 F HN 0.415 nan 8.300 nan 0.000 0.571 713 G N 4.226 112.846 108.800 -0.300 0.000 2.176 713 G HA2 -0.304 3.607 3.960 -0.082 0.000 0.253 713 G HA3 -0.304 3.607 3.960 -0.082 0.000 0.253 713 G C 0.802 175.631 174.900 -0.118 0.000 0.979 713 G CA 0.335 45.241 45.100 -0.324 0.000 0.641 713 G HN 0.606 nan 8.290 nan 0.000 0.530 714 D N 0.863 121.243 120.400 -0.033 0.000 2.312 714 D HA -0.018 4.573 4.640 -0.082 0.000 0.211 714 D C 2.236 178.524 176.300 -0.020 0.000 0.964 714 D CA 1.166 55.160 54.000 -0.011 0.000 0.877 714 D CB -0.169 40.645 40.800 0.024 0.000 0.924 714 D HN 0.671 nan 8.370 nan 0.000 0.515 715 N N -0.130 118.555 118.700 -0.025 0.000 2.467 715 N HA 0.005 4.696 4.740 -0.082 0.000 0.184 715 N C 1.416 176.897 175.510 -0.048 0.000 1.106 715 N CA 1.026 54.060 53.050 -0.027 0.000 0.892 715 N CB 0.311 38.791 38.487 -0.012 0.000 0.969 715 N HN 0.174 nan 8.380 nan 0.000 0.454 716 G N 0.089 108.844 108.800 -0.075 0.000 2.201 716 G HA2 -0.320 3.591 3.960 -0.082 0.000 0.212 716 G HA3 -0.320 3.591 3.960 -0.082 0.000 0.212 716 G C 0.938 175.759 174.900 -0.133 0.000 0.994 716 G CA 0.100 45.144 45.100 -0.093 0.000 0.644 716 G HN 0.768 nan 8.290 nan 0.000 0.508 717 C N 0.260 119.471 119.300 -0.149 0.000 2.525 717 C HA 0.668 5.079 4.460 -0.082 0.000 0.279 717 C C 1.708 176.535 174.990 -0.271 0.000 1.437 717 C CA 0.712 59.627 59.018 -0.172 0.000 1.704 717 C CB -1.386 26.291 27.740 -0.106 0.000 1.672 717 C HN 0.436 nan 8.230 nan 0.000 0.582 718 L N -0.319 120.733 121.223 -0.286 0.000 3.410 718 L HA 0.247 4.538 4.340 -0.082 0.000 0.309 718 L C 0.984 177.732 176.870 -0.204 0.000 1.254 718 L CA 0.014 54.696 54.840 -0.263 0.000 1.048 718 L CB -0.093 41.802 42.059 -0.273 0.000 1.442 718 L HN 0.055 nan 8.230 nan 0.000 0.615 719 D N 1.068 121.349 120.400 -0.200 0.000 2.264 719 D HA -0.160 4.431 4.640 -0.082 0.000 0.208 719 D C 1.601 177.807 176.300 -0.157 0.000 0.966 719 D CA 1.241 55.154 54.000 -0.144 0.000 0.864 719 D CB 0.176 40.902 40.800 -0.123 0.000 0.933 719 D HN 0.456 nan 8.370 nan 0.000 0.499 720 D N -0.519 119.713 120.400 -0.280 0.000 2.317 720 D HA -0.140 4.451 4.640 -0.082 0.000 0.211 720 D C 1.252 177.430 176.300 -0.204 0.000 0.966 720 D CA 0.358 54.181 54.000 -0.295 0.000 0.876 720 D CB -0.546 39.989 40.800 -0.441 0.000 0.927 720 D HN 0.203 nan 8.370 nan 0.000 0.519 721 F N 0.734 120.662 119.950 -0.036 0.000 2.749 721 F HA 0.312 4.790 4.527 -0.082 0.000 0.300 721 F C 1.040 176.834 175.800 -0.011 0.000 1.103 721 F CA -0.663 57.326 58.000 -0.019 0.000 1.342 721 F CB -0.115 38.864 39.000 -0.034 0.000 1.098 721 F HN -0.292 nan 8.300 nan 0.000 0.586 722 R N 0.277 120.844 120.500 0.111 0.000 2.404 722 R HA 0.441 4.732 4.340 -0.082 0.000 0.291 722 R C 0.564 176.875 176.300 0.018 0.000 1.025 722 R CA -0.128 56.005 56.100 0.055 0.000 0.991 722 R CB 1.103 31.404 30.300 0.001 0.000 1.053 722 R HN 0.100 nan 8.270 nan 0.000 0.479 723 T N -2.431 112.127 114.554 0.007 0.000 2.937 723 T HA 0.119 4.420 4.350 -0.082 0.000 0.283 723 T C 1.144 175.720 174.700 -0.207 0.000 1.012 723 T CA -0.899 61.147 62.100 -0.090 0.000 0.997 723 T CB 1.311 70.183 68.868 0.007 0.000 1.136 723 T HN 0.713 nan 8.240 nan 0.000 0.551 724 E N -0.064 119.860 120.200 -0.460 0.000 2.333 724 E HA -0.088 4.213 4.350 -0.082 0.000 0.198 724 E C 0.962 177.307 176.600 -0.424 0.000 1.007 724 E CA 1.020 57.131 56.400 -0.481 0.000 0.845 724 E CB -0.589 28.751 29.700 -0.599 0.000 0.766 724 E HN 0.641 nan 8.360 nan 0.000 0.507 725 F N 1.895 121.816 119.950 -0.048 0.000 2.387 725 F HA 0.067 4.545 4.527 -0.082 0.000 0.294 725 F C 1.904 177.689 175.800 -0.026 0.000 1.093 725 F CA 0.478 58.453 58.000 -0.042 0.000 1.420 725 F CB -0.213 38.750 39.000 -0.063 0.000 1.086 725 F HN -0.075 nan 8.300 nan 0.000 0.531 726 D N 0.488 120.960 120.400 0.120 0.000 2.117 726 D HA -0.100 4.491 4.640 -0.082 0.000 0.198 726 D C 2.513 178.824 176.300 0.017 0.000 0.982 726 D CA 1.276 55.312 54.000 0.061 0.000 0.828 726 D CB -0.320 40.503 40.800 0.038 0.000 0.967 726 D HN 0.125 nan 8.370 nan 0.000 0.464 727 V N 1.946 121.849 119.914 -0.017 0.000 2.332 727 V HA -0.245 3.826 4.120 -0.082 0.000 0.248 727 V C 2.650 178.743 176.094 -0.003 0.000 1.055 727 V CA 1.866 64.149 62.300 -0.028 0.000 1.038 727 V CB -0.853 30.934 31.823 -0.061 0.000 0.651 727 V HN 0.158 nan 8.190 nan 0.000 0.450 728 A N -0.204 122.624 122.820 0.013 0.000 1.898 728 A HA -0.138 4.133 4.320 -0.082 0.000 0.216 728 A C 2.400 180.023 177.584 0.065 0.000 1.181 728 A CA 1.947 54.009 52.037 0.042 0.000 0.620 728 A CB -0.693 18.349 19.000 0.070 0.000 0.819 728 A HN 0.328 nan 8.150 nan 0.000 0.442 729 V N 0.586 120.549 119.914 0.082 0.000 2.407 729 V HA -0.249 3.822 4.120 -0.082 0.000 0.248 729 V C 2.376 178.516 176.094 0.076 0.000 1.055 729 V CA 2.494 64.855 62.300 0.102 0.000 1.049 729 V CB -0.724 31.170 31.823 0.119 0.000 0.662 729 V HN 0.689 nan 8.190 nan 0.000 0.455 730 D N 0.173 120.591 120.400 0.029 0.000 2.077 730 D HA -0.166 4.424 4.640 -0.082 0.000 0.196 730 D C 2.183 178.500 176.300 0.029 0.000 0.986 730 D CA 1.516 55.519 54.000 0.005 0.000 0.829 730 D CB -0.143 40.646 40.800 -0.018 0.000 0.983 730 D HN 0.499 nan 8.370 nan 0.000 0.453 731 E N -0.643 119.572 120.200 0.025 0.000 2.204 731 E HA -0.091 4.210 4.350 -0.082 0.000 0.195 731 E C 1.698 178.322 176.600 0.040 0.000 0.990 731 E CA 0.451 56.867 56.400 0.026 0.000 0.821 731 E CB 0.038 29.747 29.700 0.016 0.000 0.750 731 E HN 0.380 nan 8.360 nan 0.000 0.477 732 L N 0.781 122.036 121.223 0.054 0.000 2.628 732 L HA 0.100 4.391 4.340 -0.082 0.000 0.229 732 L C 0.959 177.877 176.870 0.078 0.000 1.137 732 L CA -0.461 54.415 54.840 0.061 0.000 0.909 732 L CB 0.132 42.229 42.059 0.064 0.000 1.137 732 L HN 0.003 nan 8.230 nan 0.000 0.470 733 S N -1.045 114.711 115.700 0.093 0.000 2.681 733 S HA 0.292 4.713 4.470 -0.082 0.000 0.270 733 S C 1.154 175.817 174.600 0.104 0.000 1.209 733 S CA -0.690 57.586 58.200 0.128 0.000 0.988 733 S CB 1.229 64.532 63.200 0.172 0.000 1.006 733 S HN 0.111 nan 8.310 nan 0.000 0.558 734 L N 0.570 121.865 121.223 0.121 0.000 2.131 734 L HA -0.046 4.245 4.340 -0.082 0.000 0.210 734 L C 0.620 177.555 176.870 0.109 0.000 1.092 734 L CA 1.047 55.949 54.840 0.103 0.000 0.759 734 L CB -0.685 41.439 42.059 0.109 0.000 0.903 734 L HN 0.811 nan 8.230 nan 0.000 0.435 735 N N -1.279 117.495 118.700 0.124 0.000 2.886 735 N HA 0.253 4.944 4.740 -0.082 0.000 0.285 735 N C -2.856 172.700 175.510 0.077 0.000 1.706 735 N CA -2.079 51.037 53.050 0.110 0.000 0.904 735 N CB 0.200 38.772 38.487 0.141 0.000 1.224 735 N HN -0.100 nan 8.380 nan 0.000 0.488 736 P HA 0.206 nan 4.420 nan 0.000 0.267 736 P C 1.064 178.382 177.300 0.029 0.000 1.205 736 P CA 0.852 63.975 63.100 0.039 0.000 0.765 736 P CB 0.627 32.350 31.700 0.037 0.000 0.828 737 G N 1.233 110.041 108.800 0.014 0.000 2.157 737 G HA2 -0.238 3.673 3.960 -0.082 0.000 0.248 737 G HA3 -0.238 3.673 3.960 -0.082 0.000 0.248 737 G C 0.038 174.946 174.900 0.013 0.000 0.979 737 G CA 0.053 45.157 45.100 0.007 0.000 0.650 737 G HN 0.544 nan 8.290 nan 0.000 0.529 738 K N -0.210 120.203 120.400 0.021 0.000 2.375 738 K HA 0.700 4.971 4.320 -0.082 0.000 0.249 738 K C 0.479 177.094 176.600 0.026 0.000 0.942 738 K CA -0.644 55.666 56.287 0.039 0.000 0.806 738 K CB 1.227 33.766 32.500 0.065 0.000 1.227 738 K HN 0.105 nan 8.250 nan 0.000 0.430 739 Q N 1.323 121.155 119.800 0.054 0.000 2.470 739 Q HA -0.253 4.038 4.340 -0.082 0.000 0.290 739 Q C 0.190 176.189 176.000 -0.002 0.000 1.353 739 Q CA 0.554 56.393 55.803 0.061 0.000 0.787 739 Q CB -1.376 27.398 28.738 0.059 0.000 1.158 739 Q HN 0.676 nan 8.270 nan 0.000 0.426 740 R N -0.855 119.664 120.500 0.031 0.000 2.093 740 R HA -0.007 4.284 4.340 -0.082 0.000 0.224 740 R C 1.896 178.235 176.300 0.065 0.000 1.101 740 R CA 1.074 57.172 56.100 -0.003 0.000 0.979 740 R CB -0.136 30.156 30.300 -0.013 0.000 0.877 740 R HN 0.235 nan 8.270 nan 0.000 0.441 741 F N 2.354 122.274 119.950 -0.049 0.000 2.075 741 F HA -0.212 4.266 4.527 -0.082 0.000 0.297 741 F C 2.396 178.192 175.800 -0.007 0.000 1.113 741 F CA 1.919 59.895 58.000 -0.040 0.000 1.218 741 F CB -0.483 38.536 39.000 0.032 0.000 0.984 741 F HN 0.043 nan 8.300 nan 0.000 0.472 742 E N 0.173 120.435 120.200 0.104 0.000 2.153 742 E HA -0.251 4.050 4.350 -0.082 0.000 0.194 742 E C 1.971 178.536 176.600 -0.057 0.000 0.988 742 E CA 1.357 57.783 56.400 0.043 0.000 0.811 742 E CB -0.314 29.494 29.700 0.181 0.000 0.746 742 E HN 0.401 nan 8.360 nan 0.000 0.466 743 K N -0.354 119.916 120.400 -0.216 0.000 2.439 743 K HA 0.016 4.287 4.320 -0.082 0.000 0.197 743 K C 1.610 178.139 176.600 -0.118 0.000 1.041 743 K CA 0.914 56.953 56.287 -0.413 0.000 0.970 743 K CB 0.097 32.279 32.500 -0.530 0.000 0.773 743 K HN 0.308 nan 8.250 nan 0.000 0.479 744 M N -0.440 119.102 119.600 -0.097 0.000 2.428 744 M HA 0.143 4.574 4.480 -0.082 0.000 0.239 744 M C 1.228 177.478 176.300 -0.083 0.000 1.121 744 M CA 0.581 55.838 55.300 -0.072 0.000 1.019 744 M CB 0.562 33.111 32.600 -0.085 0.000 1.485 744 M HN 0.086 nan 8.290 nan 0.000 0.484 745 I N -1.603 118.927 120.570 -0.067 0.000 4.228 745 I HA 0.065 4.186 4.170 -0.082 0.000 0.298 745 I C 0.967 177.130 176.117 0.078 0.000 1.206 745 I CA 0.066 61.355 61.300 -0.018 0.000 1.322 745 I CB 0.705 38.621 38.000 -0.140 0.000 1.411 745 I HN 0.099 nan 8.210 nan 0.000 0.454 746 S N 0.431 116.200 115.700 0.115 0.000 2.687 746 S HA 0.409 4.830 4.470 -0.082 0.000 0.283 746 S C 1.154 175.806 174.600 0.085 0.000 1.170 746 S CA 0.037 58.301 58.200 0.108 0.000 1.008 746 S CB 1.560 64.868 63.200 0.181 0.000 1.026 746 S HN 0.276 nan 8.310 nan 0.000 0.541 747 G N 0.524 109.326 108.800 0.003 0.000 2.450 747 G HA2 -0.212 3.699 3.960 -0.082 0.000 0.220 747 G HA3 -0.212 3.699 3.960 -0.082 0.000 0.220 747 G C 1.199 176.066 174.900 -0.056 0.000 1.130 747 G CA 0.888 45.972 45.100 -0.027 0.000 0.760 747 G HN 0.749 nan 8.290 nan 0.000 0.557 748 M N -1.068 118.448 119.600 -0.140 0.000 2.279 748 M HA 0.014 4.445 4.480 -0.082 0.000 0.264 748 M C 1.660 177.683 176.300 -0.462 0.000 1.062 748 M CA 1.348 56.417 55.300 -0.385 0.000 1.099 748 M CB 0.100 32.291 32.600 -0.681 0.000 1.394 748 M HN 0.382 nan 8.290 nan 0.000 0.426 749 Y N -1.539 118.782 120.300 0.035 0.000 2.535 749 Y HA 0.188 4.689 4.550 -0.082 0.000 0.264 749 Y C 1.703 177.620 175.900 0.028 0.000 1.087 749 Y CA -0.064 58.058 58.100 0.037 0.000 1.285 749 Y CB -0.162 38.319 38.460 0.036 0.000 1.200 749 Y HN 0.020 nan 8.280 nan 0.000 0.514 750 L N -0.334 120.976 121.223 0.145 0.000 2.012 750 L HA -0.194 4.097 4.340 -0.082 0.000 0.210 750 L C 2.625 179.519 176.870 0.040 0.000 1.073 750 L CA 1.730 56.614 54.840 0.073 0.000 0.748 750 L CB -1.171 40.913 42.059 0.042 0.000 0.891 750 L HN 0.396 nan 8.230 nan 0.000 0.431 751 G N -0.376 108.466 108.800 0.070 0.000 2.507 751 G HA2 -0.266 3.645 3.960 -0.082 0.000 0.221 751 G HA3 -0.266 3.645 3.960 -0.082 0.000 0.221 751 G C 1.471 176.433 174.900 0.103 0.000 1.119 751 G CA 0.748 45.919 45.100 0.118 0.000 0.751 751 G HN 0.350 nan 8.290 nan 0.000 0.574 752 E N 0.124 120.387 120.200 0.105 0.000 2.170 752 E HA 0.056 4.357 4.350 -0.082 0.000 0.191 752 E C 2.642 179.276 176.600 0.056 0.000 0.981 752 E CA 0.069 56.533 56.400 0.107 0.000 0.830 752 E CB -0.060 29.725 29.700 0.141 0.000 0.775 752 E HN 0.539 nan 8.360 nan 0.000 0.470 753 I N 0.689 121.280 120.570 0.035 0.000 2.113 753 I HA -0.264 3.857 4.170 -0.082 0.000 0.238 753 I C 2.438 178.455 176.117 -0.168 0.000 1.070 753 I CA 0.884 62.174 61.300 -0.016 0.000 1.332 753 I CB -0.566 37.430 38.000 -0.007 0.000 1.044 753 I HN -0.083 nan 8.210 nan 0.000 0.402 754 V N 0.966 120.753 119.914 -0.211 0.000 2.231 754 V HA -0.371 3.700 4.120 -0.082 0.000 0.250 754 V C 2.682 178.557 176.094 -0.364 0.000 1.058 754 V CA 2.443 64.522 62.300 -0.368 0.000 1.022 754 V CB -0.849 30.679 31.823 -0.492 0.000 0.640 754 V HN 0.429 nan 8.190 nan 0.000 0.445 755 R N 0.063 120.442 120.500 -0.201 0.000 2.083 755 R HA -0.177 4.114 4.340 -0.082 0.000 0.237 755 R C 2.245 178.525 176.300 -0.034 0.000 1.137 755 R CA 1.973 58.075 56.100 0.004 0.000 0.951 755 R CB -0.381 30.060 30.300 0.234 0.000 0.851 755 R HN 0.596 nan 8.270 nan 0.000 0.434 756 N N 0.372 119.045 118.700 -0.045 0.000 2.223 756 N HA -0.162 4.529 4.740 -0.082 0.000 0.185 756 N C 1.841 177.238 175.510 -0.189 0.000 1.016 756 N CA 1.392 54.439 53.050 -0.005 0.000 0.863 756 N CB -0.028 38.536 38.487 0.130 0.000 0.983 756 N HN 0.334 nan 8.380 nan 0.000 0.429 757 I N 1.247 121.475 120.570 -0.570 0.000 2.162 757 I HA -0.214 3.907 4.170 -0.082 0.000 0.238 757 I C 2.274 177.922 176.117 -0.780 0.000 1.076 757 I CA 0.688 61.352 61.300 -1.061 0.000 1.353 757 I CB -0.235 37.039 38.000 -1.209 0.000 1.063 757 I HN 0.047 nan 8.210 nan 0.000 0.408 758 L N 0.546 121.457 121.223 -0.520 0.000 2.043 758 L HA -0.280 4.011 4.340 -0.082 0.000 0.212 758 L C 2.577 179.426 176.870 -0.035 0.000 1.075 758 L CA 1.728 56.413 54.840 -0.258 0.000 0.752 758 L CB -0.671 41.364 42.059 -0.040 0.000 0.891 758 L HN 0.286 nan 8.230 nan 0.000 0.432 759 I N 0.019 120.594 120.570 0.009 0.000 2.179 759 I HA -0.332 3.789 4.170 -0.082 0.000 0.242 759 I C 2.289 178.464 176.117 0.097 0.000 1.088 759 I CA 1.722 63.078 61.300 0.094 0.000 1.357 759 I CB -0.349 37.705 38.000 0.090 0.000 1.051 759 I HN 0.315 nan 8.210 nan 0.000 0.409 760 D N 0.692 121.129 120.400 0.061 0.000 2.104 760 D HA -0.233 4.358 4.640 -0.082 0.000 0.194 760 D C 2.107 178.555 176.300 0.247 0.000 0.994 760 D CA 1.651 55.747 54.000 0.160 0.000 0.830 760 D CB -0.006 40.960 40.800 0.276 0.000 0.959 760 D HN 0.105 nan 8.370 nan 0.000 0.452 761 F N 0.911 120.873 119.950 0.020 0.000 2.069 761 F HA -0.148 4.330 4.527 -0.081 0.000 0.298 761 F C 2.906 178.710 175.800 0.008 0.000 1.113 761 F CA 1.725 59.719 58.000 -0.010 0.000 1.214 761 F CB -1.734 37.217 39.000 -0.081 0.000 0.978 761 F HN 0.158 nan 8.300 nan 0.000 0.474 762 T N -0.028 114.671 114.554 0.242 0.000 2.684 762 T HA -0.255 4.046 4.350 -0.082 0.000 0.267 762 T C 1.775 176.567 174.700 0.153 0.000 1.036 762 T CA 1.804 64.016 62.100 0.187 0.000 1.148 762 T CB -0.742 68.286 68.868 0.267 0.000 0.863 762 T HN 0.458 nan 8.240 nan 0.000 0.436 763 K N 1.154 121.643 120.400 0.149 0.000 2.504 763 K HA -0.005 4.266 4.320 -0.082 0.000 0.195 763 K C 1.787 178.449 176.600 0.104 0.000 1.036 763 K CA 0.460 56.816 56.287 0.116 0.000 0.984 763 K CB -0.131 32.431 32.500 0.103 0.000 0.788 763 K HN 0.401 nan 8.250 nan 0.000 0.488 764 R N 0.537 121.108 120.500 0.118 0.000 2.388 764 R HA 0.125 4.416 4.340 -0.082 0.000 0.247 764 R C 0.568 176.903 176.300 0.058 0.000 0.931 764 R CA 0.420 56.572 56.100 0.087 0.000 1.082 764 R CB 0.352 30.709 30.300 0.097 0.000 1.135 764 R HN 0.437 nan 8.270 nan 0.000 0.525 765 G N 1.702 110.541 108.800 0.066 0.000 2.168 765 G HA2 -0.273 3.638 3.960 -0.082 0.000 0.257 765 G HA3 -0.273 3.638 3.960 -0.082 0.000 0.257 765 G C 0.571 175.479 174.900 0.014 0.000 0.997 765 G CA 0.181 45.310 45.100 0.048 0.000 0.708 765 G HN 0.371 nan 8.290 nan 0.000 0.520 766 L N -1.281 119.935 121.223 -0.012 0.000 2.628 766 L HA 0.666 4.957 4.340 -0.082 0.000 0.229 766 L C 0.487 177.292 176.870 -0.109 0.000 1.137 766 L CA -0.050 54.726 54.840 -0.107 0.000 0.909 766 L CB 0.358 42.250 42.059 -0.279 0.000 1.137 766 L HN 0.298 nan 8.230 nan 0.000 0.470 767 L N -1.897 119.298 121.223 -0.047 0.000 2.724 767 L HA 0.379 4.670 4.340 -0.082 0.000 0.258 767 L C -0.784 176.068 176.870 -0.031 0.000 0.967 767 L CA -0.333 54.416 54.840 -0.152 0.000 0.891 767 L CB 1.106 43.008 42.059 -0.263 0.000 1.456 767 L HN 0.075 nan 8.230 nan 0.000 0.416 768 F N 2.866 122.858 119.950 0.069 0.000 3.091 768 F HA -0.286 4.192 4.527 -0.081 0.000 0.288 768 F C 1.155 176.982 175.800 0.045 0.000 0.907 768 F CA 0.862 58.897 58.000 0.058 0.000 1.028 768 F CB -0.801 38.239 39.000 0.066 0.000 1.022 768 F HN 0.730 nan 8.300 nan 0.000 0.665 769 R N -1.393 119.215 120.500 0.181 0.000 3.804 769 R HA -0.279 4.012 4.340 -0.082 0.000 0.286 769 R C 1.350 177.717 176.300 0.113 0.000 1.192 769 R CA 0.966 57.135 56.100 0.116 0.000 0.801 769 R CB -2.165 28.194 30.300 0.097 0.000 1.180 769 R HN 1.248 nan 8.270 nan 0.000 0.509 770 G N -2.315 106.568 108.800 0.138 0.000 2.148 770 G HA2 -0.370 3.541 3.960 -0.082 0.000 0.254 770 G HA3 -0.370 3.541 3.960 -0.082 0.000 0.254 770 G C 0.111 175.080 174.900 0.116 0.000 0.981 770 G CA 0.616 45.788 45.100 0.119 0.000 0.670 770 G HN 0.838 nan 8.290 nan 0.000 0.528 771 R N -0.001 120.576 120.500 0.128 0.000 2.387 771 R HA 0.801 5.091 4.340 -0.082 0.000 0.314 771 R C 0.107 176.465 176.300 0.097 0.000 0.958 771 R CA -0.380 55.774 56.100 0.090 0.000 0.846 771 R CB 0.574 30.907 30.300 0.056 0.000 1.147 771 R HN 0.673 nan 8.270 nan 0.000 0.447 772 I N 3.238 123.855 120.570 0.078 0.000 2.260 772 I HA 0.114 4.235 4.170 -0.082 0.000 0.297 772 I C 0.174 176.299 176.117 0.013 0.000 1.143 772 I CA -0.431 60.911 61.300 0.070 0.000 1.271 772 I CB 0.731 38.779 38.000 0.079 0.000 1.461 772 I HN 0.706 nan 8.210 nan 0.000 0.530 773 S N 3.801 119.477 115.700 -0.041 0.000 2.715 773 S HA -0.133 4.288 4.470 -0.082 0.000 0.318 773 S C 1.190 175.763 174.600 -0.045 0.000 1.242 773 S CA -0.158 57.996 58.200 -0.078 0.000 1.044 773 S CB 0.549 63.648 63.200 -0.170 0.000 0.760 773 S HN 0.622 nan 8.310 nan 0.000 0.501 774 E N 1.508 121.687 120.200 -0.036 0.000 2.472 774 E HA -0.087 4.214 4.350 -0.082 0.000 0.200 774 E C 1.821 178.403 176.600 -0.030 0.000 1.046 774 E CA 0.677 57.063 56.400 -0.022 0.000 0.871 774 E CB 0.096 29.785 29.700 -0.019 0.000 0.806 774 E HN 0.541 nan 8.360 nan 0.000 0.533 775 R N -0.405 120.064 120.500 -0.051 0.000 2.312 775 R HA 0.062 4.353 4.340 -0.082 0.000 0.205 775 R C 1.449 177.710 176.300 -0.065 0.000 0.904 775 R CA 0.071 56.132 56.100 -0.065 0.000 1.052 775 R CB 0.169 30.416 30.300 -0.088 0.000 1.014 775 R HN 0.230 nan 8.270 nan 0.000 0.503 776 L N 0.906 122.104 121.223 -0.042 0.000 2.375 776 L HA 0.073 4.364 4.340 -0.082 0.000 0.215 776 L C 1.377 178.275 176.870 0.046 0.000 1.108 776 L CA 1.441 56.292 54.840 0.018 0.000 0.830 776 L CB 0.101 42.189 42.059 0.049 0.000 0.959 776 L HN -0.115 nan 8.230 nan 0.000 0.457 777 K N -0.832 119.582 120.400 0.024 0.000 2.574 777 K HA 0.022 4.293 4.320 -0.082 0.000 0.193 777 K C 0.053 176.666 176.600 0.022 0.000 1.035 777 K CA 0.280 56.585 56.287 0.031 0.000 0.982 777 K CB -0.291 32.221 32.500 0.021 0.000 0.795 777 K HN 0.227 nan 8.250 nan 0.000 0.491 778 T N 1.718 116.276 114.554 0.007 0.000 2.744 778 T HA 0.209 4.510 4.350 -0.082 0.000 0.291 778 T C -0.085 174.615 174.700 0.001 0.000 0.957 778 T CA -0.520 61.576 62.100 -0.008 0.000 1.002 778 T CB 0.800 69.646 68.868 -0.037 0.000 0.919 778 T HN 0.110 nan 8.240 nan 0.000 0.468 779 R N 1.721 122.226 120.500 0.009 0.000 2.640 779 R HA 0.309 4.600 4.340 -0.082 0.000 0.270 779 R C 1.506 177.805 176.300 -0.001 0.000 1.024 779 R CA 0.928 57.039 56.100 0.019 0.000 1.085 779 R CB 0.065 30.375 30.300 0.017 0.000 0.963 779 R HN 1.009 nan 8.270 nan 0.000 0.426 780 G N 2.494 111.306 108.800 0.019 0.000 2.162 780 G HA2 -0.305 3.606 3.960 -0.082 0.000 0.260 780 G HA3 -0.305 3.606 3.960 -0.082 0.000 0.260 780 G C 0.740 175.620 174.900 -0.033 0.000 0.976 780 G CA 0.616 45.716 45.100 -0.001 0.000 0.655 780 G HN 0.793 nan 8.290 nan 0.000 0.533 781 I N -3.571 116.948 120.570 -0.086 0.000 2.361 781 I HA 0.217 4.338 4.170 -0.082 0.000 0.251 781 I C 1.231 177.170 176.117 -0.298 0.000 1.133 781 I CA 0.774 61.933 61.300 -0.234 0.000 1.413 781 I CB -0.200 37.578 38.000 -0.371 0.000 1.073 781 I HN 0.020 nan 8.210 nan 0.000 0.424 782 F N 3.507 123.457 119.950 0.001 0.000 2.541 782 F HA 0.366 4.844 4.527 -0.082 0.000 0.351 782 F C 0.593 176.392 175.800 -0.002 0.000 1.209 782 F CA -0.542 57.461 58.000 0.006 0.000 1.277 782 F CB -0.435 38.572 39.000 0.012 0.000 1.632 782 F HN 0.118 nan 8.300 nan 0.000 0.619 783 E N -0.030 120.234 120.200 0.106 0.000 2.314 783 E HA 0.146 4.447 4.350 -0.082 0.000 0.262 783 E C 1.118 177.759 176.600 0.068 0.000 1.093 783 E CA -0.309 56.124 56.400 0.055 0.000 0.908 783 E CB 0.890 30.594 29.700 0.006 0.000 1.091 783 E HN 0.304 nan 8.360 nan 0.000 0.425 784 T N 1.266 115.843 114.554 0.039 0.000 2.721 784 T HA -0.269 4.032 4.350 -0.082 0.000 0.268 784 T C 2.079 176.806 174.700 0.045 0.000 1.038 784 T CA 2.230 64.355 62.100 0.041 0.000 1.145 784 T CB -0.302 68.571 68.868 0.008 0.000 0.858 784 T HN 0.583 nan 8.240 nan 0.000 0.459 785 K N 0.550 120.963 120.400 0.021 0.000 2.057 785 K HA 0.168 4.439 4.320 -0.082 0.000 0.206 785 K C 1.963 178.568 176.600 0.009 0.000 1.050 785 K CA 1.719 58.008 56.287 0.002 0.000 0.935 785 K CB -1.657 30.833 32.500 -0.016 0.000 0.715 785 K HN 0.615 nan 8.250 nan 0.000 0.439 786 F N 0.472 120.442 119.950 0.034 0.000 2.773 786 F HA 0.531 5.009 4.527 -0.082 0.000 0.304 786 F C 1.822 177.700 175.800 0.130 0.000 1.129 786 F CA 0.381 58.417 58.000 0.059 0.000 1.378 786 F CB -0.545 38.485 39.000 0.050 0.000 1.095 786 F HN 0.133 nan 8.300 nan 0.000 0.565 787 L N -1.554 119.742 121.223 0.122 0.000 2.500 787 L HA -0.010 4.281 4.340 -0.082 0.000 0.219 787 L C 2.394 179.320 176.870 0.093 0.000 1.057 787 L CA 0.938 55.861 54.840 0.138 0.000 0.854 787 L CB -0.177 41.978 42.059 0.160 0.000 1.078 787 L HN 0.261 nan 8.230 nan 0.000 0.480 788 S N -0.598 115.132 115.700 0.050 0.000 2.470 788 S HA -0.089 4.332 4.470 -0.082 0.000 0.225 788 S C 1.738 176.237 174.600 -0.167 0.000 1.006 788 S CA 0.715 58.851 58.200 -0.106 0.000 0.934 788 S CB 0.197 63.371 63.200 -0.044 0.000 0.778 788 S HN 0.338 nan 8.310 nan 0.000 0.517 789 Q N 0.836 120.590 119.800 -0.076 0.000 2.061 789 Q HA 0.165 4.456 4.340 -0.082 0.000 0.195 789 Q C 1.969 177.937 176.000 -0.054 0.000 0.967 789 Q CA 0.867 56.628 55.803 -0.071 0.000 0.829 789 Q CB -0.169 28.542 28.738 -0.044 0.000 0.900 789 Q HN 0.430 nan 8.270 nan 0.000 0.450 790 I N 0.874 121.439 120.570 -0.007 0.000 2.381 790 I HA -0.273 3.848 4.170 -0.082 0.000 0.255 790 I C 1.815 177.934 176.117 0.005 0.000 1.140 790 I CA 1.254 62.568 61.300 0.022 0.000 1.404 790 I CB -0.053 37.989 38.000 0.071 0.000 1.075 790 I HN 0.290 nan 8.210 nan 0.000 0.433 791 E N 0.175 120.352 120.200 -0.037 0.000 2.499 791 E HA 0.069 4.370 4.350 -0.082 0.000 0.199 791 E C 0.320 176.878 176.600 -0.071 0.000 1.016 791 E CA -0.176 56.212 56.400 -0.019 0.000 0.933 791 E CB 0.494 30.192 29.700 -0.003 0.000 1.050 791 E HN 0.137 nan 8.360 nan 0.000 0.462 792 S N 1.199 116.833 115.700 -0.110 0.000 2.528 792 S HA 0.006 4.427 4.470 -0.082 0.000 0.277 792 S C 0.370 174.952 174.600 -0.030 0.000 1.297 792 S CA -0.435 57.684 58.200 -0.134 0.000 1.052 792 S CB 0.672 63.797 63.200 -0.124 0.000 0.917 792 S HN 0.332 nan 8.310 nan 0.000 0.492 793 D N 1.967 122.374 120.400 0.012 0.000 2.340 793 D HA 0.024 4.615 4.640 -0.082 0.000 0.217 793 D C 1.543 177.855 176.300 0.020 0.000 1.081 793 D CA -0.098 53.936 54.000 0.056 0.000 0.842 793 D CB -0.814 40.060 40.800 0.123 0.000 0.934 793 D HN 0.466 nan 8.370 nan 0.000 0.511 794 C N -0.487 118.811 119.300 -0.004 0.000 2.626 794 C HA 0.378 4.789 4.460 -0.082 0.000 0.266 794 C C 0.622 175.606 174.990 -0.009 0.000 1.317 794 C CA -0.842 58.171 59.018 -0.009 0.000 1.716 794 C CB -1.470 26.259 27.740 -0.019 0.000 1.819 794 C HN 0.217 nan 8.230 nan 0.000 0.578 795 L N 1.922 123.140 121.223 -0.008 0.000 2.334 795 L HA 0.634 4.925 4.340 -0.082 0.000 0.277 795 L C 0.773 177.644 176.870 0.002 0.000 1.075 795 L CA -0.090 54.747 54.840 -0.005 0.000 0.804 795 L CB 1.151 43.206 42.059 -0.007 0.000 1.174 795 L HN 0.321 nan 8.230 nan 0.000 0.438 796 A N 1.807 124.629 122.820 0.003 0.000 2.242 796 A HA 0.366 4.637 4.320 -0.082 0.000 0.304 796 A C 0.555 178.145 177.584 0.010 0.000 1.100 796 A CA -0.442 51.598 52.037 0.006 0.000 0.860 796 A CB 0.702 19.704 19.000 0.004 0.000 1.168 796 A HN 0.715 nan 8.150 nan 0.000 0.503 797 L N -0.029 121.202 121.223 0.013 0.000 2.131 797 L HA 0.055 4.346 4.340 -0.082 0.000 0.206 797 L C 2.050 178.934 176.870 0.023 0.000 1.087 797 L CA 1.440 56.292 54.840 0.019 0.000 0.767 797 L CB -0.594 41.476 42.059 0.018 0.000 0.917 797 L HN 0.748 nan 8.230 nan 0.000 0.441 798 L N -0.927 120.307 121.223 0.019 0.000 2.131 798 L HA -0.247 4.044 4.340 -0.082 0.000 0.210 798 L C 2.588 179.472 176.870 0.024 0.000 1.092 798 L CA 1.246 56.098 54.840 0.020 0.000 0.759 798 L CB -0.305 41.761 42.059 0.011 0.000 0.903 798 L HN 0.407 nan 8.230 nan 0.000 0.435 799 Q N -0.977 118.834 119.800 0.019 0.000 2.002 799 Q HA -0.221 4.070 4.340 -0.082 0.000 0.204 799 Q C 2.286 178.300 176.000 0.024 0.000 0.988 799 Q CA 1.944 57.758 55.803 0.017 0.000 0.843 799 Q CB -0.279 28.463 28.738 0.008 0.000 0.908 799 Q HN 0.335 nan 8.270 nan 0.000 0.420 800 V N 1.095 121.024 119.914 0.026 0.000 2.380 800 V HA -0.301 3.770 4.120 -0.082 0.000 0.251 800 V C 2.333 178.461 176.094 0.057 0.000 1.063 800 V CA 1.919 64.242 62.300 0.038 0.000 1.055 800 V CB -0.670 31.176 31.823 0.039 0.000 0.657 800 V HN 0.344 nan 8.190 nan 0.000 0.455 801 R N -0.006 120.526 120.500 0.054 0.000 2.115 801 R HA -0.136 4.155 4.340 -0.082 0.000 0.230 801 R C 2.348 178.688 176.300 0.067 0.000 1.111 801 R CA 1.460 57.599 56.100 0.065 0.000 0.976 801 R CB -0.393 29.938 30.300 0.052 0.000 0.870 801 R HN 0.507 nan 8.270 nan 0.000 0.445 802 A N 1.256 124.111 122.820 0.058 0.000 1.892 802 A HA -0.199 4.072 4.320 -0.082 0.000 0.218 802 A C 2.141 179.790 177.584 0.109 0.000 1.188 802 A CA 1.655 53.736 52.037 0.073 0.000 0.631 802 A CB -0.538 18.499 19.000 0.062 0.000 0.822 802 A HN 0.322 nan 8.150 nan 0.000 0.447 803 I N -0.793 119.826 120.570 0.081 0.000 2.315 803 I HA -0.220 3.901 4.170 -0.082 0.000 0.248 803 I C 2.410 178.591 176.117 0.106 0.000 1.117 803 I CA 0.965 62.309 61.300 0.074 0.000 1.404 803 I CB -0.224 37.794 38.000 0.031 0.000 1.071 803 I HN 0.274 nan 8.210 nan 0.000 0.419 804 L N -0.324 120.965 121.223 0.110 0.000 2.072 804 L HA -0.232 4.059 4.340 -0.082 0.000 0.205 804 L C 2.919 179.838 176.870 0.083 0.000 1.079 804 L CA 1.097 56.010 54.840 0.121 0.000 0.752 804 L CB -0.523 41.634 42.059 0.163 0.000 0.906 804 L HN 0.144 nan 8.230 nan 0.000 0.436 805 Q N -1.345 118.501 119.800 0.077 0.000 2.045 805 Q HA -0.316 3.975 4.340 -0.082 0.000 0.206 805 Q C 2.301 178.321 176.000 0.032 0.000 0.991 805 Q CA 1.877 57.704 55.803 0.039 0.000 0.851 805 Q CB -0.955 27.804 28.738 0.035 0.000 0.911 805 Q HN 0.590 nan 8.270 nan 0.000 0.418 806 H N -0.635 118.427 119.070 -0.014 0.000 2.457 806 H HA -0.040 4.467 4.556 -0.082 0.000 0.297 806 H C 1.997 177.299 175.328 -0.043 0.000 1.092 806 H CA 1.583 57.616 56.048 -0.025 0.000 1.309 806 H CB -0.217 29.535 29.762 -0.017 0.000 1.382 806 H HN 0.276 nan 8.280 nan 0.000 0.535 807 L N -0.345 120.933 121.223 0.092 0.000 2.554 807 L HA 0.209 4.500 4.340 -0.082 0.000 0.226 807 L C 1.457 178.285 176.870 -0.070 0.000 1.137 807 L CA 1.092 55.925 54.840 -0.012 0.000 0.863 807 L CB -0.952 41.057 42.059 -0.083 0.000 0.985 807 L HN 0.737 nan 8.230 nan 0.000 0.451 808 G N 0.034 108.797 108.800 -0.060 0.000 2.142 808 G HA2 -0.213 3.698 3.960 -0.082 0.000 0.225 808 G HA3 -0.213 3.698 3.960 -0.082 0.000 0.225 808 G C -0.206 174.626 174.900 -0.113 0.000 1.015 808 G CA 0.285 45.333 45.100 -0.087 0.000 0.716 808 G HN 0.533 nan 8.290 nan 0.000 0.508 809 L N 0.012 121.170 121.223 -0.108 0.000 2.333 809 L HA 0.617 4.908 4.340 -0.082 0.000 0.280 809 L C -0.080 176.711 176.870 -0.132 0.000 1.004 809 L CA -1.078 53.658 54.840 -0.172 0.000 0.820 809 L CB 1.850 43.819 42.059 -0.151 0.000 1.247 809 L HN 0.038 nan 8.230 nan 0.000 0.416 810 E N 2.238 122.330 120.200 -0.179 0.000 2.130 810 E HA 0.411 4.712 4.350 -0.082 0.000 0.284 810 E C -1.258 175.336 176.600 -0.010 0.000 1.018 810 E CA -0.033 56.319 56.400 -0.079 0.000 0.817 810 E CB 1.043 30.703 29.700 -0.067 0.000 1.078 810 E HN 0.459 nan 8.360 nan 0.000 0.396 811 S N 2.095 117.852 115.700 0.095 0.000 2.538 811 S HA 0.493 4.913 4.470 -0.082 0.000 0.288 811 S C -0.288 174.400 174.600 0.147 0.000 1.108 811 S CA -1.034 57.306 58.200 0.234 0.000 0.971 811 S CB 1.463 64.843 63.200 0.301 0.000 1.041 811 S HN 0.558 nan 8.310 nan 0.000 0.483 812 T N -1.659 112.982 114.554 0.145 0.000 2.874 812 T HA 0.217 4.518 4.350 -0.082 0.000 0.281 812 T C 1.345 176.090 174.700 0.074 0.000 0.994 812 T CA -0.554 61.597 62.100 0.084 0.000 1.015 812 T CB 0.406 69.315 68.868 0.069 0.000 1.028 812 T HN 0.620 nan 8.240 nan 0.000 0.523 813 C N 1.062 120.391 119.300 0.049 0.000 2.401 813 C HA -0.060 4.351 4.460 -0.082 0.000 0.286 813 C C 2.345 177.356 174.990 0.035 0.000 1.332 813 C CA 0.727 59.770 59.018 0.041 0.000 1.795 813 C CB -1.400 26.358 27.740 0.031 0.000 1.922 813 C HN 0.860 nan 8.230 nan 0.000 0.520 814 D N 0.474 120.893 120.400 0.032 0.000 2.149 814 D HA -0.073 4.518 4.640 -0.082 0.000 0.206 814 D C 1.674 177.973 176.300 -0.001 0.000 0.967 814 D CA 1.049 55.057 54.000 0.012 0.000 0.848 814 D CB -0.542 40.264 40.800 0.010 0.000 0.998 814 D HN 0.430 nan 8.370 nan 0.000 0.474 815 D N 0.455 120.862 120.400 0.012 0.000 2.228 815 D HA -0.085 4.506 4.640 -0.082 0.000 0.203 815 D C 1.802 178.104 176.300 0.004 0.000 0.988 815 D CA 0.792 54.772 54.000 -0.034 0.000 0.864 815 D CB -0.028 40.834 40.800 0.105 0.000 0.928 815 D HN 0.041 nan 8.370 nan 0.000 0.469 816 S N 0.005 115.739 115.700 0.056 0.000 2.478 816 S HA 0.034 4.455 4.470 -0.082 0.000 0.222 816 S C 2.088 176.714 174.600 0.042 0.000 1.008 816 S CA -0.098 58.147 58.200 0.073 0.000 0.928 816 S CB 0.183 63.434 63.200 0.085 0.000 0.781 816 S HN 0.417 nan 8.310 nan 0.000 0.518 817 I N -1.019 119.565 120.570 0.023 0.000 2.928 817 I HA 0.105 4.226 4.170 -0.082 0.000 0.266 817 I C 1.735 177.861 176.117 0.016 0.000 1.234 817 I CA 0.936 62.245 61.300 0.016 0.000 1.483 817 I CB -0.323 37.678 38.000 0.002 0.000 1.097 817 I HN 0.122 nan 8.210 nan 0.000 0.455 818 I N 0.613 121.186 120.570 0.005 0.000 2.260 818 I HA -0.130 3.991 4.170 -0.082 0.000 0.237 818 I C 2.605 178.728 176.117 0.010 0.000 1.075 818 I CA 0.844 62.153 61.300 0.014 0.000 1.376 818 I CB -0.252 37.736 38.000 -0.020 0.000 1.107 818 I HN 0.003 nan 8.210 nan 0.000 0.420 819 V N 1.515 121.416 119.914 -0.022 0.000 2.277 819 V HA -0.418 3.653 4.120 -0.082 0.000 0.253 819 V C 2.528 178.610 176.094 -0.020 0.000 1.067 819 V CA 2.480 64.763 62.300 -0.028 0.000 1.047 819 V CB -0.833 31.022 31.823 0.055 0.000 0.649 819 V HN 0.453 nan 8.190 nan 0.000 0.447 820 K N -0.228 120.181 120.400 0.015 0.000 2.097 820 K HA -0.272 3.999 4.320 -0.082 0.000 0.206 820 K C 2.116 178.724 176.600 0.013 0.000 1.049 820 K CA 2.001 58.300 56.287 0.020 0.000 0.933 820 K CB -0.081 32.438 32.500 0.031 0.000 0.717 820 K HN 0.513 nan 8.250 nan 0.000 0.442 821 E N 0.309 120.517 120.200 0.013 0.000 2.046 821 E HA -0.102 4.199 4.350 -0.082 0.000 0.190 821 E C 1.775 178.372 176.600 -0.004 0.000 0.982 821 E CA 1.275 57.684 56.400 0.016 0.000 0.800 821 E CB -0.152 29.569 29.700 0.035 0.000 0.756 821 E HN 0.118 nan 8.360 nan 0.000 0.449 822 V N 0.323 120.223 119.914 -0.023 0.000 2.317 822 V HA -0.410 3.661 4.120 -0.082 0.000 0.251 822 V C 2.512 178.537 176.094 -0.114 0.000 1.065 822 V CA 1.964 64.207 62.300 -0.096 0.000 1.049 822 V CB -0.741 30.970 31.823 -0.187 0.000 0.651 822 V HN 0.490 nan 8.190 nan 0.000 0.450 823 C N -0.490 118.754 119.300 -0.093 0.000 2.489 823 C HA -0.115 4.296 4.460 -0.082 0.000 0.279 823 C C 2.985 177.987 174.990 0.019 0.000 1.266 823 C CA 1.405 60.390 59.018 -0.057 0.000 1.707 823 C CB -1.294 26.430 27.740 -0.026 0.000 2.059 823 C HN 0.641 nan 8.230 nan 0.000 0.481 824 T N 1.222 115.800 114.554 0.040 0.000 2.685 824 T HA -0.190 4.111 4.350 -0.082 0.000 0.268 824 T C 1.772 176.489 174.700 0.029 0.000 1.034 824 T CA 1.843 63.986 62.100 0.071 0.000 1.149 824 T CB -0.474 68.420 68.868 0.044 0.000 0.860 824 T HN 0.367 nan 8.240 nan 0.000 0.449 825 V N 0.853 120.764 119.914 -0.005 0.000 2.358 825 V HA -0.128 3.943 4.120 -0.082 0.000 0.246 825 V C 2.672 178.745 176.094 -0.035 0.000 1.047 825 V CA 1.265 63.550 62.300 -0.024 0.000 1.035 825 V CB -0.602 31.206 31.823 -0.025 0.000 0.658 825 V HN 0.323 nan 8.190 nan 0.000 0.452 826 V N 0.104 119.992 119.914 -0.044 0.000 2.427 826 V HA -0.182 3.889 4.120 -0.082 0.000 0.248 826 V C 2.599 178.672 176.094 -0.034 0.000 1.051 826 V CA 1.927 64.198 62.300 -0.048 0.000 1.048 826 V CB -0.829 30.950 31.823 -0.073 0.000 0.666 826 V HN 0.552 nan 8.190 nan 0.000 0.456 827 A N -0.290 122.519 122.820 -0.017 0.000 1.970 827 A HA -0.149 4.121 4.320 -0.082 0.000 0.216 827 A C 2.373 179.905 177.584 -0.086 0.000 1.170 827 A CA 1.480 53.493 52.037 -0.039 0.000 0.645 827 A CB -0.464 18.509 19.000 -0.045 0.000 0.816 827 A HN 0.456 nan 8.150 nan 0.000 0.447 828 R N -0.352 120.112 120.500 -0.059 0.000 2.081 828 R HA -0.124 4.167 4.340 -0.082 0.000 0.235 828 R C 2.426 178.630 176.300 -0.160 0.000 1.131 828 R CA 1.634 57.667 56.100 -0.112 0.000 0.960 828 R CB -0.281 29.974 30.300 -0.075 0.000 0.856 828 R HN 0.516 nan 8.270 nan 0.000 0.436 829 R N -0.053 120.377 120.500 -0.117 0.000 2.081 829 R HA -0.122 4.169 4.340 -0.082 0.000 0.235 829 R C 2.094 178.302 176.300 -0.153 0.000 1.131 829 R CA 1.489 57.516 56.100 -0.121 0.000 0.960 829 R CB -0.269 29.984 30.300 -0.078 0.000 0.856 829 R HN 0.316 nan 8.270 nan 0.000 0.436 830 A N 0.849 123.590 122.820 -0.132 0.000 1.858 830 A HA -0.146 4.125 4.320 -0.082 0.000 0.216 830 A C 2.386 179.801 177.584 -0.281 0.000 1.190 830 A CA 1.819 53.800 52.037 -0.094 0.000 0.617 830 A CB -0.975 18.087 19.000 0.103 0.000 0.827 830 A HN 0.525 nan 8.150 nan 0.000 0.443 831 A N -0.796 121.613 122.820 -0.684 0.000 1.917 831 A HA -0.269 4.001 4.320 -0.082 0.000 0.219 831 A C 2.148 179.389 177.584 -0.572 0.000 1.182 831 A CA 1.902 53.180 52.037 -1.265 0.000 0.633 831 A CB -0.610 17.732 19.000 -1.097 0.000 0.819 831 A HN 0.697 nan 8.150 nan 0.000 0.448 832 Q N -0.822 118.769 119.800 -0.349 0.000 2.137 832 Q HA 0.069 4.360 4.340 -0.082 0.000 0.198 832 Q C 2.128 178.036 176.000 -0.155 0.000 0.960 832 Q CA 0.929 56.603 55.803 -0.215 0.000 0.847 832 Q CB -0.202 28.431 28.738 -0.175 0.000 0.915 832 Q HN 0.672 nan 8.270 nan 0.000 0.448 833 L N 0.057 121.189 121.223 -0.153 0.000 2.017 833 L HA -0.227 4.064 4.340 -0.082 0.000 0.208 833 L C 2.752 179.586 176.870 -0.059 0.000 1.073 833 L CA 0.840 55.638 54.840 -0.070 0.000 0.745 833 L CB -0.604 41.386 42.059 -0.114 0.000 0.894 833 L HN 0.409 nan 8.230 nan 0.000 0.432 834 C N 0.517 119.733 119.300 -0.140 0.000 2.401 834 C HA -0.169 4.242 4.460 -0.082 0.000 0.276 834 C C 2.879 177.922 174.990 0.089 0.000 1.233 834 C CA 1.163 60.179 59.018 -0.003 0.000 1.753 834 C CB -1.315 26.552 27.740 0.213 0.000 2.029 834 C HN 0.671 nan 8.230 nan 0.000 0.478 835 G N -0.467 108.339 108.800 0.009 0.000 2.408 835 G HA2 0.032 3.943 3.960 -0.082 0.000 0.217 835 G HA3 0.032 3.943 3.960 -0.082 0.000 0.217 835 G C 1.921 176.852 174.900 0.052 0.000 1.150 835 G CA 1.009 46.138 45.100 0.049 0.000 0.776 835 G HN 0.762 nan 8.290 nan 0.000 0.542 836 A N 0.705 123.526 122.820 0.001 0.000 1.970 836 A HA 0.281 4.552 4.320 -0.082 0.000 0.216 836 A C 2.638 180.210 177.584 -0.021 0.000 1.170 836 A CA 1.755 53.782 52.037 -0.016 0.000 0.645 836 A CB -0.775 18.204 19.000 -0.036 0.000 0.816 836 A HN 0.442 nan 8.150 nan 0.000 0.447 837 G N -0.466 108.307 108.800 -0.043 0.000 2.421 837 G HA2 -0.207 3.704 3.960 -0.082 0.000 0.216 837 G HA3 -0.207 3.704 3.960 -0.082 0.000 0.216 837 G C 1.517 176.475 174.900 0.097 0.000 1.171 837 G CA 1.526 46.515 45.100 -0.184 0.000 0.775 837 G HN 0.425 nan 8.290 nan 0.000 0.543 838 M N 1.521 121.278 119.600 0.262 0.000 2.099 838 M HA 0.259 4.690 4.480 -0.082 0.000 0.262 838 M C 2.735 179.124 176.300 0.148 0.000 1.067 838 M CA 1.474 56.968 55.300 0.324 0.000 1.124 838 M CB -0.624 32.228 32.600 0.419 0.000 1.353 838 M HN 0.235 nan 8.290 nan 0.000 0.410 839 A N 0.115 123.001 122.820 0.111 0.000 1.915 839 A HA -0.215 4.056 4.320 -0.082 0.000 0.220 839 A C 2.409 179.993 177.584 0.000 0.000 1.198 839 A CA 2.769 54.835 52.037 0.049 0.000 0.647 839 A CB -1.677 17.336 19.000 0.023 0.000 0.825 839 A HN 0.692 nan 8.150 nan 0.000 0.456 840 A N -1.072 121.734 122.820 -0.023 0.000 1.940 840 A HA -0.003 4.268 4.320 -0.082 0.000 0.219 840 A C 2.243 179.765 177.584 -0.104 0.000 1.176 840 A CA 1.937 53.932 52.037 -0.070 0.000 0.631 840 A CB -0.821 18.109 19.000 -0.117 0.000 0.814 840 A HN 0.477 nan 8.150 nan 0.000 0.446 841 V N 0.076 119.922 119.914 -0.114 0.000 2.379 841 V HA -0.194 3.877 4.120 -0.082 0.000 0.245 841 V C 2.712 178.670 176.094 -0.225 0.000 1.044 841 V CA 1.828 63.955 62.300 -0.289 0.000 1.036 841 V CB -0.600 31.067 31.823 -0.260 0.000 0.664 841 V HN 0.575 nan 8.190 nan 0.000 0.453 842 V N -1.818 118.036 119.914 -0.100 0.000 2.323 842 V HA -0.155 3.916 4.120 -0.082 0.000 0.244 842 V C 2.121 178.190 176.094 -0.042 0.000 1.041 842 V CA 2.117 64.380 62.300 -0.062 0.000 1.025 842 V CB -0.946 30.854 31.823 -0.039 0.000 0.656 842 V HN 0.391 nan 8.190 nan 0.000 0.451 843 D N 0.224 120.603 120.400 -0.035 0.000 2.218 843 D HA -0.143 4.448 4.640 -0.082 0.000 0.204 843 D C 2.209 178.497 176.300 -0.019 0.000 0.976 843 D CA 1.491 55.479 54.000 -0.021 0.000 0.853 843 D CB -0.189 40.601 40.800 -0.017 0.000 0.939 843 D HN 0.482 nan 8.370 nan 0.000 0.481 844 R N 0.659 121.136 120.500 -0.039 0.000 2.062 844 R HA 0.009 4.300 4.340 -0.082 0.000 0.231 844 R C 2.275 178.597 176.300 0.036 0.000 1.136 844 R CA 0.992 57.085 56.100 -0.011 0.000 0.948 844 R CB -0.672 29.598 30.300 -0.050 0.000 0.845 844 R HN 0.126 nan 8.270 nan 0.000 0.430 845 I N 0.484 121.077 120.570 0.038 0.000 2.208 845 I HA -0.307 3.814 4.170 -0.082 0.000 0.245 845 I C 2.716 178.861 176.117 0.045 0.000 1.097 845 I CA 1.693 63.044 61.300 0.085 0.000 1.363 845 I CB -0.429 37.623 38.000 0.087 0.000 1.051 845 I HN 0.294 nan 8.210 nan 0.000 0.413 846 R N 1.269 121.781 120.500 0.021 0.000 2.075 846 R HA -0.178 4.113 4.340 -0.082 0.000 0.232 846 R C 2.057 178.366 176.300 0.015 0.000 1.126 846 R CA 1.617 57.725 56.100 0.013 0.000 0.963 846 R CB -0.064 30.238 30.300 0.003 0.000 0.858 846 R HN 0.399 nan 8.270 nan 0.000 0.435 847 E N -0.155 120.054 120.200 0.015 0.000 2.208 847 E HA -0.100 4.201 4.350 -0.082 0.000 0.193 847 E C 1.600 178.212 176.600 0.020 0.000 0.988 847 E CA 0.611 57.020 56.400 0.015 0.000 0.828 847 E CB 0.036 29.743 29.700 0.012 0.000 0.763 847 E HN 0.335 nan 8.360 nan 0.000 0.478 848 N N 0.751 119.469 118.700 0.030 0.000 2.309 848 N HA -0.084 4.607 4.740 -0.082 0.000 0.182 848 N C 0.973 176.496 175.510 0.022 0.000 1.018 848 N CA 0.887 53.956 53.050 0.032 0.000 0.876 848 N CB 0.092 38.611 38.487 0.053 0.000 0.972 848 N HN 0.091 nan 8.380 nan 0.000 0.434 849 R N -0.758 119.755 120.500 0.021 0.000 2.468 849 R HA 0.221 4.512 4.340 -0.082 0.000 0.280 849 R C 0.937 177.243 176.300 0.011 0.000 0.963 849 R CA 0.304 56.414 56.100 0.015 0.000 1.083 849 R CB 0.339 30.649 30.300 0.018 0.000 1.200 849 R HN 0.080 nan 8.270 nan 0.000 0.541 850 G N 1.705 110.512 108.800 0.011 0.000 2.216 850 G HA2 -0.327 3.584 3.960 -0.082 0.000 0.269 850 G HA3 -0.327 3.584 3.960 -0.082 0.000 0.269 850 G C 0.337 175.242 174.900 0.007 0.000 0.981 850 G CA 0.422 45.527 45.100 0.008 0.000 0.658 850 G HN 0.224 nan 8.290 nan 0.000 0.539 851 L N -0.018 121.210 121.223 0.008 0.000 2.483 851 L HA 0.215 4.506 4.340 -0.082 0.000 0.275 851 L C 1.384 178.256 176.870 0.005 0.000 1.220 851 L CA -0.082 54.762 54.840 0.006 0.000 0.833 851 L CB 0.314 42.377 42.059 0.007 0.000 1.102 851 L HN -0.019 nan 8.230 nan 0.000 0.490 852 D N 0.487 120.889 120.400 0.003 0.000 2.301 852 D HA 0.175 4.766 4.640 -0.082 0.000 0.206 852 D C 0.258 176.558 176.300 0.000 0.000 0.979 852 D CA 0.652 54.654 54.000 0.002 0.000 0.874 852 D CB 0.694 41.495 40.800 0.002 0.000 0.968 852 D HN 0.572 nan 8.370 nan 0.000 0.510 853 A N 0.243 123.062 122.820 -0.002 0.000 2.539 853 A HA 0.638 4.909 4.320 -0.082 0.000 0.296 853 A C -1.742 175.836 177.584 -0.010 0.000 1.073 853 A CA -0.529 51.504 52.037 -0.007 0.000 0.700 853 A CB 1.813 20.808 19.000 -0.010 0.000 1.296 853 A HN 0.067 nan 8.150 nan 0.000 0.405 854 L N 0.658 121.870 121.223 -0.018 0.000 2.381 854 L HA 0.748 5.039 4.340 -0.082 0.000 0.274 854 L C 0.099 176.939 176.870 -0.051 0.000 0.988 854 L CA 0.009 54.834 54.840 -0.024 0.000 0.824 854 L CB 1.532 43.581 42.059 -0.017 0.000 1.263 854 L HN 0.936 nan 8.230 nan 0.000 0.410 855 K N 3.846 124.202 120.400 -0.072 0.000 2.183 855 K HA 0.848 5.119 4.320 -0.082 0.000 0.274 855 K C -1.250 175.270 176.600 -0.134 0.000 1.009 855 K CA -0.321 55.880 56.287 -0.144 0.000 0.888 855 K CB 1.549 33.908 32.500 -0.236 0.000 1.078 855 K HN 0.495 nan 8.250 nan 0.000 0.459 856 V N 1.615 121.442 119.914 -0.145 0.000 3.077 856 V HA 0.513 4.584 4.120 -0.082 0.000 0.299 856 V C -0.498 175.506 176.094 -0.149 0.000 1.276 856 V CA -0.760 61.483 62.300 -0.097 0.000 0.993 856 V CB 2.772 34.549 31.823 -0.077 0.000 1.076 856 V HN 0.976 nan 8.190 nan 0.000 0.434 857 T N 2.607 117.101 114.554 -0.100 0.000 2.918 857 T HA 0.710 5.011 4.350 -0.082 0.000 0.286 857 T C -0.792 173.802 174.700 -0.177 0.000 1.026 857 T CA -0.513 61.497 62.100 -0.149 0.000 1.031 857 T CB 1.895 70.735 68.868 -0.047 0.000 1.046 857 T HN 0.399 nan 8.240 nan 0.000 0.479 858 V N 2.055 121.804 119.914 -0.274 0.000 2.407 858 V HA 0.598 4.669 4.120 -0.082 0.000 0.291 858 V C 0.734 176.786 176.094 -0.070 0.000 1.018 858 V CA -0.906 61.276 62.300 -0.196 0.000 0.842 858 V CB 1.499 33.125 31.823 -0.328 0.000 0.996 858 V HN 1.066 nan 8.190 nan 0.000 0.426 859 G N 3.842 112.621 108.800 -0.035 0.000 2.403 859 G HA2 0.529 4.440 3.960 -0.082 0.000 0.259 859 G HA3 0.529 4.440 3.960 -0.082 0.000 0.259 859 G C -0.719 174.158 174.900 -0.039 0.000 1.244 859 G CA -0.092 45.000 45.100 -0.013 0.000 0.849 859 G HN 0.583 nan 8.290 nan 0.000 0.532 860 V N 2.391 122.266 119.914 -0.064 0.000 2.925 860 V HA 0.633 4.703 4.120 -0.082 0.000 0.311 860 V C -0.904 175.080 176.094 -0.184 0.000 1.104 860 V CA -0.817 61.359 62.300 -0.206 0.000 0.954 860 V CB 2.299 33.831 31.823 -0.484 0.000 1.022 860 V HN 0.816 nan 8.190 nan 0.000 0.427 861 D N 0.483 120.765 120.400 -0.196 0.000 2.615 861 D HA 0.768 5.359 4.640 -0.082 0.000 0.267 861 D C -0.446 175.806 176.300 -0.080 0.000 1.236 861 D CA 0.737 54.685 54.000 -0.088 0.000 0.839 861 D CB 2.532 43.301 40.800 -0.051 0.000 1.380 861 D HN 1.126 nan 8.370 nan 0.000 0.433 862 G N -0.609 108.184 108.800 -0.011 0.000 2.379 862 G HA2 0.124 4.035 3.960 -0.082 0.000 0.609 862 G HA3 0.124 4.035 3.960 -0.082 0.000 0.609 862 G C 0.629 175.537 174.900 0.013 0.000 1.484 862 G CA 0.367 45.457 45.100 -0.017 0.000 0.921 862 G HN 0.526 nan 8.290 nan 0.000 0.658 863 T N -0.096 114.452 114.554 -0.010 0.000 2.867 863 T HA -0.050 4.251 4.350 -0.082 0.000 0.268 863 T C 2.418 177.105 174.700 -0.023 0.000 1.057 863 T CA 1.891 63.987 62.100 -0.006 0.000 1.136 863 T CB -0.072 68.790 68.868 -0.010 0.000 0.874 863 T HN 0.898 nan 8.240 nan 0.000 0.466 864 L N 0.214 121.393 121.223 -0.073 0.000 1.994 864 L HA 0.046 4.337 4.340 -0.082 0.000 0.208 864 L C 2.391 179.150 176.870 -0.185 0.000 1.071 864 L CA 1.696 56.444 54.840 -0.154 0.000 0.745 864 L CB -1.142 40.740 42.059 -0.294 0.000 0.892 864 L HN 0.319 nan 8.230 nan 0.000 0.431 865 Y N 1.018 121.114 120.300 -0.341 0.000 2.181 865 Y HA -0.344 4.158 4.550 -0.082 0.000 0.284 865 Y C 2.368 178.224 175.900 -0.073 0.000 1.179 865 Y CA 2.597 60.548 58.100 -0.248 0.000 1.179 865 Y CB -0.114 38.258 38.460 -0.147 0.000 0.973 865 Y HN 0.431 nan 8.280 nan 0.000 0.519 866 K N -1.335 119.103 120.400 0.063 0.000 2.354 866 K HA 0.136 4.407 4.320 -0.082 0.000 0.194 866 K C 1.405 177.992 176.600 -0.023 0.000 1.038 866 K CA 0.580 56.882 56.287 0.026 0.000 1.052 866 K CB -0.029 32.541 32.500 0.116 0.000 0.861 866 K HN 0.357 nan 8.250 nan 0.000 0.535 867 L N 0.334 121.544 121.223 -0.022 0.000 2.298 867 L HA 0.121 4.412 4.340 -0.082 0.000 0.209 867 L C 1.165 178.006 176.870 -0.049 0.000 1.084 867 L CA 0.016 54.837 54.840 -0.031 0.000 0.816 867 L CB -0.199 41.851 42.059 -0.016 0.000 0.967 867 L HN 0.368 nan 8.230 nan 0.000 0.460 868 H N 2.676 121.671 119.070 -0.125 0.000 2.722 868 H HA 0.059 4.566 4.556 -0.082 0.000 0.328 868 H C -1.543 173.678 175.328 -0.178 0.000 1.067 868 H CA -1.357 54.618 56.048 -0.122 0.000 1.447 868 H CB 1.850 31.576 29.762 -0.060 0.000 1.469 868 H HN -0.050 nan 8.280 nan 0.000 0.544 869 P HA -0.127 nan 4.420 nan 0.000 0.218 869 P C 0.262 177.308 177.300 -0.423 0.000 1.148 869 P CA 1.596 64.355 63.100 -0.568 0.000 0.822 869 P CB 0.436 31.596 31.700 -0.901 0.000 0.784 870 H N -3.806 115.294 119.070 0.049 0.000 2.926 870 H HA 0.208 4.715 4.556 -0.082 0.000 0.249 870 H C 1.728 177.103 175.328 0.080 0.000 0.963 870 H CA -0.354 55.735 56.048 0.069 0.000 1.158 870 H CB -0.553 29.248 29.762 0.065 0.000 1.445 870 H HN -0.098 nan 8.280 nan 0.000 0.452 871 F N 2.614 122.692 119.950 0.215 0.000 2.063 871 F HA -0.380 4.098 4.527 -0.082 0.000 0.298 871 F C 2.513 178.161 175.800 -0.255 0.000 1.105 871 F CA 1.703 59.645 58.000 -0.097 0.000 1.215 871 F CB -0.189 38.678 39.000 -0.222 0.000 0.972 871 F HN 0.192 nan 8.300 nan 0.000 0.483 872 A N -0.346 122.410 122.820 -0.106 0.000 1.908 872 A HA -0.224 4.047 4.320 -0.082 0.000 0.218 872 A C 2.195 179.219 177.584 -0.933 0.000 1.181 872 A CA 2.318 53.992 52.037 -0.605 0.000 0.627 872 A CB -0.916 17.635 19.000 -0.747 0.000 0.818 872 A HN 0.356 nan 8.150 nan 0.000 0.445 873 K N -1.218 118.899 120.400 -0.472 0.000 2.076 873 K HA 0.030 4.301 4.320 -0.082 0.000 0.204 873 K C 2.076 178.536 176.600 -0.233 0.000 1.051 873 K CA 1.031 57.128 56.287 -0.316 0.000 0.949 873 K CB -1.022 31.421 32.500 -0.095 0.000 0.726 873 K HN 0.398 nan 8.250 nan 0.000 0.443 874 V N 1.667 121.457 119.914 -0.208 0.000 2.453 874 V HA -0.264 3.807 4.120 -0.082 0.000 0.252 874 V C 2.418 178.373 176.094 -0.233 0.000 1.068 874 V CA 2.133 64.314 62.300 -0.199 0.000 1.070 874 V CB -0.553 31.138 31.823 -0.221 0.000 0.664 874 V HN 0.458 nan 8.190 nan 0.000 0.461 875 M N -0.559 118.843 119.600 -0.331 0.000 2.216 875 M HA -0.104 4.327 4.480 -0.082 0.000 0.264 875 M C 2.275 178.524 176.300 -0.084 0.000 1.080 875 M CA 1.836 56.985 55.300 -0.251 0.000 1.153 875 M CB -0.581 31.855 32.600 -0.272 0.000 1.356 875 M HN 0.485 nan 8.290 nan 0.000 0.432 876 H N -0.163 118.786 119.070 -0.202 0.000 2.352 876 H HA -0.152 4.355 4.556 -0.082 0.000 0.299 876 H C 1.840 177.184 175.328 0.026 0.000 1.097 876 H CA 1.561 57.545 56.048 -0.107 0.000 1.311 876 H CB -0.033 29.688 29.762 -0.069 0.000 1.377 876 H HN 0.521 nan 8.280 nan 0.000 0.504 877 E N 0.165 120.426 120.200 0.103 0.000 2.077 877 E HA -0.134 4.167 4.350 -0.082 0.000 0.193 877 E C 2.169 178.801 176.600 0.053 0.000 0.989 877 E CA 1.660 58.099 56.400 0.063 0.000 0.800 877 E CB 0.064 29.770 29.700 0.010 0.000 0.746 877 E HN 0.405 nan 8.360 nan 0.000 0.452 878 T N 0.373 114.938 114.554 0.019 0.000 2.821 878 T HA -0.106 4.195 4.350 -0.082 0.000 0.267 878 T C 2.038 176.765 174.700 0.045 0.000 1.046 878 T CA 0.999 63.102 62.100 0.005 0.000 1.139 878 T CB -0.094 68.744 68.868 -0.050 0.000 0.871 878 T HN -0.013 nan 8.240 nan 0.000 0.454 879 V N 1.302 121.277 119.914 0.103 0.000 2.453 879 V HA -0.100 3.971 4.120 -0.082 0.000 0.247 879 V C 2.519 178.686 176.094 0.121 0.000 1.048 879 V CA 1.323 63.711 62.300 0.146 0.000 1.049 879 V CB -0.501 31.496 31.823 0.290 0.000 0.672 879 V HN 0.393 nan 8.190 nan 0.000 0.457 880 K N 0.035 120.512 120.400 0.129 0.000 2.032 880 K HA -0.233 4.038 4.320 -0.082 0.000 0.209 880 K C 1.891 178.541 176.600 0.084 0.000 1.048 880 K CA 2.036 58.383 56.287 0.101 0.000 0.927 880 K CB -0.205 32.355 32.500 0.100 0.000 0.712 880 K HN 0.453 nan 8.250 nan 0.000 0.441 881 D N 0.428 120.882 120.400 0.091 0.000 2.144 881 D HA -0.106 4.485 4.640 -0.082 0.000 0.200 881 D C 1.794 178.175 176.300 0.135 0.000 0.978 881 D CA 0.973 55.051 54.000 0.131 0.000 0.833 881 D CB 0.033 40.939 40.800 0.177 0.000 0.961 881 D HN 0.202 nan 8.370 nan 0.000 0.470 882 L N -0.383 120.870 121.223 0.050 0.000 2.477 882 L HA 0.230 4.521 4.340 -0.082 0.000 0.220 882 L C 0.854 177.733 176.870 0.015 0.000 1.106 882 L CA 0.162 54.994 54.840 -0.013 0.000 0.851 882 L CB 0.237 42.251 42.059 -0.076 0.000 0.994 882 L HN -0.114 nan 8.230 nan 0.000 0.462 883 A N -0.539 122.303 122.820 0.037 0.000 3.204 883 A HA 0.451 4.722 4.320 -0.082 0.000 0.327 883 A C -1.910 175.695 177.584 0.034 0.000 0.998 883 A CA -0.985 51.070 52.037 0.030 0.000 0.891 883 A CB -0.023 18.995 19.000 0.029 0.000 1.061 883 A HN -0.050 nan 8.150 nan 0.000 0.478 884 P HA -0.175 nan 4.420 nan 0.000 0.216 884 P C 0.771 178.083 177.300 0.020 0.000 1.150 884 P CA 1.384 64.505 63.100 0.034 0.000 0.837 884 P CB 0.120 31.841 31.700 0.036 0.000 0.786 885 K N -1.575 118.833 120.400 0.014 0.000 2.589 885 K HA 0.156 4.427 4.320 -0.082 0.000 0.204 885 K C -0.307 176.293 176.600 -0.001 0.000 1.029 885 K CA -0.054 56.237 56.287 0.006 0.000 1.177 885 K CB -0.415 32.088 32.500 0.006 0.000 0.902 885 K HN 0.149 nan 8.250 nan 0.000 0.501 886 C N 0.359 119.659 119.300 -0.001 0.000 2.547 886 C HA 0.236 4.647 4.460 -0.082 0.000 0.313 886 C C -0.558 174.421 174.990 -0.019 0.000 1.191 886 C CA -1.183 57.826 59.018 -0.014 0.000 1.474 886 C CB 1.315 29.047 27.740 -0.013 0.000 2.081 886 C HN 0.373 nan 8.230 nan 0.000 0.476 887 D N 2.097 122.470 120.400 -0.044 0.000 2.493 887 D HA 0.429 5.020 4.640 -0.082 0.000 0.235 887 D C -0.502 175.742 176.300 -0.094 0.000 1.117 887 D CA 0.018 53.986 54.000 -0.054 0.000 0.930 887 D CB 0.683 41.446 40.800 -0.062 0.000 1.010 887 D HN 0.292 nan 8.370 nan 0.000 0.514 888 V N 2.223 122.081 119.914 -0.094 0.000 2.432 888 V HA 0.433 4.504 4.120 -0.082 0.000 0.275 888 V C 0.459 176.396 176.094 -0.262 0.000 1.043 888 V CA -0.579 61.587 62.300 -0.224 0.000 0.925 888 V CB 1.361 33.019 31.823 -0.276 0.000 0.985 888 V HN 0.457 nan 8.190 nan 0.000 0.466 889 S N 4.449 119.943 115.700 -0.344 0.000 2.482 889 S HA 0.736 5.156 4.470 -0.082 0.000 0.303 889 S C -1.072 173.307 174.600 -0.368 0.000 1.091 889 S CA -0.479 57.579 58.200 -0.237 0.000 1.057 889 S CB 0.630 63.758 63.200 -0.121 0.000 1.031 889 S HN 0.415 nan 8.310 nan 0.000 0.485 890 F N 4.293 124.166 119.950 -0.129 0.000 2.332 890 F HA 0.461 4.939 4.527 -0.082 0.000 0.368 890 F C -0.155 175.654 175.800 0.014 0.000 1.110 890 F CA -0.774 57.184 58.000 -0.070 0.000 1.087 890 F CB 1.297 40.229 39.000 -0.114 0.000 1.235 890 F HN 0.365 nan 8.300 nan 0.000 0.470 891 L N 4.486 125.785 121.223 0.127 0.000 2.257 891 L HA 0.330 4.621 4.340 -0.082 0.000 0.290 891 L C 0.027 176.973 176.870 0.126 0.000 1.044 891 L CA -0.138 54.771 54.840 0.114 0.000 0.810 891 L CB 0.922 43.017 42.059 0.061 0.000 1.193 891 L HN 0.559 nan 8.230 nan 0.000 0.425 892 Q N 2.788 122.693 119.800 0.175 0.000 2.297 892 Q HA 0.139 4.430 4.340 -0.082 0.000 0.267 892 Q C -0.188 175.873 176.000 0.102 0.000 1.006 892 Q CA -0.017 55.887 55.803 0.170 0.000 0.896 892 Q CB 0.811 29.705 28.738 0.260 0.000 1.186 892 Q HN 0.766 nan 8.270 nan 0.000 0.392 893 S N 2.912 118.649 115.700 0.062 0.000 2.510 893 S HA 0.188 4.609 4.470 -0.082 0.000 0.279 893 S C 0.707 175.336 174.600 0.048 0.000 1.284 893 S CA 0.525 58.752 58.200 0.044 0.000 1.059 893 S CB 1.115 64.325 63.200 0.015 0.000 0.901 893 S HN 0.767 nan 8.310 nan 0.000 0.491 894 E N 2.942 123.170 120.200 0.048 0.000 2.476 894 E HA 0.129 4.430 4.350 -0.082 0.000 0.199 894 E C 0.674 177.290 176.600 0.025 0.000 1.021 894 E CA 0.206 56.631 56.400 0.042 0.000 0.907 894 E CB -0.052 29.676 29.700 0.047 0.000 0.974 894 E HN 0.836 nan 8.360 nan 0.000 0.489 895 D N -0.706 119.706 120.400 0.019 0.000 2.469 895 D HA 0.314 4.905 4.640 -0.082 0.000 0.213 895 D C 0.958 177.254 176.300 -0.008 0.000 1.135 895 D CA 0.832 54.833 54.000 0.002 0.000 0.834 895 D CB 0.915 41.713 40.800 -0.003 0.000 1.009 895 D HN 0.563 nan 8.370 nan 0.000 0.507 896 G N 0.821 109.619 108.800 -0.003 0.000 2.860 896 G HA2 -0.280 3.631 3.960 -0.082 0.000 0.553 896 G HA3 -0.280 3.631 3.960 -0.082 0.000 0.553 896 G C 0.919 175.811 174.900 -0.015 0.000 1.439 896 G CA -0.045 45.050 45.100 -0.009 0.000 0.879 896 G HN 0.065 nan 8.290 nan 0.000 0.545 897 S N 0.297 115.989 115.700 -0.014 0.000 2.419 897 S HA -0.018 4.403 4.470 -0.082 0.000 0.233 897 S C 2.636 177.231 174.600 -0.008 0.000 1.016 897 S CA 2.026 60.218 58.200 -0.013 0.000 0.974 897 S CB -0.404 62.790 63.200 -0.010 0.000 0.786 897 S HN 1.719 nan 8.310 nan 0.000 0.492 898 G N 1.616 110.414 108.800 -0.003 0.000 2.462 898 G HA2 -0.238 3.673 3.960 -0.082 0.000 0.220 898 G HA3 -0.238 3.673 3.960 -0.082 0.000 0.220 898 G C 1.287 176.170 174.900 -0.029 0.000 1.121 898 G CA 0.942 46.041 45.100 -0.001 0.000 0.758 898 G HN 0.490 nan 8.290 nan 0.000 0.559 899 K N 0.117 120.485 120.400 -0.053 0.000 2.007 899 K HA 0.038 4.308 4.320 -0.082 0.000 0.206 899 K C 2.674 179.191 176.600 -0.139 0.000 1.047 899 K CA 1.205 57.428 56.287 -0.107 0.000 0.937 899 K CB -0.582 31.846 32.500 -0.120 0.000 0.718 899 K HN 0.172 nan 8.250 nan 0.000 0.438 900 G N 0.281 109.024 108.800 -0.096 0.000 2.432 900 G HA2 -0.227 3.684 3.960 -0.082 0.000 0.219 900 G HA3 -0.227 3.684 3.960 -0.082 0.000 0.219 900 G C 1.516 176.368 174.900 -0.080 0.000 1.135 900 G CA 0.877 45.927 45.100 -0.084 0.000 0.767 900 G HN 0.443 nan 8.290 nan 0.000 0.550 901 A N 1.369 124.156 122.820 -0.055 0.000 1.877 901 A HA 0.268 4.538 4.320 -0.082 0.000 0.216 901 A C 2.842 180.369 177.584 -0.096 0.000 1.186 901 A CA 2.178 54.195 52.037 -0.033 0.000 0.620 901 A CB -0.900 18.116 19.000 0.026 0.000 0.822 901 A HN 0.808 nan 8.150 nan 0.000 0.443 902 A N -0.320 122.416 122.820 -0.141 0.000 1.986 902 A HA -0.109 4.162 4.320 -0.082 0.000 0.220 902 A C 2.112 179.393 177.584 -0.505 0.000 1.171 902 A CA 1.668 53.519 52.037 -0.311 0.000 0.640 902 A CB -0.595 18.267 19.000 -0.229 0.000 0.811 902 A HN 0.501 nan 8.150 nan 0.000 0.451 903 L N -0.612 120.418 121.223 -0.321 0.000 2.240 903 L HA -0.032 4.259 4.340 -0.082 0.000 0.211 903 L C 2.152 178.905 176.870 -0.194 0.000 1.106 903 L CA 0.670 55.343 54.840 -0.277 0.000 0.793 903 L CB -0.368 41.580 42.059 -0.185 0.000 0.927 903 L HN 0.440 nan 8.230 nan 0.000 0.446 904 I N -1.721 118.763 120.570 -0.143 0.000 2.716 904 I HA -0.103 4.018 4.170 -0.082 0.000 0.259 904 I C 2.265 178.339 176.117 -0.071 0.000 1.172 904 I CA 0.763 62.018 61.300 -0.075 0.000 1.478 904 I CB -0.780 37.201 38.000 -0.031 0.000 1.104 904 I HN 0.099 nan 8.210 nan 0.000 0.439 905 T N 1.494 115.975 114.554 -0.121 0.000 2.737 905 T HA -0.052 4.249 4.350 -0.082 0.000 0.265 905 T C 2.237 176.900 174.700 -0.062 0.000 1.038 905 T CA 1.517 63.578 62.100 -0.065 0.000 1.144 905 T CB -0.228 68.613 68.868 -0.046 0.000 0.866 905 T HN 0.465 nan 8.240 nan 0.000 0.434 906 A N 1.113 123.722 122.820 -0.351 0.000 1.902 906 A HA -0.053 4.217 4.320 -0.082 0.000 0.217 906 A C 2.582 180.167 177.584 0.001 0.000 1.181 906 A CA 1.364 53.296 52.037 -0.174 0.000 0.623 906 A CB -1.060 17.678 19.000 -0.436 0.000 0.818 906 A HN 0.347 nan 8.150 nan 0.000 0.443 907 V N -0.179 119.708 119.914 -0.044 0.000 2.343 907 V HA -0.249 3.822 4.120 -0.082 0.000 0.247 907 V C 3.046 179.155 176.094 0.025 0.000 1.051 907 V CA 1.980 64.280 62.300 0.000 0.000 1.036 907 V CB -1.242 30.575 31.823 -0.010 0.000 0.654 907 V HN 0.619 nan 8.190 nan 0.000 0.451 908 A N -1.143 121.693 122.820 0.025 0.000 1.898 908 A HA -0.236 4.035 4.320 -0.082 0.000 0.216 908 A C 2.378 179.997 177.584 0.059 0.000 1.181 908 A CA 2.085 54.147 52.037 0.040 0.000 0.620 908 A CB -1.075 17.949 19.000 0.040 0.000 0.819 908 A HN 0.579 nan 8.150 nan 0.000 0.442 909 C N -1.332 118.022 119.300 0.091 0.000 2.413 909 C HA -0.063 4.347 4.460 -0.082 0.000 0.278 909 C C 3.504 178.544 174.990 0.083 0.000 1.224 909 C CA 1.922 61.006 59.018 0.110 0.000 1.732 909 C CB -1.513 26.343 27.740 0.194 0.000 2.050 909 C HN 0.762 nan 8.230 nan 0.000 0.463 910 R N 0.229 120.780 120.500 0.086 0.000 2.117 910 R HA -0.136 4.155 4.340 -0.082 0.000 0.243 910 R C 1.795 178.122 176.300 0.045 0.000 1.143 910 R CA 2.107 58.245 56.100 0.063 0.000 0.968 910 R CB -1.457 28.880 30.300 0.062 0.000 0.863 910 R HN 0.733 nan 8.270 nan 0.000 0.444 911 I N 0.998 121.593 120.570 0.041 0.000 2.118 911 I HA -0.304 3.817 4.170 -0.082 0.000 0.241 911 I C 2.358 178.493 176.117 0.029 0.000 1.070 911 I CA 2.043 63.363 61.300 0.032 0.000 1.327 911 I CB -0.151 37.867 38.000 0.031 0.000 1.034 911 I HN 0.511 nan 8.210 nan 0.000 0.405 912 R N 1.172 121.692 120.500 0.033 0.000 2.823 912 R HA 0.216 4.507 4.340 -0.082 0.000 0.250 912 R C -0.176 176.139 176.300 0.025 0.000 1.332 912 R CA 0.130 56.246 56.100 0.027 0.000 1.259 912 R CB -0.183 30.133 30.300 0.026 0.000 1.225 912 R HN 0.378 nan 8.270 nan 0.000 0.545 913 E N 0.000 120.215 120.200 0.026 0.000 2.725 913 E HA 0.000 4.301 4.350 -0.082 0.000 0.291 913 E CA 0.000 56.414 56.400 0.023 0.000 0.976 913 E CB 0.000 29.716 29.700 0.027 0.000 0.812 913 E HN 0.000 nan 8.360 nan 0.000 0.440