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 2x05_1_A DATA FIRST_RESID 48 DATA SEQUENCE AGNATPIPGY VIQSSAQVSD DSAVSKPGFP TSGWYPVSSR STVYAGLLQN DATA SEQUENCE GKYADPFYST NMQNVPAAQF SVPWWYRTDL NVDDTSSRTY LDFSGVLSKA DATA SEQUENCE DVWVNGTKVA TKDQVNGAYT RHDLDITAQV HTGVNSVAFK VYPNDPNRDL DATA SEQUENCE SMGWIDWAQT PPDQNMGIVR DVLVRRSGAV ALRSAHVIQK LNSALDHADL DATA SEQUENCE TVKADVRNDS ANAVQTTVAG TVAGKPISQT VSLAAKERKT VTFPLVGLDR DATA SEQUENCE PNVWWPAGMG GQHRYDLDLT ASVGGTPSDA AKSKFGVRDV KATLNSSGGR DATA SEQUENCE QYSVNGKPLL IRGGGYTPDL FLRWNETAAA DKLKYVLNLG LNTVRLEGHI DATA SEQUENCE EPDEFFDIAD DLGVLTMPGW ECCDKWEGQV NGEEKGEPWV ESDYPIAKAS DATA SEQUENCE MFSEAERLRD HPSVISFHIG SDFAPDRRIE QGYLDAMKAA DFLLPVIPAA DATA SEQUENCE SARPSPITGA SGMKMNGPYD YVPPVYWYDK SQKDRGGAWS FNSETSAGVD DATA SEQUENCE IPTMDTLKRM MSASELDTMW KNPSAKQYHR SSSDTFGNLK LFGDALTKRY DATA SEQUENCE GASANLNDFV RKAQLSQYEN VRAEFESHSR NYTDSTNPST GLIYWMLNSP DATA SEQUENCE WTSLHWQLFD AYMDQNGAYY GAKKANEPLH IQYSHDNRSV VVINQTSNAV DATA SEQUENCE SGLTATTKLY NLDGTEKYSN TKTGLSVGAL GAKATAVTVP AVSGLSTTYL DATA SEQUENCE AKNVLTDSSG KEVSRNVYWL STKADTLNWG GSDWYYTPQS AFADLSGLNN DATA SEQUENCE LGQSAVGATA NSVAGADGTT TTTVTLKNTS GGRLPAFYVD SKVVDSAGKP DATA SEQUENCE VLPVEWNDNA VSLWPGETTT LTAKYRTADL KGSKPSVRIS GWNTGTQTVP DATA SEQUENCE AD 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 48 A HA 0.000 nan 4.320 nan 0.000 0.244 48 A C 0.000 177.618 177.584 0.056 0.000 1.274 48 A CA 0.000 52.073 52.037 0.060 0.000 0.836 48 A CB 0.000 19.035 19.000 0.058 0.000 0.831 49 G N 1.471 110.308 108.800 0.061 0.000 2.244 49 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.163 49 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.163 49 G C -0.414 174.521 174.900 0.057 0.000 1.064 49 G CA -0.037 45.094 45.100 0.053 0.000 0.757 49 G HN 0.965 nan 8.290 nan 0.000 0.484 50 N N 0.334 119.076 118.700 0.070 0.000 2.443 50 N HA 0.746 5.486 4.740 -0.001 0.000 0.295 50 N C -0.396 175.166 175.510 0.086 0.000 1.076 50 N CA 0.263 53.358 53.050 0.075 0.000 0.919 50 N CB 1.745 40.280 38.487 0.081 0.000 1.176 50 N HN 0.778 nan 8.380 nan 0.000 0.487 51 A N 2.208 125.079 122.820 0.085 0.000 2.547 51 A HA 0.388 4.707 4.320 -0.001 0.000 0.279 51 A C -1.146 176.496 177.584 0.096 0.000 1.088 51 A CA -0.575 51.520 52.037 0.097 0.000 0.796 51 A CB 0.723 19.775 19.000 0.088 0.000 1.308 51 A HN 0.487 nan 8.150 nan 0.000 0.415 52 T N 4.652 119.268 114.554 0.104 0.000 2.809 52 T HA 0.591 4.941 4.350 -0.001 0.000 0.284 52 T C -2.899 171.863 174.700 0.104 0.000 0.992 52 T CA -1.204 60.953 62.100 0.094 0.000 0.957 52 T CB 1.506 70.422 68.868 0.080 0.000 0.942 52 T HN 0.393 nan 8.240 nan 0.000 0.439 53 P HA 0.178 nan 4.420 nan 0.000 0.268 53 P C -0.146 177.202 177.300 0.081 0.000 1.204 53 P CA -0.331 62.834 63.100 0.110 0.000 0.768 53 P CB 0.264 32.029 31.700 0.110 0.000 0.842 54 I N 6.412 127.026 120.570 0.073 0.000 2.587 54 I HA 0.006 4.175 4.170 -0.001 0.000 0.284 54 I C -0.859 175.226 176.117 -0.052 0.000 1.134 54 I CA -1.159 60.122 61.300 -0.033 0.000 1.410 54 I CB 0.682 38.609 38.000 -0.122 0.000 1.392 54 I HN 0.360 nan 8.210 nan 0.000 0.545 55 P HA 0.084 nan 4.420 nan 0.000 0.227 55 P C 0.460 177.762 177.300 0.003 0.000 1.161 55 P CA 0.619 63.723 63.100 0.006 0.000 0.788 55 P CB 0.527 32.237 31.700 0.017 0.000 0.822 56 G N -1.797 106.916 108.800 -0.144 0.000 2.368 56 G HA2 0.511 4.470 3.960 -0.001 0.000 0.293 56 G HA3 0.511 4.470 3.960 -0.001 0.000 0.293 56 G C -2.182 172.564 174.900 -0.256 0.000 1.467 56 G CA -0.701 44.373 45.100 -0.044 0.000 0.804 56 G HN -0.039 nan 8.290 nan 0.000 0.535 57 Y N -1.616 118.797 120.300 0.188 0.000 2.644 57 Y HA 0.689 5.238 4.550 -0.001 0.000 0.338 57 Y C 0.241 176.257 175.900 0.193 0.000 1.119 57 Y CA -1.276 56.952 58.100 0.215 0.000 1.060 57 Y CB 2.350 40.990 38.460 0.299 0.000 1.294 57 Y HN 0.632 nan 8.280 nan 0.000 0.472 58 V N 1.095 121.259 119.914 0.417 0.000 2.513 58 V HA 0.803 4.922 4.120 -0.001 0.000 0.299 58 V C -0.517 175.938 176.094 0.601 0.000 1.035 58 V CA -0.835 61.724 62.300 0.432 0.000 0.889 58 V CB 1.241 33.283 31.823 0.366 0.000 0.988 58 V HN 0.727 nan 8.190 nan 0.000 0.440 59 I N 1.354 122.218 120.570 0.491 0.000 2.785 59 I HA 0.998 5.168 4.170 -0.001 0.000 0.302 59 I C -0.789 175.391 176.117 0.104 0.000 1.069 59 I CA -0.775 60.706 61.300 0.303 0.000 1.045 59 I CB 2.327 40.282 38.000 -0.076 0.000 1.236 59 I HN 0.759 nan 8.210 nan 0.000 0.429 60 Q N 2.615 122.195 119.800 -0.366 0.000 2.527 60 Q HA 0.372 4.711 4.340 -0.001 0.000 0.280 60 Q C -1.225 174.177 176.000 -0.997 0.000 0.977 60 Q CA -0.445 54.851 55.803 -0.845 0.000 0.837 60 Q CB 2.302 29.799 28.738 -2.068 0.000 1.454 60 Q HN 0.901 nan 8.270 nan 0.000 0.387 61 S N 0.323 114.945 115.700 -1.796 0.000 2.560 61 S HA 0.123 4.593 4.470 -0.001 0.000 0.284 61 S C 0.890 175.101 174.600 -0.648 0.000 1.327 61 S CA 0.627 57.790 58.200 -1.728 0.000 1.055 61 S CB 0.211 62.542 63.200 -1.447 0.000 0.868 61 S HN 0.760 nan 8.310 nan 0.000 0.506 62 S N 4.154 119.630 115.700 -0.373 0.000 2.507 62 S HA -0.038 4.431 4.470 -0.001 0.000 0.235 62 S C 1.915 176.479 174.600 -0.061 0.000 0.988 62 S CA 0.637 58.833 58.200 -0.007 0.000 0.944 62 S CB -0.670 62.486 63.200 -0.075 0.000 0.762 62 S HN 0.946 nan 8.310 nan 0.000 0.526 63 A N 1.246 123.953 122.820 -0.189 0.000 2.032 63 A HA -0.132 4.187 4.320 -0.001 0.000 0.221 63 A C 2.114 179.644 177.584 -0.090 0.000 1.165 63 A CA 1.576 53.534 52.037 -0.132 0.000 0.645 63 A CB -0.540 18.358 19.000 -0.170 0.000 0.807 63 A HN 0.655 nan 8.150 nan 0.000 0.453 64 Q N -1.217 118.518 119.800 -0.108 0.000 2.219 64 Q HA 0.297 4.637 4.340 -0.001 0.000 0.209 64 Q C -0.994 175.032 176.000 0.044 0.000 0.854 64 Q CA -0.122 55.650 55.803 -0.051 0.000 0.960 64 Q CB 1.186 29.861 28.738 -0.106 0.000 1.116 64 Q HN 0.325 nan 8.270 nan 0.000 0.500 65 V N 1.289 121.240 119.914 0.062 0.000 2.376 65 V HA 0.138 4.257 4.120 -0.001 0.000 0.287 65 V C 0.567 176.700 176.094 0.064 0.000 1.015 65 V CA -0.115 62.235 62.300 0.084 0.000 0.834 65 V CB 1.565 33.426 31.823 0.064 0.000 1.001 65 V HN 0.249 nan 8.190 nan 0.000 0.428 66 S N 1.527 117.248 115.700 0.035 0.000 2.503 66 S HA 0.133 4.603 4.470 -0.001 0.000 0.215 66 S C 0.376 174.982 174.600 0.011 0.000 1.003 66 S CA 0.101 58.318 58.200 0.028 0.000 0.910 66 S CB 0.199 63.412 63.200 0.021 0.000 0.790 66 S HN 0.684 nan 8.310 nan 0.000 0.514 67 D N 0.951 121.331 120.400 -0.034 0.000 2.440 67 D HA 0.374 5.013 4.640 -0.001 0.000 0.252 67 D C -0.192 175.969 176.300 -0.231 0.000 1.180 67 D CA -0.414 53.535 54.000 -0.084 0.000 0.894 67 D CB 1.306 42.061 40.800 -0.075 0.000 1.111 67 D HN -0.213 nan 8.370 nan 0.000 0.544 68 D N 0.915 121.202 120.400 -0.187 0.000 2.123 68 D HA -0.188 4.451 4.640 -0.001 0.000 0.196 68 D C 1.977 177.646 176.300 -1.053 0.000 0.992 68 D CA 1.537 55.325 54.000 -0.353 0.000 0.833 68 D CB 0.027 40.871 40.800 0.073 0.000 0.954 68 D HN 0.503 nan 8.370 nan 0.000 0.455 69 S N 0.170 115.343 115.700 -0.879 0.000 2.419 69 S HA -0.076 4.394 4.470 -0.001 0.000 0.233 69 S C 2.094 176.350 174.600 -0.575 0.000 1.016 69 S CA 1.091 58.792 58.200 -0.832 0.000 0.974 69 S CB -0.255 62.837 63.200 -0.179 0.000 0.786 69 S HN 0.236 nan 8.310 nan 0.000 0.492 70 A N 1.440 123.948 122.820 -0.521 0.000 1.969 70 A HA 0.114 4.433 4.320 -0.001 0.000 0.218 70 A C 2.339 179.428 177.584 -0.826 0.000 1.169 70 A CA 1.378 53.159 52.037 -0.426 0.000 0.635 70 A CB -1.000 17.878 19.000 -0.204 0.000 0.810 70 A HN 0.464 nan 8.150 nan 0.000 0.445 71 V N 0.911 120.025 119.914 -1.334 0.000 2.287 71 V HA -0.238 3.882 4.120 -0.001 0.000 0.248 71 V C 2.691 178.161 176.094 -1.040 0.000 1.053 71 V CA 2.382 63.537 62.300 -1.908 0.000 1.027 71 V CB -0.876 29.755 31.823 -1.987 0.000 0.646 71 V HN 0.782 nan 8.190 nan 0.000 0.447 72 S N -1.389 113.947 115.700 -0.607 0.000 2.575 72 S HA 0.136 4.606 4.470 -0.001 0.000 0.215 72 S C 0.574 175.101 174.600 -0.121 0.000 0.966 72 S CA -0.293 57.765 58.200 -0.238 0.000 0.911 72 S CB -0.399 62.781 63.200 -0.033 0.000 0.780 72 S HN 0.589 nan 8.310 nan 0.000 0.514 73 K N 2.767 123.076 120.400 -0.152 0.000 2.368 73 K HA 0.288 4.607 4.320 -0.001 0.000 0.282 73 K C -2.820 173.782 176.600 0.004 0.000 1.035 73 K CA -1.891 54.375 56.287 -0.034 0.000 0.973 73 K CB 0.066 32.549 32.500 -0.029 0.000 0.957 73 K HN 0.125 nan 8.250 nan 0.000 0.474 74 P HA -0.068 nan 4.420 nan 0.000 0.265 74 P C 0.623 177.941 177.300 0.030 0.000 1.193 74 P CA 0.735 63.862 63.100 0.046 0.000 0.765 74 P CB 0.609 32.364 31.700 0.092 0.000 0.823 75 G N 2.101 110.908 108.800 0.012 0.000 2.175 75 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.244 75 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.244 75 G C 0.072 174.951 174.900 -0.035 0.000 0.982 75 G CA -0.460 44.629 45.100 -0.018 0.000 0.641 75 G HN 0.556 nan 8.290 nan 0.000 0.527 76 F N 4.517 124.363 119.950 -0.173 0.000 2.602 76 F HA 0.477 5.004 4.527 -0.001 0.000 0.385 76 F C -0.968 174.662 175.800 -0.283 0.000 1.063 76 F CA -1.493 56.362 58.000 -0.242 0.000 1.233 76 F CB 0.498 39.309 39.000 -0.316 0.000 1.067 76 F HN 0.084 nan 8.300 nan 0.000 0.564 77 P HA 0.186 nan 4.420 nan 0.000 0.279 77 P C -0.535 176.127 177.300 -1.063 0.000 1.239 77 P CA -0.329 62.312 63.100 -0.765 0.000 0.789 77 P CB 1.179 32.548 31.700 -0.552 0.000 0.933 78 T N -2.843 111.300 114.554 -0.685 0.000 3.393 78 T HA 0.142 4.492 4.350 -0.001 0.000 0.298 78 T C 0.408 174.964 174.700 -0.240 0.000 1.004 78 T CA -0.421 61.211 62.100 -0.780 0.000 0.956 78 T CB -0.694 67.720 68.868 -0.756 0.000 1.182 78 T HN 0.285 nan 8.240 nan 0.000 0.497 79 S N 1.318 116.915 115.700 -0.171 0.000 2.546 79 S HA 0.418 4.887 4.470 -0.001 0.000 0.290 79 S C 1.724 176.349 174.600 0.042 0.000 1.262 79 S CA 1.342 59.505 58.200 -0.062 0.000 1.083 79 S CB -0.685 62.465 63.200 -0.084 0.000 0.859 79 S HN 1.458 nan 8.310 nan 0.000 0.495 80 G N 4.174 112.976 108.800 0.003 0.000 2.176 80 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.253 80 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.253 80 G C -0.081 174.707 174.900 -0.187 0.000 0.979 80 G CA -0.013 45.033 45.100 -0.090 0.000 0.641 80 G HN 0.625 nan 8.290 nan 0.000 0.530 81 W N 0.361 121.497 121.300 -0.273 0.000 2.150 81 W HA 0.644 5.304 4.660 -0.001 0.000 0.341 81 W C 0.493 176.852 176.519 -0.267 0.000 1.276 81 W CA -0.441 56.775 57.345 -0.215 0.000 1.238 81 W CB 0.112 29.557 29.460 -0.026 0.000 1.128 81 W HN 0.135 nan 8.180 nan 0.000 0.581 82 Y N 3.235 123.689 120.300 0.258 0.000 2.350 82 Y HA 0.274 4.823 4.550 -0.001 0.000 0.340 82 Y C -1.723 174.285 175.900 0.180 0.000 1.006 82 Y CA -2.824 55.381 58.100 0.175 0.000 1.166 82 Y CB 0.007 38.547 38.460 0.134 0.000 1.168 82 Y HN 0.012 nan 8.280 nan 0.000 0.502 83 P HA 0.172 nan 4.420 nan 0.000 0.282 83 P C -0.930 176.488 177.300 0.196 0.000 1.262 83 P CA -0.216 63.010 63.100 0.210 0.000 0.773 83 P CB 1.057 32.845 31.700 0.147 0.000 0.879 84 V N 0.392 120.431 119.914 0.208 0.000 3.007 84 V HA 0.639 4.758 4.120 -0.001 0.000 0.311 84 V C -0.133 176.103 176.094 0.238 0.000 1.120 84 V CA -0.785 61.632 62.300 0.194 0.000 0.980 84 V CB 1.957 33.880 31.823 0.167 0.000 1.033 84 V HN 0.349 nan 8.190 nan 0.000 0.429 85 S N 1.784 117.609 115.700 0.208 0.000 2.608 85 S HA 0.392 4.862 4.470 -0.001 0.000 0.261 85 S C 0.488 175.274 174.600 0.311 0.000 1.314 85 S CA 0.156 58.486 58.200 0.216 0.000 0.992 85 S CB 1.175 64.481 63.200 0.176 0.000 0.935 85 S HN 1.301 nan 8.310 nan 0.000 0.564 86 S N 0.342 116.220 115.700 0.297 0.000 2.566 86 S HA 0.107 4.576 4.470 -0.001 0.000 0.280 86 S C 0.515 175.291 174.600 0.292 0.000 1.343 86 S CA 0.046 58.460 58.200 0.356 0.000 1.036 86 S CB -0.284 63.074 63.200 0.263 0.000 0.866 86 S HN 0.692 nan 8.310 nan 0.000 0.526 87 R N 0.435 121.085 120.500 0.249 0.000 3.774 87 R HA -0.110 4.229 4.340 -0.001 0.000 0.320 87 R C -0.695 175.724 176.300 0.198 0.000 1.175 87 R CA 0.774 56.986 56.100 0.186 0.000 0.849 87 R CB -2.833 27.591 30.300 0.207 0.000 1.365 87 R HN 0.500 nan 8.270 nan 0.000 0.502 88 S N 0.922 116.752 115.700 0.216 0.000 2.462 88 S HA 0.340 4.809 4.470 -0.001 0.000 0.294 88 S C 0.764 175.481 174.600 0.195 0.000 1.144 88 S CA -0.483 57.841 58.200 0.207 0.000 1.088 88 S CB 1.868 65.194 63.200 0.210 0.000 1.009 88 S HN 0.291 nan 8.310 nan 0.000 0.484 89 T N -0.160 114.477 114.554 0.138 0.000 2.813 89 T HA 0.224 4.574 4.350 -0.001 0.000 0.297 89 T C 1.532 176.263 174.700 0.051 0.000 1.036 89 T CA -0.788 61.367 62.100 0.092 0.000 1.044 89 T CB 0.322 69.239 68.868 0.082 0.000 0.993 89 T HN 0.205 nan 8.240 nan 0.000 0.535 90 V N 1.072 120.951 119.914 -0.058 0.000 2.252 90 V HA -0.183 3.936 4.120 -0.001 0.000 0.249 90 V C 2.146 178.048 176.094 -0.319 0.000 1.056 90 V CA 2.141 64.264 62.300 -0.294 0.000 1.022 90 V CB -1.274 30.127 31.823 -0.703 0.000 0.641 90 V HN 0.934 nan 8.190 nan 0.000 0.445 91 Y N 1.231 121.229 120.300 -0.504 0.000 2.224 91 Y HA -0.154 4.396 4.550 -0.001 0.000 0.289 91 Y C 2.335 178.060 175.900 -0.291 0.000 1.146 91 Y CA 1.058 58.887 58.100 -0.452 0.000 1.182 91 Y CB -0.700 37.411 38.460 -0.581 0.000 0.983 91 Y HN 0.154 nan 8.280 nan 0.000 0.524 92 A N 0.052 122.740 122.820 -0.221 0.000 1.908 92 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 92 A C 2.536 180.013 177.584 -0.178 0.000 1.181 92 A CA 1.837 53.750 52.037 -0.206 0.000 0.627 92 A CB -1.666 17.337 19.000 0.005 0.000 0.818 92 A HN 0.560 nan 8.150 nan 0.000 0.445 93 G N -0.508 108.223 108.800 -0.114 0.000 2.432 93 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.219 93 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.219 93 G C 1.517 176.341 174.900 -0.127 0.000 1.135 93 G CA 1.003 46.062 45.100 -0.069 0.000 0.767 93 G HN 0.443 nan 8.290 nan 0.000 0.550 94 L N -0.218 120.868 121.223 -0.229 0.000 2.179 94 L HA 0.150 4.490 4.340 -0.001 0.000 0.208 94 L C 2.787 179.524 176.870 -0.221 0.000 1.096 94 L CA 0.158 54.836 54.840 -0.270 0.000 0.779 94 L CB -0.254 41.698 42.059 -0.178 0.000 0.922 94 L HN 0.162 nan 8.230 nan 0.000 0.443 95 L N -0.549 120.487 121.223 -0.312 0.000 2.046 95 L HA -0.249 4.091 4.340 -0.001 0.000 0.208 95 L C 2.648 179.417 176.870 -0.168 0.000 1.077 95 L CA 1.278 55.938 54.840 -0.299 0.000 0.747 95 L CB -0.440 41.330 42.059 -0.481 0.000 0.896 95 L HN 0.366 nan 8.230 nan 0.000 0.432 96 Q N 0.083 119.806 119.800 -0.129 0.000 2.181 96 Q HA -0.183 4.156 4.340 -0.001 0.000 0.205 96 Q C 1.451 177.442 176.000 -0.016 0.000 0.980 96 Q CA 1.235 57.008 55.803 -0.050 0.000 0.862 96 Q CB 0.144 28.876 28.738 -0.009 0.000 0.905 96 Q HN 0.499 nan 8.270 nan 0.000 0.429 97 N N -0.765 117.927 118.700 -0.013 0.000 2.322 97 N HA 0.040 4.780 4.740 -0.001 0.000 0.194 97 N C 0.142 175.650 175.510 -0.002 0.000 1.126 97 N CA 0.793 53.866 53.050 0.039 0.000 0.845 97 N CB 0.898 39.475 38.487 0.151 0.000 0.976 97 N HN 0.356 nan 8.380 nan 0.000 0.475 98 G N 1.989 110.760 108.800 -0.049 0.000 2.323 98 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.292 98 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.292 98 G C 0.823 175.664 174.900 -0.098 0.000 1.040 98 G CA 0.442 45.506 45.100 -0.059 0.000 0.942 98 G HN 0.344 nan 8.290 nan 0.000 0.506 99 K N -1.509 118.779 120.400 -0.186 0.000 2.361 99 K HA 0.218 4.537 4.320 -0.001 0.000 0.196 99 K C 0.034 176.252 176.600 -0.637 0.000 1.039 99 K CA 0.619 56.665 56.287 -0.401 0.000 1.001 99 K CB 0.158 32.332 32.500 -0.544 0.000 0.795 99 K HN 0.496 nan 8.250 nan 0.000 0.495 100 Y N -1.055 119.234 120.300 -0.018 0.000 2.588 100 Y HA 0.427 4.976 4.550 -0.001 0.000 0.343 100 Y C -0.021 175.886 175.900 0.012 0.000 1.065 100 Y CA -1.361 56.757 58.100 0.031 0.000 1.038 100 Y CB 1.271 39.792 38.460 0.103 0.000 1.297 100 Y HN -0.141 nan 8.280 nan 0.000 0.467 101 A N 0.193 123.154 122.820 0.236 0.000 2.310 101 A HA 0.251 4.571 4.320 -0.001 0.000 0.260 101 A C -0.438 177.243 177.584 0.162 0.000 1.112 101 A CA -0.226 51.909 52.037 0.163 0.000 0.804 101 A CB -0.098 19.009 19.000 0.178 0.000 1.081 101 A HN 0.739 nan 8.150 nan 0.000 0.499 102 D N 0.320 120.816 120.400 0.159 0.000 2.389 102 D HA 0.148 4.787 4.640 -0.001 0.000 0.263 102 D C -1.295 175.190 176.300 0.309 0.000 1.255 102 D CA -1.424 52.678 54.000 0.170 0.000 0.914 102 D CB 0.691 41.598 40.800 0.177 0.000 1.116 102 D HN 0.142 nan 8.370 nan 0.000 0.502 103 P HA -0.138 nan 4.420 nan 0.000 0.225 103 P C 1.097 178.903 177.300 0.843 0.000 1.148 103 P CA 0.549 63.985 63.100 0.560 0.000 0.779 103 P CB 0.032 32.076 31.700 0.574 0.000 0.780 104 F N -1.559 118.653 119.950 0.437 0.000 2.604 104 F HA 0.051 4.577 4.527 -0.001 0.000 0.298 104 F C 1.119 177.058 175.800 0.230 0.000 1.131 104 F CA -0.306 57.886 58.000 0.321 0.000 1.457 104 F CB -1.135 38.016 39.000 0.252 0.000 1.095 104 F HN -0.076 nan 8.300 nan 0.000 0.574 105 Y N -0.090 120.424 120.300 0.357 0.000 2.328 105 Y HA 0.469 5.019 4.550 -0.001 0.000 0.337 105 Y C 0.801 176.862 175.900 0.268 0.000 0.966 105 Y CA -0.430 57.789 58.100 0.198 0.000 1.136 105 Y CB 0.880 39.434 38.460 0.157 0.000 1.170 105 Y HN 0.034 nan 8.280 nan 0.000 0.470 106 S N 2.746 118.178 115.700 -0.448 0.000 3.762 106 S HA -0.307 4.162 4.470 -0.001 0.000 0.627 106 S C 0.937 175.600 174.600 0.105 0.000 2.389 106 S CA 2.118 60.108 58.200 -0.350 0.000 3.978 106 S CB -1.706 60.984 63.200 -0.850 0.000 0.234 106 S HN 1.360 nan 8.310 nan 0.000 0.960 107 T N -0.080 114.409 114.554 -0.108 0.000 3.223 107 T HA 0.356 4.706 4.350 -0.001 0.000 0.259 107 T C 1.116 175.771 174.700 -0.074 0.000 1.015 107 T CA 0.558 62.490 62.100 -0.279 0.000 0.908 107 T CB -0.338 68.276 68.868 -0.422 0.000 1.054 107 T HN 0.454 nan 8.240 nan 0.000 0.567 108 N N 1.957 120.715 118.700 0.096 0.000 2.096 108 N HA -0.158 4.582 4.740 -0.001 0.000 0.195 108 N C 1.540 177.146 175.510 0.160 0.000 1.017 108 N CA 1.580 54.728 53.050 0.163 0.000 0.870 108 N CB -0.378 38.267 38.487 0.264 0.000 1.024 108 N HN 0.490 nan 8.380 nan 0.000 0.434 109 M N 0.867 120.624 119.600 0.261 0.000 2.279 109 M HA -0.175 4.304 4.480 -0.001 0.000 0.264 109 M C 1.740 178.085 176.300 0.076 0.000 1.062 109 M CA 1.367 56.810 55.300 0.238 0.000 1.099 109 M CB 0.047 32.909 32.600 0.437 0.000 1.394 109 M HN 0.164 nan 8.290 nan 0.000 0.426 110 Q N -0.129 119.671 119.800 -0.001 0.000 2.167 110 Q HA -0.118 4.222 4.340 -0.001 0.000 0.202 110 Q C 0.976 176.941 176.000 -0.059 0.000 0.970 110 Q CA 1.043 56.802 55.803 -0.073 0.000 0.855 110 Q CB -0.218 28.391 28.738 -0.216 0.000 0.911 110 Q HN 0.572 nan 8.270 nan 0.000 0.438 111 N N 0.278 118.957 118.700 -0.036 0.000 2.515 111 N HA -0.004 4.735 4.740 -0.001 0.000 0.191 111 N C -0.455 175.033 175.510 -0.036 0.000 1.182 111 N CA 0.289 53.332 53.050 -0.011 0.000 0.879 111 N CB 0.282 38.790 38.487 0.036 0.000 0.984 111 N HN -0.010 nan 8.380 nan 0.000 0.453 112 V N 2.700 122.541 119.914 -0.123 0.000 2.385 112 V HA 0.215 4.335 4.120 -0.001 0.000 0.269 112 V C -2.042 173.947 176.094 -0.176 0.000 1.043 112 V CA -1.687 60.436 62.300 -0.295 0.000 0.906 112 V CB 0.993 32.536 31.823 -0.467 0.000 0.995 112 V HN -0.065 nan 8.190 nan 0.000 0.467 113 P HA 0.189 nan 4.420 nan 0.000 0.265 113 P C 0.432 177.630 177.300 -0.171 0.000 1.222 113 P CA 0.060 63.097 63.100 -0.105 0.000 0.767 113 P CB 0.988 32.651 31.700 -0.063 0.000 0.801 114 A N 4.040 126.806 122.820 -0.089 0.000 2.178 114 A HA 0.197 4.516 4.320 -0.001 0.000 0.211 114 A C 2.021 179.554 177.584 -0.085 0.000 1.157 114 A CA 1.015 53.051 52.037 -0.001 0.000 0.780 114 A CB -0.775 18.272 19.000 0.077 0.000 0.828 114 A HN 0.476 nan 8.150 nan 0.000 0.476 115 A N 1.159 123.912 122.820 -0.112 0.000 1.917 115 A HA -0.281 4.038 4.320 -0.001 0.000 0.219 115 A C 2.120 179.631 177.584 -0.122 0.000 1.182 115 A CA 1.794 53.784 52.037 -0.078 0.000 0.633 115 A CB -0.806 18.160 19.000 -0.057 0.000 0.819 115 A HN 0.771 nan 8.150 nan 0.000 0.448 116 Q N -1.680 117.953 119.800 -0.277 0.000 2.449 116 Q HA -0.137 4.202 4.340 -0.001 0.000 0.214 116 Q C 0.609 176.535 176.000 -0.124 0.000 0.986 116 Q CA 1.515 57.164 55.803 -0.256 0.000 0.893 116 Q CB -0.532 28.001 28.738 -0.341 0.000 0.940 116 Q HN 0.624 nan 8.270 nan 0.000 0.477 117 F N 0.129 120.191 119.950 0.186 0.000 2.641 117 F HA 0.342 4.868 4.527 -0.001 0.000 0.302 117 F C 1.034 176.908 175.800 0.122 0.000 1.098 117 F CA -0.549 57.547 58.000 0.160 0.000 1.318 117 F CB 0.644 39.638 39.000 -0.010 0.000 1.035 117 F HN -0.057 nan 8.300 nan 0.000 0.551 118 S N -0.047 115.770 115.700 0.194 0.000 2.577 118 S HA 0.222 4.692 4.470 -0.001 0.000 0.219 118 S C 0.522 175.195 174.600 0.122 0.000 0.962 118 S CA -0.117 58.165 58.200 0.137 0.000 0.921 118 S CB -0.251 62.997 63.200 0.080 0.000 0.789 118 S HN 0.116 nan 8.310 nan 0.000 0.497 119 V N -1.844 118.161 119.914 0.151 0.000 3.113 119 V HA 0.722 4.841 4.120 -0.001 0.000 0.316 119 V C -3.246 172.916 176.094 0.114 0.000 1.125 119 V CA -3.155 59.196 62.300 0.085 0.000 1.026 119 V CB 1.017 32.842 31.823 0.004 0.000 1.080 119 V HN -0.220 nan 8.190 nan 0.000 0.444 120 P HA 0.297 nan 4.420 nan 0.000 0.274 120 P C -1.558 175.707 177.300 -0.059 0.000 1.237 120 P CA 0.192 63.199 63.100 -0.155 0.000 0.793 120 P CB 0.339 31.664 31.700 -0.625 0.000 0.977 121 W N 0.985 122.205 121.300 -0.132 0.000 2.702 121 W HA 0.396 5.056 4.660 -0.001 0.000 0.331 121 W C -0.968 175.557 176.519 0.010 0.000 1.049 121 W CA 0.281 57.622 57.345 -0.007 0.000 1.230 121 W CB 0.837 30.374 29.460 0.128 0.000 1.408 121 W HN 0.383 nan 8.180 nan 0.000 0.492 122 W N 2.601 124.018 121.300 0.196 0.000 2.315 122 W HA 0.396 5.056 4.660 -0.001 0.000 0.316 122 W C -0.702 176.089 176.519 0.454 0.000 1.211 122 W CA -0.479 57.062 57.345 0.326 0.000 1.201 122 W CB 0.435 30.095 29.460 0.334 0.000 1.184 122 W HN 0.147 nan 8.180 nan 0.000 0.544 123 Y N 3.181 123.819 120.300 0.565 0.000 2.334 123 Y HA 0.443 4.992 4.550 -0.001 0.000 0.336 123 Y C 0.385 176.655 175.900 0.617 0.000 0.960 123 Y CA -1.062 57.298 58.100 0.433 0.000 1.164 123 Y CB 1.195 39.632 38.460 -0.038 0.000 1.155 123 Y HN 0.231 nan 8.280 nan 0.000 0.478 124 R N 2.198 123.136 120.500 0.730 0.000 2.628 124 R HA 0.671 5.011 4.340 -0.001 0.000 0.288 124 R C -1.549 175.016 176.300 0.441 0.000 0.980 124 R CA -0.366 56.048 56.100 0.523 0.000 0.891 124 R CB 2.285 32.745 30.300 0.267 0.000 1.188 124 R HN 0.685 nan 8.270 nan 0.000 0.450 125 T N 1.347 116.081 114.554 0.301 0.000 2.889 125 T HA 0.264 4.614 4.350 -0.001 0.000 0.315 125 T C -1.496 173.249 174.700 0.074 0.000 1.291 125 T CA -0.705 61.477 62.100 0.137 0.000 1.028 125 T CB 1.477 70.345 68.868 -0.001 0.000 1.235 125 T HN 0.527 nan 8.240 nan 0.000 0.491 126 D N 1.746 122.164 120.400 0.031 0.000 2.329 126 D HA 0.547 5.187 4.640 -0.001 0.000 0.246 126 D C -0.206 176.102 176.300 0.013 0.000 1.111 126 D CA 0.007 54.018 54.000 0.017 0.000 0.941 126 D CB 1.284 42.090 40.800 0.009 0.000 1.169 126 D HN 0.544 nan 8.370 nan 0.000 0.441 127 L N -0.186 121.042 121.223 0.009 0.000 2.470 127 L HA 0.450 4.790 4.340 -0.001 0.000 0.268 127 L C -0.908 175.963 176.870 0.002 0.000 0.964 127 L CA -0.657 54.189 54.840 0.009 0.000 0.839 127 L CB 1.769 43.840 42.059 0.020 0.000 1.276 127 L HN 0.092 nan 8.230 nan 0.000 0.403 128 N N 2.636 121.343 118.700 0.011 0.000 2.499 128 N HA 0.528 5.267 4.740 -0.001 0.000 0.281 128 N C -1.404 174.114 175.510 0.015 0.000 1.098 128 N CA -0.232 52.826 53.050 0.014 0.000 0.979 128 N CB 1.853 40.352 38.487 0.020 0.000 1.121 128 N HN 0.614 nan 8.380 nan 0.000 0.466 129 V N 3.483 123.404 119.914 0.013 0.000 2.380 129 V HA 0.121 4.240 4.120 -0.001 0.000 0.286 129 V C 0.257 176.369 176.094 0.030 0.000 1.015 129 V CA -0.661 61.649 62.300 0.017 0.000 0.834 129 V CB 1.488 33.311 31.823 -0.001 0.000 1.009 129 V HN 0.624 nan 8.190 nan 0.000 0.428 130 D N 2.540 122.958 120.400 0.031 0.000 2.269 130 D HA 0.009 4.648 4.640 -0.001 0.000 0.208 130 D C 0.476 176.796 176.300 0.034 0.000 0.963 130 D CA 1.284 55.304 54.000 0.033 0.000 0.864 130 D CB 0.384 41.202 40.800 0.030 0.000 0.936 130 D HN 0.786 nan 8.370 nan 0.000 0.505 131 D N -1.843 118.577 120.400 0.034 0.000 2.966 131 D HA 0.061 4.701 4.640 -0.001 0.000 0.222 131 D C -0.256 176.064 176.300 0.033 0.000 1.292 131 D CA -0.549 53.471 54.000 0.034 0.000 0.907 131 D CB 1.169 41.989 40.800 0.033 0.000 1.621 131 D HN -0.168 nan 8.370 nan 0.000 0.557 132 T N 0.453 115.027 114.554 0.033 0.000 3.287 132 T HA 0.193 4.543 4.350 -0.001 0.000 0.253 132 T C 1.197 175.914 174.700 0.028 0.000 0.975 132 T CA -0.038 62.079 62.100 0.028 0.000 0.912 132 T CB 0.121 69.007 68.868 0.032 0.000 1.071 132 T HN 0.160 nan 8.240 nan 0.000 0.578 133 S N 1.103 116.822 115.700 0.032 0.000 2.377 133 S HA 0.119 4.588 4.470 -0.001 0.000 0.223 133 S C 1.157 175.781 174.600 0.040 0.000 1.030 133 S CA 0.138 58.358 58.200 0.034 0.000 0.970 133 S CB -0.189 63.032 63.200 0.034 0.000 0.830 133 S HN 0.640 nan 8.310 nan 0.000 0.473 134 S N 2.073 117.801 115.700 0.046 0.000 2.565 134 S HA 0.309 4.779 4.470 -0.001 0.000 0.276 134 S C 0.120 174.751 174.600 0.051 0.000 1.326 134 S CA -0.452 57.786 58.200 0.063 0.000 1.045 134 S CB 0.612 63.858 63.200 0.076 0.000 0.918 134 S HN 0.374 nan 8.310 nan 0.000 0.505 135 R N 1.326 121.869 120.500 0.072 0.000 2.784 135 R HA 0.231 4.571 4.340 -0.001 0.000 0.266 135 R C -0.266 176.025 176.300 -0.015 0.000 1.044 135 R CA 0.256 56.359 56.100 0.005 0.000 1.151 135 R CB 0.145 30.496 30.300 0.085 0.000 1.037 135 R HN 0.486 nan 8.270 nan 0.000 0.478 136 T N 2.053 116.451 114.554 -0.260 0.000 2.881 136 T HA 0.458 4.808 4.350 -0.001 0.000 0.290 136 T C -1.245 173.238 174.700 -0.363 0.000 1.000 136 T CA -0.642 61.370 62.100 -0.148 0.000 0.978 136 T CB 0.743 69.571 68.868 -0.067 0.000 0.997 136 T HN 0.355 nan 8.240 nan 0.000 0.443 137 Y N 1.264 121.618 120.300 0.091 0.000 2.477 137 Y HA 0.581 5.130 4.550 -0.001 0.000 0.347 137 Y C -0.378 175.621 175.900 0.165 0.000 0.981 137 Y CA -1.339 56.833 58.100 0.120 0.000 1.033 137 Y CB 1.557 40.085 38.460 0.113 0.000 1.245 137 Y HN 0.395 nan 8.280 nan 0.000 0.455 138 L N 3.441 124.885 121.223 0.368 0.000 2.265 138 L HA 0.401 4.740 4.340 -0.001 0.000 0.289 138 L C -0.893 176.318 176.870 0.567 0.000 1.033 138 L CA -0.342 54.766 54.840 0.448 0.000 0.814 138 L CB 0.884 43.206 42.059 0.439 0.000 1.203 138 L HN 0.583 nan 8.230 nan 0.000 0.423 139 D N 4.809 125.512 120.400 0.505 0.000 2.481 139 D HA 0.589 5.229 4.640 -0.001 0.000 0.246 139 D C -1.017 175.549 176.300 0.444 0.000 1.109 139 D CA -0.123 54.096 54.000 0.365 0.000 0.845 139 D CB 1.056 41.981 40.800 0.208 0.000 1.160 139 D HN 0.241 nan 8.370 nan 0.000 0.534 140 F N 0.646 120.711 119.950 0.191 0.000 2.741 140 F HA 0.741 5.267 4.527 -0.001 0.000 0.313 140 F C -0.829 175.068 175.800 0.161 0.000 1.153 140 F CA -0.937 57.155 58.000 0.154 0.000 0.931 140 F CB 0.834 39.919 39.000 0.141 0.000 1.335 140 F HN 0.220 nan 8.300 nan 0.000 0.460 141 S N -1.271 114.560 115.700 0.218 0.000 2.790 141 S HA 0.752 5.221 4.470 -0.001 0.000 0.292 141 S C 0.208 174.898 174.600 0.151 0.000 1.197 141 S CA -0.555 57.732 58.200 0.145 0.000 0.851 141 S CB 0.838 64.080 63.200 0.070 0.000 1.217 141 S HN 2.575 nan 8.310 nan 0.000 0.526 142 G N -0.452 108.380 108.800 0.054 0.000 2.160 142 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.244 142 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.244 142 G C -0.182 174.681 174.900 -0.062 0.000 1.022 142 G CA -0.049 45.029 45.100 -0.036 0.000 0.741 142 G HN 1.292 nan 8.290 nan 0.000 0.508 143 V N 1.910 121.812 119.914 -0.019 0.000 2.385 143 V HA 0.517 4.636 4.120 -0.001 0.000 0.269 143 V C 0.800 176.849 176.094 -0.075 0.000 1.043 143 V CA -0.354 61.906 62.300 -0.066 0.000 0.906 143 V CB 1.246 33.083 31.823 0.023 0.000 0.995 143 V HN 0.354 nan 8.190 nan 0.000 0.467 144 L N 4.779 125.942 121.223 -0.100 0.000 2.298 144 L HA 0.468 4.808 4.340 -0.001 0.000 0.284 144 L C 0.959 177.806 176.870 -0.038 0.000 1.013 144 L CA -0.239 54.557 54.840 -0.074 0.000 0.824 144 L CB 1.548 43.562 42.059 -0.074 0.000 1.221 144 L HN 0.729 nan 8.230 nan 0.000 0.418 145 S N 1.751 117.447 115.700 -0.006 0.000 2.497 145 S HA 0.171 4.640 4.470 -0.001 0.000 0.218 145 S C 0.325 174.902 174.600 -0.038 0.000 1.023 145 S CA -0.164 58.012 58.200 -0.039 0.000 0.913 145 S CB 0.273 63.443 63.200 -0.050 0.000 0.800 145 S HN 0.791 nan 8.310 nan 0.000 0.505 146 K N -0.672 119.736 120.400 0.014 0.000 2.685 146 K HA 0.737 5.057 4.320 -0.001 0.000 0.290 146 K C -1.783 174.903 176.600 0.143 0.000 1.018 146 K CA -0.920 55.369 56.287 0.003 0.000 0.860 146 K CB 0.909 33.339 32.500 -0.117 0.000 1.498 146 K HN 0.272 nan 8.250 nan 0.000 0.390 147 A N 0.983 123.889 122.820 0.143 0.000 2.604 147 A HA 0.524 4.843 4.320 -0.001 0.000 0.295 147 A C -1.922 175.800 177.584 0.230 0.000 1.067 147 A CA -0.880 51.328 52.037 0.285 0.000 0.683 147 A CB 1.468 20.625 19.000 0.261 0.000 1.281 147 A HN 0.664 nan 8.150 nan 0.000 0.407 148 D N 0.907 121.482 120.400 0.292 0.000 2.256 148 D HA 0.480 5.120 4.640 -0.001 0.000 0.250 148 D C -0.444 175.921 176.300 0.108 0.000 1.093 148 D CA 0.172 54.264 54.000 0.154 0.000 0.882 148 D CB 1.824 42.779 40.800 0.258 0.000 1.185 148 D HN 0.220 nan 8.370 nan 0.000 0.437 149 V N 2.407 122.271 119.914 -0.084 0.000 2.459 149 V HA 0.424 4.544 4.120 -0.001 0.000 0.295 149 V C -0.757 175.188 176.094 -0.248 0.000 1.029 149 V CA -0.800 61.376 62.300 -0.207 0.000 0.874 149 V CB 1.357 33.044 31.823 -0.228 0.000 0.985 149 V HN 0.469 nan 8.190 nan 0.000 0.438 150 W N 2.772 123.980 121.300 -0.153 0.000 2.883 150 W HA 0.773 5.432 4.660 -0.001 0.000 0.335 150 W C -0.960 175.500 176.519 -0.099 0.000 1.083 150 W CA -0.647 56.667 57.345 -0.052 0.000 1.233 150 W CB 2.276 31.774 29.460 0.062 0.000 1.412 150 W HN 0.312 nan 8.180 nan 0.000 0.490 151 V N 4.136 124.146 119.914 0.160 0.000 2.623 151 V HA 0.252 4.372 4.120 -0.001 0.000 0.304 151 V C -0.099 176.048 176.094 0.088 0.000 1.054 151 V CA -1.270 61.072 62.300 0.069 0.000 0.882 151 V CB 1.662 33.486 31.823 0.001 0.000 1.002 151 V HN 0.715 nan 8.190 nan 0.000 0.424 152 N N 3.615 122.350 118.700 0.057 0.000 2.708 152 N HA -0.228 4.511 4.740 -0.001 0.000 0.249 152 N C 1.161 176.736 175.510 0.107 0.000 1.097 152 N CA 1.801 54.894 53.050 0.071 0.000 0.710 152 N CB -0.968 37.561 38.487 0.070 0.000 1.032 152 N HN 1.643 nan 8.380 nan 0.000 0.551 153 G N -2.834 106.049 108.800 0.139 0.000 2.175 153 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.244 153 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.244 153 G C 0.065 175.185 174.900 0.368 0.000 0.982 153 G CA 0.572 45.785 45.100 0.187 0.000 0.641 153 G HN 0.520 nan 8.290 nan 0.000 0.527 154 T N 0.629 115.373 114.554 0.317 0.000 2.807 154 T HA 0.514 4.864 4.350 -0.001 0.000 0.279 154 T C 0.009 174.660 174.700 -0.080 0.000 0.993 154 T CA -0.541 61.652 62.100 0.155 0.000 0.970 154 T CB 2.097 70.993 68.868 0.046 0.000 0.950 154 T HN 0.308 nan 8.240 nan 0.000 0.441 155 K N 3.111 123.149 120.400 -0.602 0.000 2.315 155 K HA 0.196 4.515 4.320 -0.001 0.000 0.291 155 K C 1.301 177.609 176.600 -0.487 0.000 1.074 155 K CA -0.273 55.358 56.287 -1.093 0.000 0.936 155 K CB 0.196 31.875 32.500 -1.368 0.000 1.049 155 K HN 0.539 nan 8.250 nan 0.000 0.471 156 V N 1.172 120.877 119.914 -0.348 0.000 3.235 156 V HA 0.327 4.446 4.120 -0.001 0.000 0.259 156 V C 0.354 176.364 176.094 -0.140 0.000 1.133 156 V CA 0.654 62.848 62.300 -0.176 0.000 1.128 156 V CB -0.247 31.520 31.823 -0.094 0.000 0.757 156 V HN 0.620 nan 8.190 nan 0.000 0.469 157 A N 0.129 122.835 122.820 -0.190 0.000 2.599 157 A HA 0.700 5.020 4.320 -0.001 0.000 0.294 157 A C -0.250 177.246 177.584 -0.145 0.000 1.055 157 A CA 0.118 52.086 52.037 -0.116 0.000 0.683 157 A CB 1.055 20.043 19.000 -0.021 0.000 1.278 157 A HN 0.710 nan 8.150 nan 0.000 0.412 158 T N -1.600 112.892 114.554 -0.103 0.000 2.949 158 T HA 0.522 4.872 4.350 -0.001 0.000 0.287 158 T C 0.802 175.457 174.700 -0.075 0.000 1.034 158 T CA -0.058 61.991 62.100 -0.085 0.000 1.018 158 T CB 1.355 70.170 68.868 -0.087 0.000 1.135 158 T HN 0.911 nan 8.240 nan 0.000 0.532 159 K N 0.090 120.428 120.400 -0.104 0.000 2.519 159 K HA -0.052 4.268 4.320 -0.001 0.000 0.196 159 K C 0.850 177.340 176.600 -0.182 0.000 1.041 159 K CA 1.077 57.253 56.287 -0.185 0.000 0.954 159 K CB -0.160 32.043 32.500 -0.494 0.000 0.774 159 K HN 0.433 nan 8.250 nan 0.000 0.480 160 D N 1.197 121.511 120.400 -0.143 0.000 2.194 160 D HA -0.136 4.503 4.640 -0.001 0.000 0.204 160 D C 1.904 178.157 176.300 -0.079 0.000 0.964 160 D CA 1.049 54.980 54.000 -0.116 0.000 0.846 160 D CB 0.192 40.936 40.800 -0.094 0.000 0.962 160 D HN 0.500 nan 8.370 nan 0.000 0.490 161 Q N 0.280 120.043 119.800 -0.062 0.000 2.200 161 Q HA 0.006 4.346 4.340 -0.001 0.000 0.197 161 Q C 0.331 176.320 176.000 -0.018 0.000 0.953 161 Q CA 0.437 56.229 55.803 -0.018 0.000 0.851 161 Q CB 0.654 29.388 28.738 -0.007 0.000 0.938 161 Q HN -0.079 nan 8.270 nan 0.000 0.488 162 V N 3.292 123.125 119.914 -0.135 0.000 2.223 162 V HA 0.209 4.328 4.120 -0.001 0.000 0.249 162 V C -0.478 175.533 176.094 -0.139 0.000 1.233 162 V CA -0.257 61.833 62.300 -0.350 0.000 1.131 162 V CB -0.078 31.623 31.823 -0.203 0.000 1.298 162 V HN 0.263 nan 8.190 nan 0.000 0.498 163 N N 3.245 121.925 118.700 -0.034 0.000 2.478 163 N HA 0.571 5.310 4.740 -0.001 0.000 0.291 163 N C -0.449 175.055 175.510 -0.011 0.000 1.090 163 N CA 0.579 53.602 53.050 -0.045 0.000 0.911 163 N CB 2.225 40.654 38.487 -0.096 0.000 1.546 163 N HN 0.743 nan 8.380 nan 0.000 0.500 164 G N 1.716 110.489 108.800 -0.046 0.000 3.225 164 G HA2 0.130 4.090 3.960 -0.001 0.000 0.686 164 G HA3 0.130 4.090 3.960 -0.001 0.000 0.686 164 G C 0.760 175.668 174.900 0.013 0.000 1.105 164 G CA -0.061 45.011 45.100 -0.047 0.000 0.831 164 G HN 0.848 nan 8.290 nan 0.000 0.578 165 A N 1.857 124.637 122.820 -0.068 0.000 1.986 165 A HA -0.016 4.304 4.320 -0.001 0.000 0.220 165 A C 1.792 179.243 177.584 -0.222 0.000 1.171 165 A CA 2.559 54.467 52.037 -0.214 0.000 0.640 165 A CB -0.339 18.393 19.000 -0.446 0.000 0.811 165 A HN 1.198 nan 8.150 nan 0.000 0.451 166 Y N 0.408 120.798 120.300 0.150 0.000 2.462 166 Y HA 0.098 4.647 4.550 -0.001 0.000 0.261 166 Y C 1.374 177.329 175.900 0.091 0.000 1.146 166 Y CA 0.405 58.597 58.100 0.153 0.000 1.283 166 Y CB -0.006 38.607 38.460 0.255 0.000 1.090 166 Y HN 0.300 nan 8.280 nan 0.000 0.526 167 T N -0.401 114.259 114.554 0.177 0.000 2.884 167 T HA 0.246 4.596 4.350 -0.001 0.000 0.298 167 T C -0.113 174.454 174.700 -0.221 0.000 0.998 167 T CA -0.866 61.236 62.100 0.003 0.000 1.124 167 T CB 1.630 70.496 68.868 -0.004 0.000 0.931 167 T HN 0.191 nan 8.240 nan 0.000 0.531 168 R N 1.951 122.239 120.500 -0.353 0.000 2.457 168 R HA 0.346 4.686 4.340 -0.001 0.000 0.284 168 R C -0.530 175.239 176.300 -0.885 0.000 1.024 168 R CA -0.673 55.170 56.100 -0.428 0.000 1.025 168 R CB 0.524 30.723 30.300 -0.169 0.000 1.063 168 R HN 0.815 nan 8.270 nan 0.000 0.493 169 H N 1.593 120.421 119.070 -0.404 0.000 2.806 169 H HA 0.202 4.758 4.556 -0.001 0.000 0.367 169 H C -1.313 173.860 175.328 -0.258 0.000 1.136 169 H CA -0.846 54.965 56.048 -0.395 0.000 1.178 169 H CB 2.309 31.691 29.762 -0.634 0.000 1.718 169 H HN 0.574 nan 8.280 nan 0.000 0.540 170 D N 3.354 123.781 120.400 0.044 0.000 2.346 170 D HA 0.225 4.864 4.640 -0.001 0.000 0.255 170 D C -0.997 175.448 176.300 0.241 0.000 1.276 170 D CA -0.381 53.702 54.000 0.138 0.000 0.941 170 D CB 0.235 41.074 40.800 0.064 0.000 1.199 170 D HN 0.356 nan 8.370 nan 0.000 0.537 171 L N 2.239 123.653 121.223 0.318 0.000 2.272 171 L HA 0.389 4.729 4.340 -0.001 0.000 0.289 171 L C 0.256 177.262 176.870 0.226 0.000 1.032 171 L CA -0.924 54.073 54.840 0.263 0.000 0.810 171 L CB 1.393 43.618 42.059 0.276 0.000 1.205 171 L HN 0.283 nan 8.230 nan 0.000 0.422 172 D N 4.798 125.277 120.400 0.132 0.000 2.352 172 D HA 0.162 4.802 4.640 -0.001 0.000 0.245 172 D C 0.572 176.783 176.300 -0.148 0.000 1.224 172 D CA -0.173 53.741 54.000 -0.144 0.000 0.879 172 D CB 0.989 41.750 40.800 -0.064 0.000 1.057 172 D HN 0.532 nan 8.370 nan 0.000 0.491 173 I N 0.714 121.164 120.570 -0.200 0.000 3.889 173 I HA 0.160 4.330 4.170 -0.001 0.000 0.332 173 I C 1.030 177.067 176.117 -0.134 0.000 1.493 173 I CA -0.513 60.720 61.300 -0.112 0.000 1.158 173 I CB 0.316 38.285 38.000 -0.050 0.000 1.117 173 I HN -0.023 nan 8.210 nan 0.000 0.411 174 T N 1.393 115.832 114.554 -0.192 0.000 2.720 174 T HA -0.136 4.214 4.350 -0.001 0.000 0.268 174 T C 2.156 176.813 174.700 -0.072 0.000 1.037 174 T CA 1.887 63.900 62.100 -0.145 0.000 1.144 174 T CB -0.121 68.648 68.868 -0.166 0.000 0.864 174 T HN 0.629 nan 8.240 nan 0.000 0.444 175 A N 1.090 123.875 122.820 -0.058 0.000 1.972 175 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 175 A C 2.237 179.816 177.584 -0.008 0.000 1.169 175 A CA 1.444 53.466 52.037 -0.025 0.000 0.635 175 A CB -0.472 18.516 19.000 -0.020 0.000 0.810 175 A HN 0.434 nan 8.150 nan 0.000 0.446 176 Q N -0.996 118.792 119.800 -0.020 0.000 2.376 176 Q HA 0.216 4.556 4.340 -0.001 0.000 0.206 176 Q C 0.233 176.216 176.000 -0.028 0.000 0.921 176 Q CA 0.216 56.017 55.803 -0.003 0.000 0.911 176 Q CB 0.197 28.928 28.738 -0.011 0.000 1.032 176 Q HN 0.372 nan 8.270 nan 0.000 0.510 177 V N 3.061 122.935 119.914 -0.067 0.000 2.583 177 V HA 0.129 4.248 4.120 -0.001 0.000 0.287 177 V C 0.178 176.227 176.094 -0.076 0.000 1.051 177 V CA -0.326 61.890 62.300 -0.140 0.000 1.010 177 V CB 0.398 32.159 31.823 -0.103 0.000 0.988 177 V HN 0.398 nan 8.190 nan 0.000 0.478 178 H N 1.524 120.597 119.070 0.005 0.000 2.824 178 H HA 0.686 5.242 4.556 -0.001 0.000 0.345 178 H C 0.000 175.333 175.328 0.009 0.000 1.252 178 H CA -0.594 55.458 56.048 0.006 0.000 1.246 178 H CB 1.699 31.465 29.762 0.006 0.000 1.908 178 H HN 0.604 nan 8.280 nan 0.000 0.601 179 T N -0.030 114.655 114.554 0.218 0.000 2.834 179 T HA 0.465 4.815 4.350 -0.001 0.000 0.298 179 T C 1.086 175.894 174.700 0.180 0.000 0.966 179 T CA 0.825 63.006 62.100 0.135 0.000 1.141 179 T CB -0.450 nan 68.868 nan 0.000 0.905 179 T HN 1.042 nan 8.240 nan 0.000 0.535 180 G N 1.429 110.297 108.800 0.113 0.000 2.501 180 G HA2 0.021 3.981 3.960 -0.001 0.000 0.213 180 G HA3 0.021 3.981 3.960 -0.001 0.000 0.213 180 G C -0.283 174.665 174.900 0.081 0.000 1.158 180 G CA -0.254 44.906 45.100 0.099 0.000 1.079 180 G HN 1.285 nan 8.290 nan 0.000 0.586 181 V N 3.166 123.139 119.914 0.097 0.000 2.479 181 V HA 0.349 4.469 4.120 -0.001 0.000 0.281 181 V C 0.425 176.551 176.094 0.054 0.000 1.031 181 V CA 0.041 62.382 62.300 0.069 0.000 1.038 181 V CB 0.657 32.519 31.823 0.066 0.000 0.981 181 V HN 0.598 nan 8.190 nan 0.000 0.478 182 N N 2.825 121.499 118.700 -0.044 0.000 2.328 182 N HA 0.621 5.360 4.740 -0.001 0.000 0.299 182 N C -1.012 174.473 175.510 -0.042 0.000 1.179 182 N CA -0.554 52.417 53.050 -0.132 0.000 0.793 182 N CB 2.380 40.738 38.487 -0.214 0.000 1.366 182 N HN 0.600 nan 8.380 nan 0.000 0.493 183 S N 0.288 115.968 115.700 -0.034 0.000 2.549 183 S HA 0.584 5.054 4.470 -0.001 0.000 0.280 183 S C -0.745 173.863 174.600 0.012 0.000 1.109 183 S CA -0.648 57.552 58.200 -0.000 0.000 0.905 183 S CB 2.256 65.452 63.200 -0.006 0.000 1.081 183 S HN 0.252 nan 8.310 nan 0.000 0.477 184 V N 1.343 121.288 119.914 0.052 0.000 2.709 184 V HA 0.910 5.029 4.120 -0.001 0.000 0.308 184 V C -0.516 175.658 176.094 0.134 0.000 1.062 184 V CA -0.517 61.818 62.300 0.058 0.000 0.901 184 V CB 1.731 33.594 31.823 0.066 0.000 1.003 184 V HN 1.081 nan 8.190 nan 0.000 0.425 185 A N 4.004 126.901 122.820 0.128 0.000 2.422 185 A HA 0.911 5.231 4.320 -0.001 0.000 0.302 185 A C -1.430 176.325 177.584 0.284 0.000 1.041 185 A CA -0.394 51.843 52.037 0.334 0.000 0.708 185 A CB 1.190 20.363 19.000 0.288 0.000 1.257 185 A HN 0.611 nan 8.150 nan 0.000 0.414 186 F N 1.451 121.662 119.950 0.434 0.000 2.411 186 F HA 0.425 4.951 4.527 -0.001 0.000 0.352 186 F C 0.735 176.598 175.800 0.105 0.000 1.123 186 F CA -0.272 57.863 58.000 0.225 0.000 1.044 186 F CB 2.013 41.019 39.000 0.009 0.000 1.135 186 F HN 0.533 nan 8.300 nan 0.000 0.461 187 K N 4.049 124.373 120.400 -0.127 0.000 2.250 187 K HA 0.413 4.733 4.320 -0.001 0.000 0.285 187 K C -1.094 175.319 176.600 -0.312 0.000 1.097 187 K CA -0.269 55.548 56.287 -0.784 0.000 0.913 187 K CB 0.499 32.259 32.500 -1.233 0.000 1.179 187 K HN 0.458 nan 8.250 nan 0.000 0.462 188 V N 6.001 125.808 119.914 -0.178 0.000 2.406 188 V HA 0.187 4.307 4.120 -0.001 0.000 0.272 188 V C -0.317 175.743 176.094 -0.056 0.000 1.043 188 V CA -0.721 61.564 62.300 -0.025 0.000 0.915 188 V CB 0.136 31.933 31.823 -0.043 0.000 0.988 188 V HN 0.562 nan 8.190 nan 0.000 0.466 189 Y N 5.366 125.655 120.300 -0.018 0.000 2.316 189 Y HA 0.358 4.907 4.550 -0.001 0.000 0.324 189 Y C -1.786 174.130 175.900 0.028 0.000 1.267 189 Y CA -2.283 55.818 58.100 0.002 0.000 1.311 189 Y CB 0.658 39.104 38.460 -0.023 0.000 1.267 189 Y HN 0.458 nan 8.280 nan 0.000 0.516 190 P HA -0.073 nan 4.420 nan 0.000 0.268 190 P C -0.978 176.374 177.300 0.087 0.000 1.208 190 P CA 0.065 63.252 63.100 0.144 0.000 0.777 190 P CB 0.488 32.276 31.700 0.148 0.000 0.875 191 N N 1.455 120.185 118.700 0.050 0.000 2.408 191 N HA 0.262 5.001 4.740 -0.001 0.000 0.280 191 N C -1.488 174.022 175.510 0.002 0.000 1.002 191 N CA -0.297 52.758 53.050 0.008 0.000 0.907 191 N CB 0.442 38.924 38.487 -0.008 0.000 1.161 191 N HN 0.170 nan 8.380 nan 0.000 0.488 192 D N 4.111 124.496 120.400 -0.026 0.000 2.469 192 D HA 0.332 4.971 4.640 -0.001 0.000 0.251 192 D C -1.988 174.272 176.300 -0.066 0.000 1.173 192 D CA -2.090 51.890 54.000 -0.033 0.000 0.882 192 D CB 1.960 42.741 40.800 -0.031 0.000 1.129 192 D HN 0.350 nan 8.370 nan 0.000 0.549 193 P HA -0.081 nan 4.420 nan 0.000 0.222 193 P C 0.469 177.718 177.300 -0.084 0.000 1.147 193 P CA 0.864 63.918 63.100 -0.078 0.000 0.790 193 P CB 0.422 32.079 31.700 -0.072 0.000 0.780 194 N N -0.691 117.967 118.700 -0.069 0.000 2.446 194 N HA -0.012 4.727 4.740 -0.001 0.000 0.179 194 N C 2.077 177.524 175.510 -0.105 0.000 1.054 194 N CA 0.148 53.159 53.050 -0.066 0.000 0.905 194 N CB -0.068 38.395 38.487 -0.040 0.000 0.973 194 N HN 0.090 nan 8.380 nan 0.000 0.448 195 R N 0.332 120.756 120.500 -0.127 0.000 2.191 195 R HA 0.100 4.439 4.340 -0.001 0.000 0.196 195 R C -0.699 175.452 176.300 -0.248 0.000 0.991 195 R CA 0.417 56.421 56.100 -0.160 0.000 1.075 195 R CB 0.601 30.831 30.300 -0.115 0.000 1.040 195 R HN 0.092 nan 8.270 nan 0.000 0.526 196 D N 1.234 121.488 120.400 -0.242 0.000 2.163 196 D HA 0.161 4.801 4.640 -0.001 0.000 0.248 196 D C -0.447 175.596 176.300 -0.428 0.000 1.035 196 D CA -0.378 53.440 54.000 -0.303 0.000 0.872 196 D CB 2.070 42.752 40.800 -0.197 0.000 1.183 196 D HN 0.094 nan 8.370 nan 0.000 0.445 197 L N 2.117 122.977 121.223 -0.605 0.000 2.451 197 L HA 0.074 4.413 4.340 -0.001 0.000 0.272 197 L C 0.939 177.617 176.870 -0.319 0.000 1.258 197 L CA 0.331 54.590 54.840 -0.969 0.000 1.132 197 L CB -0.296 41.046 42.059 -1.196 0.000 1.361 197 L HN 0.275 nan 8.230 nan 0.000 0.438 198 S N 2.389 118.093 115.700 0.006 0.000 4.294 198 S HA 0.654 5.124 4.470 -0.001 0.000 0.254 198 S C -0.825 173.878 174.600 0.172 0.000 1.087 198 S CA -0.546 57.693 58.200 0.066 0.000 1.452 198 S CB 1.080 64.231 63.200 -0.083 0.000 1.502 198 S HN 0.371 nan 8.310 nan 0.000 0.698 199 M N 0.754 120.311 119.600 -0.072 0.000 2.378 199 M HA 0.611 5.090 4.480 -0.001 0.000 0.289 199 M C -0.469 175.606 176.300 -0.375 0.000 1.136 199 M CA -0.608 54.512 55.300 -0.300 0.000 0.917 199 M CB 2.210 34.582 32.600 -0.380 0.000 1.669 199 M HN 0.777 nan 8.290 nan 0.000 0.461 200 G N 0.485 108.935 108.800 -0.585 0.000 2.725 200 G HA2 0.623 4.582 3.960 -0.001 0.000 0.288 200 G HA3 0.623 4.582 3.960 -0.001 0.000 0.288 200 G C -1.687 172.785 174.900 -0.712 0.000 1.399 200 G CA -0.461 44.352 45.100 -0.477 0.000 0.859 200 G HN 0.926 nan 8.290 nan 0.000 0.479 201 W N 0.413 121.614 121.300 -0.165 0.000 3.132 201 W HA 0.415 5.074 4.660 -0.001 0.000 0.364 201 W C 1.429 177.696 176.519 -0.421 0.000 1.129 201 W CA -0.328 56.846 57.345 -0.285 0.000 1.815 201 W CB -0.400 28.936 29.460 -0.208 0.000 1.099 201 W HN 0.541 nan 8.180 nan 0.000 0.605 202 I N 0.961 121.393 120.570 -0.231 0.000 4.907 202 I HA -0.497 3.672 4.170 -0.001 0.000 0.038 202 I C 1.256 177.402 176.117 0.047 0.000 0.635 202 I CA 2.127 63.331 61.300 -0.159 0.000 0.208 202 I CB -0.843 36.942 38.000 -0.359 0.000 0.321 202 I HN 0.073 nan 8.210 nan 0.000 0.150 203 D N -1.086 119.452 120.400 0.230 0.000 2.650 203 D HA 0.111 4.751 4.640 -0.001 0.000 0.265 203 D C 0.748 177.417 176.300 0.615 0.000 1.339 203 D CA -0.326 53.922 54.000 0.413 0.000 0.816 203 D CB -0.282 40.846 40.800 0.546 0.000 1.091 203 D HN 0.537 nan 8.370 nan 0.000 0.483 204 W N 1.656 123.176 121.300 0.366 0.000 2.453 204 W HA 0.513 5.172 4.660 -0.001 0.000 0.289 204 W C 1.239 177.849 176.519 0.153 0.000 1.215 204 W CA 0.541 58.084 57.345 0.330 0.000 1.297 204 W CB -0.655 28.956 29.460 0.250 0.000 1.113 204 W HN 0.242 nan 8.180 nan 0.000 0.551 205 A N -1.004 121.918 122.820 0.171 0.000 3.785 205 A HA 0.590 4.909 4.320 -0.001 0.000 0.171 205 A C -0.433 176.891 177.584 -0.433 0.000 0.708 205 A CA -0.349 51.530 52.037 -0.263 0.000 0.959 205 A CB 0.479 18.934 19.000 -0.907 0.000 1.828 205 A HN -0.143 nan 8.150 nan 0.000 0.804 206 Q N 0.205 119.459 119.800 -0.909 0.000 2.433 206 Q HA 0.466 4.806 4.340 -0.001 0.000 0.279 206 Q C -1.280 174.408 176.000 -0.521 0.000 1.105 206 Q CA -0.522 54.900 55.803 -0.636 0.000 0.815 206 Q CB 1.611 29.858 28.738 -0.817 0.000 1.403 206 Q HN 0.638 nan 8.270 nan 0.000 0.435 207 T N 4.083 118.485 114.554 -0.253 0.000 2.817 207 T HA 0.153 4.502 4.350 -0.001 0.000 0.295 207 T C -2.193 172.404 174.700 -0.171 0.000 0.958 207 T CA -0.698 61.313 62.100 -0.148 0.000 1.157 207 T CB -0.127 68.712 68.868 -0.048 0.000 0.898 207 T HN 0.248 nan 8.240 nan 0.000 0.536 208 P HA 0.098 nan 4.420 nan 0.000 0.264 208 P C -2.102 175.075 177.300 -0.204 0.000 1.183 208 P CA -1.386 61.664 63.100 -0.083 0.000 0.763 208 P CB 0.293 32.022 31.700 0.048 0.000 0.807 209 P HA -0.180 nan 4.420 nan 0.000 0.217 209 P C 0.836 177.953 177.300 -0.305 0.000 1.148 209 P CA 1.638 64.528 63.100 -0.350 0.000 0.828 209 P CB -0.101 31.261 31.700 -0.563 0.000 0.783 210 D N -1.701 118.265 120.400 -0.724 0.000 2.339 210 D HA -0.053 4.586 4.640 -0.001 0.000 0.217 210 D C 0.406 176.561 176.300 -0.242 0.000 1.050 210 D CA 0.019 53.552 54.000 -0.777 0.000 0.856 210 D CB -0.880 39.173 40.800 -1.246 0.000 0.922 210 D HN 0.113 nan 8.370 nan 0.000 0.518 211 Q N 0.240 119.971 119.800 -0.115 0.000 2.437 211 Q HA -0.259 4.080 4.340 -0.001 0.000 0.274 211 Q C -0.490 175.532 176.000 0.038 0.000 1.165 211 Q CA 0.831 56.639 55.803 0.009 0.000 0.925 211 Q CB -1.675 27.075 28.738 0.020 0.000 1.327 211 Q HN 0.413 nan 8.270 nan 0.000 0.505 212 N N -1.924 116.792 118.700 0.028 0.000 2.782 212 N HA -0.197 4.543 4.740 -0.001 0.000 0.251 212 N C 0.427 175.937 175.510 0.001 0.000 1.101 212 N CA 1.687 54.783 53.050 0.075 0.000 0.764 212 N CB -1.708 36.894 38.487 0.191 0.000 1.122 212 N HN 0.687 nan 8.380 nan 0.000 0.561 213 M N -0.834 118.732 119.600 -0.057 0.000 2.252 213 M HA 0.432 4.911 4.480 -0.001 0.000 0.333 213 M C 0.956 177.225 176.300 -0.052 0.000 1.111 213 M CA 1.152 56.425 55.300 -0.046 0.000 1.140 213 M CB 0.835 33.428 32.600 -0.013 0.000 1.538 213 M HN 0.242 nan 8.290 nan 0.000 0.448 214 G N 2.779 111.511 108.800 -0.113 0.000 2.325 214 G HA2 0.180 4.139 3.960 -0.001 0.000 0.285 214 G HA3 0.180 4.139 3.960 -0.001 0.000 0.285 214 G C -1.475 173.157 174.900 -0.447 0.000 1.303 214 G CA -1.000 43.921 45.100 -0.298 0.000 0.970 214 G HN 0.903 nan 8.290 nan 0.000 0.490 215 I N 1.868 122.040 120.570 -0.663 0.000 2.337 215 I HA 0.319 4.489 4.170 -0.001 0.000 0.285 215 I C 1.449 177.452 176.117 -0.189 0.000 1.041 215 I CA -0.709 60.301 61.300 -0.482 0.000 1.199 215 I CB 1.500 39.035 38.000 -0.775 0.000 1.370 215 I HN 0.640 nan 8.210 nan 0.000 0.470 216 V N 2.540 122.399 119.914 -0.093 0.000 3.649 216 V HA 0.329 4.448 4.120 -0.001 0.000 0.275 216 V C 0.838 176.937 176.094 0.008 0.000 1.281 216 V CA 0.331 62.634 62.300 0.004 0.000 1.143 216 V CB -0.714 31.128 31.823 0.032 0.000 0.892 216 V HN 0.683 nan 8.190 nan 0.000 0.441 217 R N -0.351 120.144 120.500 -0.008 0.000 2.950 217 R HA 0.514 4.854 4.340 -0.001 0.000 0.253 217 R C -1.094 175.236 176.300 0.051 0.000 1.168 217 R CA -1.008 55.092 56.100 -0.000 0.000 1.014 217 R CB 0.695 31.001 30.300 0.010 0.000 1.228 217 R HN 0.154 nan 8.270 nan 0.000 0.487 218 D N 0.636 121.080 120.400 0.073 0.000 2.372 218 D HA 0.144 4.784 4.640 -0.001 0.000 0.243 218 D C -0.624 175.785 176.300 0.181 0.000 1.121 218 D CA 0.094 54.173 54.000 0.132 0.000 0.898 218 D CB 1.226 42.097 40.800 0.117 0.000 1.202 218 D HN -0.001 nan 8.370 nan 0.000 0.428 219 V N 3.327 123.368 119.914 0.211 0.000 2.370 219 V HA 0.230 4.350 4.120 -0.001 0.000 0.279 219 V C 0.251 176.493 176.094 0.247 0.000 1.029 219 V CA -0.656 61.799 62.300 0.259 0.000 0.870 219 V CB 0.944 32.895 31.823 0.213 0.000 0.984 219 V HN 0.281 nan 8.190 nan 0.000 0.451 220 L N 5.676 127.061 121.223 0.270 0.000 2.276 220 L HA 0.455 4.795 4.340 -0.001 0.000 0.286 220 L C -0.190 176.821 176.870 0.234 0.000 1.061 220 L CA -0.610 54.359 54.840 0.215 0.000 0.807 220 L CB 1.485 43.655 42.059 0.185 0.000 1.177 220 L HN 0.340 nan 8.230 nan 0.000 0.429 221 V N 4.708 124.735 119.914 0.188 0.000 2.408 221 V HA 0.293 4.413 4.120 -0.001 0.000 0.267 221 V C 0.435 176.636 176.094 0.178 0.000 1.047 221 V CA -0.376 62.033 62.300 0.182 0.000 0.937 221 V CB 0.640 32.544 31.823 0.135 0.000 0.999 221 V HN 0.702 nan 8.190 nan 0.000 0.472 222 R N 4.841 125.478 120.500 0.228 0.000 2.604 222 R HA 0.735 5.074 4.340 -0.001 0.000 0.287 222 R C -0.741 175.723 176.300 0.273 0.000 0.970 222 R CA -0.961 55.275 56.100 0.227 0.000 0.946 222 R CB 1.847 32.272 30.300 0.208 0.000 1.127 222 R HN 0.527 nan 8.270 nan 0.000 0.473 223 R N 0.918 121.543 120.500 0.208 0.000 2.574 223 R HA 0.476 4.816 4.340 -0.001 0.000 0.288 223 R C -0.932 175.471 176.300 0.172 0.000 1.004 223 R CA -0.662 55.553 56.100 0.192 0.000 0.895 223 R CB 2.068 32.441 30.300 0.122 0.000 1.191 223 R HN 0.981 nan 8.270 nan 0.000 0.444 224 S N -0.849 114.971 115.700 0.199 0.000 2.661 224 S HA 0.669 5.139 4.470 -0.001 0.000 0.268 224 S C 0.107 174.794 174.600 0.146 0.000 1.162 224 S CA -0.463 57.824 58.200 0.145 0.000 0.817 224 S CB 1.556 64.822 63.200 0.110 0.000 1.141 224 S HN 0.568 nan 8.310 nan 0.000 0.477 225 G N 0.361 109.226 108.800 0.107 0.000 2.873 225 G HA2 0.536 4.495 3.960 -0.001 0.000 0.170 225 G HA3 0.536 4.495 3.960 -0.001 0.000 0.170 225 G C 1.224 176.189 174.900 0.109 0.000 1.608 225 G CA -0.066 45.090 45.100 0.093 0.000 1.084 225 G HN 1.374 nan 8.290 nan 0.000 0.563 226 A N -1.594 121.275 122.820 0.082 0.000 1.969 226 A HA 0.336 4.656 4.320 -0.001 0.000 0.218 226 A C 0.883 178.518 177.584 0.085 0.000 1.169 226 A CA 0.929 53.015 52.037 0.081 0.000 0.635 226 A CB -0.319 18.715 19.000 0.056 0.000 0.810 226 A HN 0.360 nan 8.150 nan 0.000 0.445 227 V N 0.038 119.992 119.914 0.068 0.000 2.435 227 V HA 0.619 4.738 4.120 -0.001 0.000 0.290 227 V C 0.165 176.275 176.094 0.027 0.000 1.030 227 V CA -0.377 61.951 62.300 0.047 0.000 0.881 227 V CB 1.171 33.014 31.823 0.034 0.000 0.983 227 V HN 0.467 nan 8.190 nan 0.000 0.445 228 A N 4.975 127.787 122.820 -0.013 0.000 2.317 228 A HA 0.832 5.152 4.320 -0.001 0.000 0.327 228 A C -0.983 176.562 177.584 -0.064 0.000 1.178 228 A CA -0.511 51.465 52.037 -0.103 0.000 0.817 228 A CB 1.118 19.938 19.000 -0.300 0.000 1.189 228 A HN 0.789 nan 8.150 nan 0.000 0.489 229 L N 3.283 124.475 121.223 -0.051 0.000 2.272 229 L HA 0.660 5.000 4.340 -0.001 0.000 0.289 229 L C -0.224 176.637 176.870 -0.014 0.000 1.032 229 L CA 0.018 54.852 54.840 -0.009 0.000 0.810 229 L CB 0.666 42.736 42.059 0.018 0.000 1.205 229 L HN 0.746 nan 8.230 nan 0.000 0.422 230 R N 2.802 123.306 120.500 0.008 0.000 2.867 230 R HA 0.420 4.759 4.340 -0.001 0.000 0.268 230 R C -0.013 176.321 176.300 0.057 0.000 1.014 230 R CA -0.602 55.508 56.100 0.017 0.000 0.946 230 R CB 1.554 31.856 30.300 0.003 0.000 1.208 230 R HN 0.619 nan 8.270 nan 0.000 0.477 231 S N -0.146 115.588 115.700 0.058 0.000 3.614 231 S HA -0.221 4.249 4.470 -0.001 0.000 0.360 231 S C -0.333 174.370 174.600 0.171 0.000 1.023 231 S CA 0.583 58.832 58.200 0.081 0.000 1.114 231 S CB -0.923 62.338 63.200 0.101 0.000 0.907 231 S HN 0.761 nan 8.310 nan 0.000 0.470 232 A N 3.020 125.916 122.820 0.126 0.000 2.404 232 A HA 0.584 4.904 4.320 -0.001 0.000 0.273 232 A C 0.255 177.928 177.584 0.149 0.000 1.144 232 A CA 0.221 52.332 52.037 0.122 0.000 0.806 232 A CB 0.186 19.222 19.000 0.060 0.000 1.080 232 A HN 0.875 nan 8.150 nan 0.000 0.509 233 H N -0.303 118.733 119.070 -0.058 0.000 2.941 233 H HA 0.756 5.312 4.556 -0.001 0.000 0.344 233 H C -1.769 173.444 175.328 -0.192 0.000 1.235 233 H CA -1.549 54.430 56.048 -0.116 0.000 1.149 233 H CB 1.085 30.782 29.762 -0.110 0.000 1.885 233 H HN 0.351 nan 8.280 nan 0.000 0.558 234 V N 2.037 121.771 119.914 -0.300 0.000 2.443 234 V HA 0.270 4.389 4.120 -0.001 0.000 0.293 234 V C 0.385 176.257 176.094 -0.370 0.000 1.021 234 V CA -0.640 61.342 62.300 -0.529 0.000 0.848 234 V CB 1.177 32.340 31.823 -1.101 0.000 0.998 234 V HN 0.564 nan 8.190 nan 0.000 0.424 235 I N 5.356 125.753 120.570 -0.289 0.000 2.496 235 I HA 0.381 4.551 4.170 -0.001 0.000 0.285 235 I C 0.117 176.108 176.117 -0.211 0.000 1.080 235 I CA 0.124 61.317 61.300 -0.177 0.000 1.404 235 I CB 1.217 39.152 38.000 -0.108 0.000 1.403 235 I HN 0.835 nan 8.210 nan 0.000 0.539 236 Q N 5.987 125.691 119.800 -0.161 0.000 2.323 236 Q HA 0.632 4.972 4.340 -0.001 0.000 0.271 236 Q C -0.971 174.976 176.000 -0.089 0.000 1.048 236 Q CA -1.109 54.616 55.803 -0.130 0.000 0.792 236 Q CB 2.030 30.726 28.738 -0.071 0.000 1.280 236 Q HN 0.432 nan 8.270 nan 0.000 0.441 237 K N 2.659 123.006 120.400 -0.088 0.000 2.613 237 K HA 0.501 4.820 4.320 -0.001 0.000 0.248 237 K C -1.761 174.799 176.600 -0.066 0.000 0.959 237 K CA -0.723 55.523 56.287 -0.067 0.000 0.855 237 K CB 1.198 33.664 32.500 -0.057 0.000 1.143 237 K HN 0.645 nan 8.250 nan 0.000 0.437 238 L N 4.763 125.959 121.223 -0.045 0.000 2.292 238 L HA 0.407 4.747 4.340 -0.001 0.000 0.284 238 L C -0.260 176.612 176.870 0.002 0.000 1.065 238 L CA -0.112 54.711 54.840 -0.030 0.000 0.806 238 L CB 0.728 42.771 42.059 -0.027 0.000 1.175 238 L HN 0.969 nan 8.230 nan 0.000 0.431 239 N N 1.518 120.239 118.700 0.036 0.000 2.326 239 N HA -0.054 4.685 4.740 -0.001 0.000 0.239 239 N C 0.912 176.452 175.510 0.050 0.000 1.301 239 N CA 0.527 53.614 53.050 0.061 0.000 0.909 239 N CB 0.224 38.775 38.487 0.106 0.000 1.156 239 N HN 0.614 nan 8.380 nan 0.000 0.462 240 S N -0.592 115.137 115.700 0.049 0.000 2.419 240 S HA -0.101 4.368 4.470 -0.001 0.000 0.233 240 S C 1.679 176.319 174.600 0.066 0.000 1.016 240 S CA 0.740 58.970 58.200 0.050 0.000 0.974 240 S CB -0.718 62.508 63.200 0.044 0.000 0.786 240 S HN 0.784 nan 8.310 nan 0.000 0.492 241 A N 1.174 124.036 122.820 0.071 0.000 2.167 241 A HA 0.450 4.769 4.320 -0.001 0.000 0.214 241 A C 1.428 179.074 177.584 0.102 0.000 1.151 241 A CA 0.740 52.826 52.037 0.082 0.000 0.735 241 A CB -0.787 18.256 19.000 0.072 0.000 0.802 241 A HN 0.933 nan 8.150 nan 0.000 0.467 242 L N -1.419 119.861 121.223 0.095 0.000 4.560 242 L HA -0.231 4.109 4.340 -0.001 0.000 0.415 242 L C 0.384 177.321 176.870 0.111 0.000 1.123 242 L CA 0.705 55.605 54.840 0.100 0.000 0.991 242 L CB -2.026 40.121 42.059 0.147 0.000 2.127 242 L HN 0.678 nan 8.230 nan 0.000 0.765 243 D N -1.427 119.040 120.400 0.112 0.000 2.440 243 D HA 0.197 4.837 4.640 -0.001 0.000 0.216 243 D C 0.337 176.736 176.300 0.165 0.000 1.150 243 D CA 0.166 54.237 54.000 0.119 0.000 0.832 243 D CB 0.179 41.039 40.800 0.100 0.000 0.992 243 D HN 0.595 nan 8.370 nan 0.000 0.502 244 H N -0.242 118.847 119.070 0.031 0.000 3.086 244 H HA 0.642 5.197 4.556 -0.001 0.000 0.353 244 H C -1.920 173.413 175.328 0.008 0.000 1.134 244 H CA -0.467 55.591 56.048 0.016 0.000 1.248 244 H CB 1.711 31.480 29.762 0.011 0.000 1.878 244 H HN 0.087 nan 8.280 nan 0.000 0.527 245 A N 3.818 126.247 122.820 -0.651 0.000 2.435 245 A HA 0.532 4.851 4.320 -0.001 0.000 0.304 245 A C -1.328 175.912 177.584 -0.572 0.000 1.064 245 A CA -0.817 50.950 52.037 -0.451 0.000 0.727 245 A CB 1.495 20.372 19.000 -0.205 0.000 1.284 245 A HN 0.737 nan 8.150 nan 0.000 0.415 246 D N 1.795 122.007 120.400 -0.313 0.000 2.308 246 D HA 0.487 5.127 4.640 -0.001 0.000 0.242 246 D C -0.943 175.259 176.300 -0.163 0.000 1.059 246 D CA 0.039 53.918 54.000 -0.202 0.000 0.830 246 D CB 1.764 42.507 40.800 -0.096 0.000 1.161 246 D HN 0.418 nan 8.370 nan 0.000 0.494 247 L N 1.696 122.820 121.223 -0.164 0.000 2.313 247 L HA 0.379 4.719 4.340 -0.001 0.000 0.283 247 L C 0.121 176.885 176.870 -0.176 0.000 1.013 247 L CA -0.546 54.170 54.840 -0.206 0.000 0.816 247 L CB 1.717 43.633 42.059 -0.240 0.000 1.236 247 L HN 0.133 nan 8.230 nan 0.000 0.419 248 T N 2.578 117.017 114.554 -0.191 0.000 2.821 248 T HA 0.357 4.707 4.350 -0.001 0.000 0.307 248 T C 0.030 174.604 174.700 -0.210 0.000 1.034 248 T CA -0.377 61.636 62.100 -0.144 0.000 0.953 248 T CB 1.441 70.247 68.868 -0.103 0.000 0.968 248 T HN 0.174 nan 8.240 nan 0.000 0.462 249 V N 4.824 124.640 119.914 -0.164 0.000 2.498 249 V HA 0.376 4.496 4.120 -0.001 0.000 0.279 249 V C 0.313 176.399 176.094 -0.014 0.000 1.048 249 V CA -0.391 61.789 62.300 -0.201 0.000 0.967 249 V CB 0.897 32.512 31.823 -0.347 0.000 0.988 249 V HN 0.699 nan 8.190 nan 0.000 0.473 250 K N 3.000 123.254 120.400 -0.242 0.000 2.318 250 K HA 0.894 5.214 4.320 -0.001 0.000 0.249 250 K C -0.779 175.801 176.600 -0.034 0.000 0.942 250 K CA -0.527 55.672 56.287 -0.147 0.000 0.808 250 K CB 2.384 34.704 32.500 -0.301 0.000 1.189 250 K HN 0.833 nan 8.250 nan 0.000 0.428 251 A N 2.100 124.978 122.820 0.097 0.000 2.566 251 A HA 0.386 4.706 4.320 -0.001 0.000 0.297 251 A C -1.801 175.836 177.584 0.088 0.000 1.059 251 A CA -0.943 51.170 52.037 0.126 0.000 0.691 251 A CB 1.112 20.214 19.000 0.170 0.000 1.282 251 A HN 0.621 nan 8.150 nan 0.000 0.401 252 D N 1.480 121.932 120.400 0.087 0.000 2.210 252 D HA 0.477 5.117 4.640 -0.001 0.000 0.249 252 D C 0.077 176.397 176.300 0.034 0.000 1.078 252 D CA 0.173 54.206 54.000 0.054 0.000 0.875 252 D CB 1.791 42.628 40.800 0.061 0.000 1.175 252 D HN 0.665 nan 8.370 nan 0.000 0.440 253 V N 0.313 120.237 119.914 0.017 0.000 2.495 253 V HA 0.619 4.738 4.120 -0.001 0.000 0.298 253 V C -0.148 175.950 176.094 0.006 0.000 1.031 253 V CA -1.041 61.265 62.300 0.010 0.000 0.871 253 V CB 1.967 33.794 31.823 0.007 0.000 0.988 253 V HN 0.423 nan 8.190 nan 0.000 0.432 254 R N 3.289 123.792 120.500 0.004 0.000 2.409 254 R HA 0.447 4.786 4.340 -0.001 0.000 0.313 254 R C -0.733 175.585 176.300 0.029 0.000 0.953 254 R CA -0.489 55.620 56.100 0.013 0.000 0.849 254 R CB 1.216 31.521 30.300 0.008 0.000 1.171 254 R HN 0.914 nan 8.270 nan 0.000 0.458 255 N N 2.999 121.719 118.700 0.033 0.000 2.415 255 N HA 0.058 4.797 4.740 -0.001 0.000 0.246 255 N C -0.755 174.792 175.510 0.061 0.000 1.078 255 N CA -0.115 52.961 53.050 0.044 0.000 0.942 255 N CB 1.179 39.685 38.487 0.031 0.000 1.140 255 N HN 0.550 nan 8.380 nan 0.000 0.501 256 D N 0.424 120.879 120.400 0.092 0.000 2.363 256 D HA 0.004 4.644 4.640 -0.001 0.000 0.214 256 D C 0.368 176.716 176.300 0.080 0.000 1.093 256 D CA 0.129 54.194 54.000 0.108 0.000 0.837 256 D CB 0.186 41.105 40.800 0.199 0.000 0.948 256 D HN 0.599 nan 8.370 nan 0.000 0.507 257 S N -0.227 115.512 115.700 0.065 0.000 2.634 257 S HA 0.441 4.910 4.470 -0.001 0.000 0.261 257 S C 1.392 176.013 174.600 0.034 0.000 1.271 257 S CA -0.174 58.054 58.200 0.047 0.000 0.985 257 S CB 1.940 65.166 63.200 0.044 0.000 0.968 257 S HN 0.003 nan 8.310 nan 0.000 0.568 258 A N 0.884 123.720 122.820 0.027 0.000 2.167 258 A HA 0.234 4.553 4.320 -0.001 0.000 0.214 258 A C 0.452 178.048 177.584 0.019 0.000 1.151 258 A CA 0.236 52.285 52.037 0.021 0.000 0.735 258 A CB -0.933 18.077 19.000 0.017 0.000 0.802 258 A HN 0.852 nan 8.150 nan 0.000 0.467 259 N N -1.424 117.288 118.700 0.020 0.000 2.240 259 N HA 0.562 5.302 4.740 -0.001 0.000 0.302 259 N C -0.458 175.063 175.510 0.017 0.000 1.106 259 N CA -0.132 52.929 53.050 0.017 0.000 0.778 259 N CB 1.619 40.115 38.487 0.016 0.000 1.431 259 N HN 0.234 nan 8.380 nan 0.000 0.479 260 A N 0.792 123.620 122.820 0.013 0.000 2.587 260 A HA 0.340 4.659 4.320 -0.001 0.000 0.233 260 A C 0.212 177.804 177.584 0.013 0.000 1.049 260 A CA 0.128 52.172 52.037 0.011 0.000 0.754 260 A CB -0.380 18.624 19.000 0.008 0.000 0.977 260 A HN 0.565 nan 8.150 nan 0.000 0.509 261 V N 0.082 120.004 119.914 0.012 0.000 3.078 261 V HA 0.646 4.766 4.120 -0.001 0.000 0.311 261 V C -0.618 175.481 176.094 0.009 0.000 1.138 261 V CA -0.963 61.344 62.300 0.013 0.000 1.007 261 V CB 1.854 33.688 31.823 0.019 0.000 1.045 261 V HN 0.860 nan 8.190 nan 0.000 0.432 262 Q N 1.140 120.945 119.800 0.009 0.000 2.307 262 Q HA 0.558 4.898 4.340 -0.001 0.000 0.262 262 Q C -0.833 175.172 176.000 0.008 0.000 0.961 262 Q CA -0.230 55.576 55.803 0.005 0.000 0.882 262 Q CB 2.003 30.743 28.738 0.004 0.000 1.264 262 Q HN 0.960 nan 8.270 nan 0.000 0.446 263 T N 1.419 115.976 114.554 0.004 0.000 2.829 263 T HA 0.413 4.763 4.350 -0.001 0.000 0.280 263 T C -0.746 173.958 174.700 0.007 0.000 0.999 263 T CA -0.276 61.830 62.100 0.010 0.000 0.983 263 T CB 1.188 70.064 68.868 0.013 0.000 0.968 263 T HN 0.374 nan 8.240 nan 0.000 0.446 264 T N 3.944 118.510 114.554 0.021 0.000 2.758 264 T HA 0.495 4.844 4.350 -0.001 0.000 0.285 264 T C -0.441 174.293 174.700 0.058 0.000 0.981 264 T CA -0.423 61.696 62.100 0.031 0.000 0.965 264 T CB 0.857 69.747 68.868 0.036 0.000 0.927 264 T HN 0.439 nan 8.240 nan 0.000 0.448 265 V N 3.366 123.329 119.914 0.082 0.000 2.328 265 V HA 0.804 4.923 4.120 -0.001 0.000 0.278 265 V C 0.163 176.430 176.094 0.289 0.000 1.021 265 V CA -0.547 61.854 62.300 0.169 0.000 0.838 265 V CB 0.558 32.497 31.823 0.194 0.000 0.999 265 V HN 1.077 nan 8.190 nan 0.000 0.447 266 A N 3.605 126.536 122.820 0.184 0.000 2.587 266 A HA 1.054 5.374 4.320 -0.001 0.000 0.293 266 A C 0.065 177.675 177.584 0.043 0.000 1.087 266 A CA 0.072 52.190 52.037 0.134 0.000 0.692 266 A CB 2.140 21.201 19.000 0.103 0.000 1.291 266 A HN 1.446 nan 8.150 nan 0.000 0.407 267 G N -0.615 108.179 108.800 -0.010 0.000 2.564 267 G HA2 0.621 4.580 3.960 -0.001 0.000 0.139 267 G HA3 0.621 4.580 3.960 -0.001 0.000 0.139 267 G C -0.457 174.408 174.900 -0.059 0.000 1.147 267 G CA 0.792 45.875 45.100 -0.029 0.000 1.031 267 G HN 2.094 nan 8.290 nan 0.000 0.482 268 T N -2.481 112.036 114.554 -0.062 0.000 2.912 268 T HA 0.710 5.060 4.350 -0.001 0.000 0.299 268 T C -1.381 173.288 174.700 -0.051 0.000 1.052 268 T CA -0.443 61.629 62.100 -0.047 0.000 0.996 268 T CB 1.953 70.822 68.868 0.002 0.000 1.070 268 T HN 1.711 nan 8.240 nan 0.000 0.465 269 V N 2.672 122.556 119.914 -0.050 0.000 2.487 269 V HA 0.656 4.775 4.120 -0.001 0.000 0.298 269 V C 0.669 176.811 176.094 0.081 0.000 1.028 269 V CA 0.267 62.581 62.300 0.024 0.000 0.860 269 V CB 0.543 32.307 31.823 -0.097 0.000 0.991 269 V HN 2.131 nan 8.190 nan 0.000 0.427 270 A N 4.783 127.716 122.820 0.188 0.000 2.748 270 A HA -0.021 4.298 4.320 -0.001 0.000 0.297 270 A C 1.850 179.510 177.584 0.126 0.000 1.508 270 A CA 1.612 53.743 52.037 0.158 0.000 0.799 270 A CB -1.829 17.067 19.000 -0.174 0.000 1.011 270 A HN 2.905 nan 8.150 nan 0.000 0.500 271 G N -2.137 106.727 108.800 0.107 0.000 2.162 271 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.260 271 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.260 271 G C -0.040 174.884 174.900 0.040 0.000 0.976 271 G CA 0.945 46.090 45.100 0.075 0.000 0.655 271 G HN 1.360 nan 8.290 nan 0.000 0.533 272 K N 0.953 121.364 120.400 0.017 0.000 2.159 272 K HA 0.529 4.848 4.320 -0.001 0.000 0.266 272 K C -2.655 173.934 176.600 -0.018 0.000 0.975 272 K CA -2.256 54.030 56.287 -0.001 0.000 0.865 272 K CB 2.452 34.943 32.500 -0.016 0.000 1.087 272 K HN 0.150 nan 8.250 nan 0.000 0.446 273 P HA 0.311 nan 4.420 nan 0.000 0.275 273 P C -0.307 176.978 177.300 -0.025 0.000 1.228 273 P CA -0.359 62.734 63.100 -0.013 0.000 0.786 273 P CB 0.541 32.246 31.700 0.007 0.000 0.927 274 I N -2.201 118.345 120.570 -0.041 0.000 2.827 274 I HA 0.744 4.913 4.170 -0.001 0.000 0.298 274 I C -0.961 175.213 176.117 0.096 0.000 1.235 274 I CA -0.926 60.359 61.300 -0.026 0.000 1.021 274 I CB 2.482 40.315 38.000 -0.279 0.000 1.259 274 I HN 0.232 nan 8.210 nan 0.000 0.427 275 S N 2.823 118.688 115.700 0.275 0.000 2.562 275 S HA 0.504 4.974 4.470 -0.001 0.000 0.274 275 S C -1.644 173.108 174.600 0.253 0.000 1.160 275 S CA -0.506 57.868 58.200 0.289 0.000 0.933 275 S CB 1.629 64.909 63.200 0.133 0.000 1.100 275 S HN 0.680 nan 8.310 nan 0.000 0.468 276 Q N 2.143 122.030 119.800 0.145 0.000 2.372 276 Q HA 0.485 4.825 4.340 -0.001 0.000 0.273 276 Q C -1.234 174.725 176.000 -0.069 0.000 1.078 276 Q CA -0.677 55.062 55.803 -0.107 0.000 0.806 276 Q CB 2.287 30.740 28.738 -0.475 0.000 1.332 276 Q HN 0.663 nan 8.270 nan 0.000 0.435 277 T N 1.538 116.055 114.554 -0.061 0.000 2.791 277 T HA 0.561 4.910 4.350 -0.001 0.000 0.288 277 T C -0.008 174.659 174.700 -0.055 0.000 0.999 277 T CA -0.525 61.552 62.100 -0.039 0.000 0.952 277 T CB 0.920 69.780 68.868 -0.014 0.000 0.938 277 T HN 0.433 nan 8.240 nan 0.000 0.444 278 V N 0.770 120.653 119.914 -0.052 0.000 3.001 278 V HA 0.849 4.968 4.120 -0.001 0.000 0.314 278 V C -0.125 175.952 176.094 -0.028 0.000 1.099 278 V CA -0.982 61.289 62.300 -0.049 0.000 0.989 278 V CB 2.142 33.925 31.823 -0.067 0.000 1.040 278 V HN 0.704 nan 8.190 nan 0.000 0.434 279 S N 2.518 118.204 115.700 -0.024 0.000 2.554 279 S HA 0.795 5.265 4.470 -0.001 0.000 0.278 279 S C -0.509 174.084 174.600 -0.012 0.000 1.242 279 S CA -0.493 57.699 58.200 -0.013 0.000 1.051 279 S CB 0.793 63.986 63.200 -0.011 0.000 0.986 279 S HN 0.647 nan 8.310 nan 0.000 0.502 280 L N 2.357 123.578 121.223 -0.004 0.000 2.406 280 L HA 0.583 4.923 4.340 -0.001 0.000 0.272 280 L C 0.330 177.203 176.870 0.004 0.000 0.980 280 L CA -0.849 53.990 54.840 -0.000 0.000 0.831 280 L CB 1.581 43.643 42.059 0.004 0.000 1.253 280 L HN 0.740 nan 8.230 nan 0.000 0.406 281 A N 2.489 125.310 122.820 0.003 0.000 2.448 281 A HA 0.598 4.918 4.320 -0.001 0.000 0.239 281 A C 0.636 178.227 177.584 0.011 0.000 1.080 281 A CA 0.160 52.201 52.037 0.006 0.000 0.779 281 A CB 0.350 19.352 19.000 0.003 0.000 1.026 281 A HN 0.834 nan 8.150 nan 0.000 0.499 282 A N 1.098 123.926 122.820 0.013 0.000 2.540 282 A HA 0.433 4.752 4.320 -0.001 0.000 0.239 282 A C 1.046 178.641 177.584 0.019 0.000 1.061 282 A CA 0.569 52.617 52.037 0.018 0.000 0.758 282 A CB -0.148 18.863 19.000 0.017 0.000 0.991 282 A HN 1.141 nan 8.150 nan 0.000 0.502 283 K N -0.331 120.086 120.400 0.027 0.000 3.529 283 K HA -0.192 4.127 4.320 -0.001 0.000 0.313 283 K C 0.102 176.716 176.600 0.023 0.000 1.316 283 K CA 1.674 57.979 56.287 0.029 0.000 0.988 283 K CB -1.682 30.832 32.500 0.023 0.000 1.252 283 K HN 0.986 nan 8.250 nan 0.000 0.438 284 E N 1.317 121.528 120.200 0.018 0.000 2.313 284 E HA 0.252 4.602 4.350 -0.001 0.000 0.276 284 E C -0.318 176.288 176.600 0.011 0.000 1.031 284 E CA -0.454 55.952 56.400 0.010 0.000 0.857 284 E CB 0.840 30.543 29.700 0.005 0.000 1.040 284 E HN 0.194 nan 8.360 nan 0.000 0.408 285 R N 3.777 124.280 120.500 0.006 0.000 2.494 285 R HA 0.353 4.692 4.340 -0.001 0.000 0.305 285 R C -0.993 175.307 176.300 -0.001 0.000 0.959 285 R CA -0.614 55.489 56.100 0.005 0.000 0.864 285 R CB 1.004 31.308 30.300 0.005 0.000 1.159 285 R HN 0.429 nan 8.270 nan 0.000 0.446 286 K N 1.490 121.888 120.400 -0.002 0.000 2.328 286 K HA 0.359 4.679 4.320 -0.001 0.000 0.246 286 K C -1.082 175.516 176.600 -0.003 0.000 0.955 286 K CA -0.791 55.490 56.287 -0.010 0.000 0.817 286 K CB 2.496 34.982 32.500 -0.023 0.000 1.208 286 K HN 0.469 nan 8.250 nan 0.000 0.432 287 T N 1.549 116.100 114.554 -0.004 0.000 2.749 287 T HA 0.245 4.595 4.350 -0.001 0.000 0.287 287 T C -0.518 174.157 174.700 -0.041 0.000 0.970 287 T CA -0.576 61.527 62.100 0.005 0.000 0.980 287 T CB 0.859 69.747 68.868 0.033 0.000 0.924 287 T HN 0.129 nan 8.240 nan 0.000 0.456 288 V N 4.727 124.599 119.914 -0.069 0.000 2.364 288 V HA 0.298 4.417 4.120 -0.001 0.000 0.272 288 V C 0.575 176.551 176.094 -0.197 0.000 1.036 288 V CA -0.608 61.576 62.300 -0.193 0.000 0.880 288 V CB 1.113 32.754 31.823 -0.304 0.000 0.991 288 V HN 0.921 nan 8.190 nan 0.000 0.460 289 T N 6.356 120.800 114.554 -0.185 0.000 2.744 289 T HA 0.545 4.895 4.350 -0.001 0.000 0.291 289 T C -0.295 174.297 174.700 -0.179 0.000 0.957 289 T CA 0.021 62.055 62.100 -0.109 0.000 1.002 289 T CB 0.253 69.087 68.868 -0.057 0.000 0.919 289 T HN 0.283 nan 8.240 nan 0.000 0.468 290 F N 3.742 123.646 119.950 -0.077 0.000 2.375 290 F HA 0.385 4.912 4.527 -0.001 0.000 0.333 290 F C -1.609 174.154 175.800 -0.062 0.000 1.104 290 F CA -2.401 55.560 58.000 -0.065 0.000 1.149 290 F CB 0.300 39.255 39.000 -0.076 0.000 1.190 290 F HN 0.348 nan 8.300 nan 0.000 0.533 291 P HA -0.028 nan 4.420 nan 0.000 0.266 291 P C -0.531 176.801 177.300 0.053 0.000 1.195 291 P CA -0.280 62.858 63.100 0.065 0.000 0.768 291 P CB 0.425 32.158 31.700 0.056 0.000 0.838 292 L N 4.091 125.326 121.223 0.020 0.000 2.615 292 L HA -0.036 4.304 4.340 -0.001 0.000 0.284 292 L C -0.537 176.330 176.870 -0.005 0.000 1.237 292 L CA 0.800 55.638 54.840 -0.003 0.000 0.905 292 L CB 0.082 42.142 42.059 0.001 0.000 1.149 292 L HN 0.073 nan 8.230 nan 0.000 0.499 293 V N 5.520 125.412 119.914 -0.036 0.000 2.417 293 V HA 0.558 4.678 4.120 -0.001 0.000 0.291 293 V C 0.759 176.824 176.094 -0.049 0.000 1.024 293 V CA -0.307 61.970 62.300 -0.038 0.000 0.861 293 V CB 1.158 32.941 31.823 -0.067 0.000 0.985 293 V HN 0.955 nan 8.190 nan 0.000 0.436 294 G N 3.855 112.658 108.800 0.005 0.000 2.415 294 G HA2 0.525 4.485 3.960 -0.001 0.000 0.269 294 G HA3 0.525 4.485 3.960 -0.001 0.000 0.269 294 G C -1.095 173.794 174.900 -0.018 0.000 1.209 294 G CA -0.235 44.890 45.100 0.041 0.000 0.835 294 G HN 0.560 nan 8.290 nan 0.000 0.534 295 L N 2.096 123.236 121.223 -0.138 0.000 2.406 295 L HA 0.437 4.776 4.340 -0.001 0.000 0.270 295 L C -1.052 175.803 176.870 -0.024 0.000 0.982 295 L CA -0.849 53.929 54.840 -0.103 0.000 0.843 295 L CB 1.743 43.683 42.059 -0.200 0.000 1.225 295 L HN 0.360 nan 8.230 nan 0.000 0.412 296 D N 5.229 125.682 120.400 0.089 0.000 2.256 296 D HA 0.323 4.962 4.640 -0.001 0.000 0.250 296 D C 0.060 176.414 176.300 0.091 0.000 1.093 296 D CA -0.114 53.975 54.000 0.149 0.000 0.882 296 D CB 1.114 41.989 40.800 0.124 0.000 1.185 296 D HN 0.436 nan 8.370 nan 0.000 0.437 297 R N 0.497 121.058 120.500 0.101 0.000 3.158 297 R HA -0.125 4.215 4.340 -0.001 0.000 0.244 297 R C -2.092 174.259 176.300 0.084 0.000 0.900 297 R CA -0.007 56.144 56.100 0.086 0.000 0.618 297 R CB -1.792 28.550 30.300 0.069 0.000 1.061 297 R HN 0.404 nan 8.270 nan 0.000 0.471 298 P HA -0.033 nan 4.420 nan 0.000 0.269 298 P C -0.135 177.251 177.300 0.142 0.000 1.215 298 P CA -0.177 63.001 63.100 0.130 0.000 0.780 298 P CB 0.515 32.270 31.700 0.092 0.000 0.898 299 N N 1.664 120.446 118.700 0.135 0.000 2.605 299 N HA 0.083 4.823 4.740 -0.001 0.000 0.258 299 N C -0.495 175.090 175.510 0.125 0.000 1.156 299 N CA -0.056 52.979 53.050 -0.024 0.000 1.008 299 N CB -0.411 37.754 38.487 -0.537 0.000 1.354 299 N HN 0.071 nan 8.380 nan 0.000 0.509 300 V N 3.339 123.363 119.914 0.182 0.000 2.599 300 V HA -0.114 4.006 4.120 -0.001 0.000 0.300 300 V C 0.589 176.756 176.094 0.122 0.000 1.034 300 V CA -0.284 62.085 62.300 0.116 0.000 1.115 300 V CB 0.108 31.951 31.823 0.033 0.000 0.934 300 V HN 0.525 nan 8.190 nan 0.000 0.485 301 W N 6.194 127.427 121.300 -0.112 0.000 2.266 301 W HA 0.471 5.131 4.660 -0.001 0.000 0.317 301 W C -0.762 175.589 176.519 -0.279 0.000 1.310 301 W CA -0.525 56.782 57.345 -0.063 0.000 1.207 301 W CB 0.532 29.973 29.460 -0.031 0.000 1.199 301 W HN 0.541 nan 8.180 nan 0.000 0.544 302 W N 7.532 128.526 121.300 -0.510 0.000 2.781 302 W HA 0.406 5.065 4.660 -0.001 0.000 0.345 302 W C -1.805 174.049 176.519 -1.109 0.000 1.085 302 W CA -2.355 54.705 57.345 -0.476 0.000 1.198 302 W CB 0.585 29.886 29.460 -0.265 0.000 1.423 302 W HN 0.179 nan 8.180 nan 0.000 0.532 303 P HA 0.055 nan 4.420 nan 0.000 0.267 303 P C -0.317 176.885 177.300 -0.163 0.000 1.201 303 P CA 0.034 63.029 63.100 -0.175 0.000 0.775 303 P CB 0.303 32.065 31.700 0.104 0.000 0.854 304 A N 2.507 125.242 122.820 -0.141 0.000 2.567 304 A HA 0.377 4.697 4.320 -0.001 0.000 0.240 304 A C 1.605 179.139 177.584 -0.084 0.000 1.053 304 A CA 0.894 52.861 52.037 -0.117 0.000 0.755 304 A CB -1.496 17.458 19.000 -0.076 0.000 0.978 304 A HN 0.888 nan 8.150 nan 0.000 0.507 305 G N 1.371 110.112 108.800 -0.099 0.000 2.199 305 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.254 305 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.254 305 G C 0.648 175.475 174.900 -0.121 0.000 0.982 305 G CA 0.860 45.904 45.100 -0.093 0.000 0.632 305 G HN 0.750 nan 8.290 nan 0.000 0.529 306 M N 0.375 119.898 119.600 -0.129 0.000 2.371 306 M HA 0.480 4.960 4.480 -0.001 0.000 0.246 306 M C 1.156 177.142 176.300 -0.523 0.000 1.103 306 M CA 1.056 56.216 55.300 -0.233 0.000 1.010 306 M CB 0.972 33.556 32.600 -0.027 0.000 1.457 306 M HN 1.016 nan 8.290 nan 0.000 0.486 307 G N -0.526 108.069 108.800 -0.341 0.000 2.350 307 G HA2 0.306 4.266 3.960 -0.001 0.000 0.276 307 G HA3 0.306 4.266 3.960 -0.001 0.000 0.276 307 G C -1.031 173.785 174.900 -0.140 0.000 1.313 307 G CA -0.650 44.225 45.100 -0.374 0.000 0.903 307 G HN 0.239 nan 8.290 nan 0.000 0.490 308 G N -1.602 107.176 108.800 -0.035 0.000 2.557 308 G HA2 0.514 4.473 3.960 -0.001 0.000 0.292 308 G HA3 0.514 4.473 3.960 -0.001 0.000 0.292 308 G C -0.175 174.645 174.900 -0.133 0.000 1.237 308 G CA -0.117 44.954 45.100 -0.048 0.000 0.978 308 G HN 0.532 nan 8.290 nan 0.000 0.498 309 Q N -0.844 118.860 119.800 -0.160 0.000 2.182 309 Q HA 0.189 4.528 4.340 -0.001 0.000 0.305 309 Q C -0.244 175.807 176.000 0.086 0.000 0.880 309 Q CA -0.410 55.219 55.803 -0.290 0.000 1.131 309 Q CB 0.263 28.883 28.738 -0.197 0.000 1.237 309 Q HN 0.738 nan 8.270 nan 0.000 0.447 310 H N 0.441 119.521 119.070 0.015 0.000 2.928 310 H HA 0.226 4.782 4.556 -0.001 0.000 0.338 310 H C -0.352 174.986 175.328 0.017 0.000 1.047 310 H CA 0.582 56.606 56.048 -0.040 0.000 1.435 310 H CB 0.526 30.196 29.762 -0.154 0.000 1.428 310 H HN 0.061 nan 8.280 nan 0.000 0.590 311 R N 3.980 124.183 120.500 -0.496 0.000 2.670 311 R HA 0.236 4.575 4.340 -0.001 0.000 0.289 311 R C -0.988 174.868 176.300 -0.740 0.000 0.965 311 R CA -0.847 55.012 56.100 -0.401 0.000 0.899 311 R CB 1.317 31.493 30.300 -0.206 0.000 1.173 311 R HN 0.573 nan 8.270 nan 0.000 0.456 312 Y N 0.299 120.238 120.300 -0.602 0.000 2.340 312 Y HA 0.178 4.727 4.550 -0.001 0.000 0.327 312 Y C 0.553 176.157 175.900 -0.493 0.000 1.321 312 Y CA 0.025 57.769 58.100 -0.594 0.000 1.433 312 Y CB 0.895 38.827 38.460 -0.880 0.000 1.373 312 Y HN 0.343 nan 8.280 nan 0.000 0.538 313 D N 1.231 121.623 120.400 -0.013 0.000 2.248 313 D HA 0.319 4.958 4.640 -0.001 0.000 0.246 313 D C -1.375 175.066 176.300 0.234 0.000 1.027 313 D CA -0.498 53.547 54.000 0.076 0.000 0.853 313 D CB 2.548 43.378 40.800 0.050 0.000 1.243 313 D HN 0.236 nan 8.370 nan 0.000 0.462 314 L N 1.966 123.335 121.223 0.242 0.000 2.307 314 L HA 0.420 4.760 4.340 -0.001 0.000 0.284 314 L C -1.034 175.873 176.870 0.061 0.000 1.023 314 L CA -0.222 54.704 54.840 0.142 0.000 0.810 314 L CB 1.436 43.548 42.059 0.088 0.000 1.231 314 L HN 0.138 nan 8.230 nan 0.000 0.423 315 D N 5.309 125.722 120.400 0.021 0.000 2.575 315 D HA 0.421 5.060 4.640 -0.001 0.000 0.250 315 D C -1.599 174.696 176.300 -0.008 0.000 1.279 315 D CA -0.087 53.922 54.000 0.015 0.000 0.925 315 D CB 0.928 41.742 40.800 0.025 0.000 1.261 315 D HN 0.515 nan 8.370 nan 0.000 0.567 316 L N 2.295 123.519 121.223 0.002 0.000 2.362 316 L HA 0.586 4.926 4.340 -0.001 0.000 0.271 316 L C -0.124 176.766 176.870 0.034 0.000 1.002 316 L CA -0.701 54.144 54.840 0.008 0.000 0.818 316 L CB 2.507 44.574 42.059 0.013 0.000 1.298 316 L HN 0.229 nan 8.230 nan 0.000 0.420 317 T N 1.706 116.287 114.554 0.045 0.000 2.812 317 T HA 0.592 4.941 4.350 -0.001 0.000 0.282 317 T C -0.288 174.449 174.700 0.063 0.000 0.990 317 T CA -0.479 61.651 62.100 0.049 0.000 0.960 317 T CB 1.798 70.692 68.868 0.043 0.000 0.948 317 T HN 0.619 nan 8.240 nan 0.000 0.438 318 A N 2.877 125.731 122.820 0.056 0.000 2.276 318 A HA 0.714 5.034 4.320 -0.001 0.000 0.300 318 A C 0.282 177.894 177.584 0.046 0.000 1.235 318 A CA -0.433 51.637 52.037 0.054 0.000 0.867 318 A CB 0.380 19.407 19.000 0.045 0.000 1.137 318 A HN 0.686 nan 8.150 nan 0.000 0.527 319 S N 0.537 116.264 115.700 0.044 0.000 2.578 319 S HA 0.713 5.182 4.470 -0.001 0.000 0.301 319 S C -0.703 173.917 174.600 0.034 0.000 1.091 319 S CA -0.469 57.754 58.200 0.039 0.000 1.032 319 S CB 1.680 64.903 63.200 0.038 0.000 1.064 319 S HN 0.661 nan 8.310 nan 0.000 0.508 320 V N 1.409 121.342 119.914 0.033 0.000 2.612 320 V HA 0.614 4.734 4.120 -0.001 0.000 0.301 320 V C 0.466 176.576 176.094 0.027 0.000 1.059 320 V CA -0.029 62.288 62.300 0.029 0.000 0.886 320 V CB 1.112 32.954 31.823 0.032 0.000 1.007 320 V HN 1.232 nan 8.190 nan 0.000 0.426 321 G N 3.622 112.436 108.800 0.024 0.000 2.272 321 G HA2 0.099 4.059 3.960 -0.001 0.000 0.280 321 G HA3 0.099 4.059 3.960 -0.001 0.000 0.280 321 G C 1.176 176.089 174.900 0.022 0.000 1.067 321 G CA 0.733 45.846 45.100 0.022 0.000 0.902 321 G HN 2.430 nan 8.290 nan 0.000 0.500 322 G N -2.373 106.441 108.800 0.023 0.000 2.168 322 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.263 322 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.263 322 G C 0.383 175.299 174.900 0.026 0.000 0.977 322 G CA 1.159 46.273 45.100 0.024 0.000 0.659 322 G HN 1.799 nan 8.290 nan 0.000 0.533 323 T N 1.462 116.033 114.554 0.028 0.000 2.863 323 T HA 0.583 4.933 4.350 -0.001 0.000 0.285 323 T C -2.781 171.940 174.700 0.034 0.000 1.009 323 T CA -1.194 60.925 62.100 0.030 0.000 0.989 323 T CB 2.855 71.741 68.868 0.030 0.000 1.004 323 T HN -0.035 nan 8.240 nan 0.000 0.455 324 P HA 0.193 nan 4.420 nan 0.000 0.268 324 P C 0.294 177.619 177.300 0.042 0.000 1.204 324 P CA 0.121 63.244 63.100 0.039 0.000 0.768 324 P CB 0.831 32.554 31.700 0.039 0.000 0.842 325 S N 1.536 117.262 115.700 0.044 0.000 2.591 325 S HA 0.108 4.577 4.470 -0.001 0.000 0.235 325 S C 0.247 174.877 174.600 0.050 0.000 1.074 325 S CA 0.496 58.725 58.200 0.049 0.000 0.925 325 S CB 0.036 63.264 63.200 0.047 0.000 0.818 325 S HN 0.509 nan 8.310 nan 0.000 0.535 326 D N -0.824 119.600 120.400 0.041 0.000 2.599 326 D HA 0.720 5.359 4.640 -0.001 0.000 0.252 326 D C -1.545 174.776 176.300 0.036 0.000 1.232 326 D CA -0.014 54.007 54.000 0.035 0.000 0.819 326 D CB 2.056 42.864 40.800 0.013 0.000 1.401 326 D HN 0.375 nan 8.370 nan 0.000 0.429 327 A N 0.150 122.991 122.820 0.035 0.000 2.594 327 A HA 0.862 5.181 4.320 -0.001 0.000 0.295 327 A C -1.709 175.897 177.584 0.036 0.000 1.071 327 A CA -0.069 51.990 52.037 0.037 0.000 0.685 327 A CB 1.655 20.678 19.000 0.039 0.000 1.285 327 A HN 0.857 nan 8.150 nan 0.000 0.405 328 A N 1.317 124.159 122.820 0.036 0.000 2.459 328 A HA 0.751 5.071 4.320 -0.001 0.000 0.296 328 A C -0.898 176.709 177.584 0.038 0.000 1.039 328 A CA -0.478 51.582 52.037 0.038 0.000 0.698 328 A CB 1.292 20.314 19.000 0.037 0.000 1.261 328 A HN 0.676 nan 8.150 nan 0.000 0.405 329 K N 1.028 121.453 120.400 0.042 0.000 2.221 329 K HA 0.758 5.078 4.320 -0.001 0.000 0.258 329 K C -0.352 176.278 176.600 0.049 0.000 0.944 329 K CA -0.207 56.107 56.287 0.044 0.000 0.823 329 K CB 1.831 34.357 32.500 0.044 0.000 1.113 329 K HN 0.978 nan 8.250 nan 0.000 0.431 330 S N 1.797 117.531 115.700 0.056 0.000 2.656 330 S HA 0.571 5.040 4.470 -0.001 0.000 0.273 330 S C -1.246 173.401 174.600 0.077 0.000 1.168 330 S CA -1.125 57.109 58.200 0.057 0.000 0.817 330 S CB 1.752 64.980 63.200 0.048 0.000 1.146 330 S HN 0.464 nan 8.310 nan 0.000 0.475 331 K N -0.044 120.387 120.400 0.052 0.000 2.350 331 K HA 0.830 5.149 4.320 -0.001 0.000 0.241 331 K C -1.376 175.288 176.600 0.108 0.000 0.994 331 K CA -0.744 55.568 56.287 0.042 0.000 0.839 331 K CB 1.702 34.178 32.500 -0.041 0.000 1.244 331 K HN 0.698 nan 8.250 nan 0.000 0.443 332 F N -2.299 117.622 119.950 -0.048 0.000 2.662 332 F HA 0.743 5.269 4.527 -0.001 0.000 0.312 332 F C -0.611 175.194 175.800 0.008 0.000 1.113 332 F CA -1.131 56.826 58.000 -0.072 0.000 0.951 332 F CB 1.350 40.313 39.000 -0.061 0.000 1.344 332 F HN 0.488 nan 8.300 nan 0.000 0.462 333 G N 0.687 109.518 108.800 0.052 0.000 2.482 333 G HA2 0.575 4.535 3.960 -0.001 0.000 0.317 333 G HA3 0.575 4.535 3.960 -0.001 0.000 0.317 333 G C -1.942 173.055 174.900 0.162 0.000 1.241 333 G CA -1.116 43.992 45.100 0.013 0.000 0.967 333 G HN 0.673 nan 8.290 nan 0.000 0.482 334 V N 3.018 123.072 119.914 0.233 0.000 2.368 334 V HA 0.657 4.776 4.120 -0.001 0.000 0.266 334 V C 0.414 176.562 176.094 0.090 0.000 1.045 334 V CA -0.362 62.050 62.300 0.187 0.000 0.899 334 V CB 0.364 32.319 31.823 0.221 0.000 1.006 334 V HN 0.853 nan 8.190 nan 0.000 0.470 335 R N 3.620 124.124 120.500 0.008 0.000 2.664 335 R HA 0.344 4.684 4.340 -0.001 0.000 0.260 335 R C -2.316 173.940 176.300 -0.073 0.000 1.062 335 R CA -0.573 55.494 56.100 -0.055 0.000 0.902 335 R CB 2.368 32.660 30.300 -0.012 0.000 1.258 335 R HN 0.698 nan 8.270 nan 0.000 0.465 336 D N 2.002 122.352 120.400 -0.084 0.000 2.362 336 D HA 0.500 5.140 4.640 -0.001 0.000 0.247 336 D C -1.450 174.832 176.300 -0.030 0.000 1.050 336 D CA -0.485 53.480 54.000 -0.058 0.000 0.839 336 D CB 2.142 42.915 40.800 -0.046 0.000 1.283 336 D HN 0.357 nan 8.370 nan 0.000 0.477 337 V N 2.995 122.897 119.914 -0.020 0.000 2.789 337 V HA 0.674 4.794 4.120 -0.001 0.000 0.311 337 V C -1.517 174.592 176.094 0.024 0.000 1.073 337 V CA -0.461 61.857 62.300 0.030 0.000 0.921 337 V CB 1.680 33.538 31.823 0.057 0.000 1.009 337 V HN 0.623 nan 8.190 nan 0.000 0.426 338 K N 3.904 124.336 120.400 0.054 0.000 2.477 338 K HA 0.893 5.212 4.320 -0.001 0.000 0.255 338 K C -1.288 175.281 176.600 -0.052 0.000 0.952 338 K CA -0.438 55.849 56.287 0.000 0.000 0.826 338 K CB 2.420 34.922 32.500 0.003 0.000 1.331 338 K HN 0.973 nan 8.250 nan 0.000 0.437 339 A N 1.557 124.268 122.820 -0.183 0.000 2.679 339 A HA 0.414 4.733 4.320 -0.001 0.000 0.288 339 A C -0.710 176.704 177.584 -0.284 0.000 1.160 339 A CA -0.625 51.147 52.037 -0.441 0.000 0.763 339 A CB 0.521 19.000 19.000 -0.868 0.000 1.270 339 A HN 0.635 nan 8.150 nan 0.000 0.417 340 T N -0.267 114.179 114.554 -0.179 0.000 2.942 340 T HA 0.721 5.071 4.350 -0.001 0.000 0.289 340 T C -0.339 174.313 174.700 -0.078 0.000 1.044 340 T CA -0.927 61.110 62.100 -0.106 0.000 1.023 340 T CB 0.913 69.749 68.868 -0.053 0.000 1.123 340 T HN 0.237 nan 8.240 nan 0.000 0.512 341 L N 3.895 125.087 121.223 -0.051 0.000 2.360 341 L HA 0.318 4.657 4.340 -0.001 0.000 0.276 341 L C 0.915 177.788 176.870 0.005 0.000 1.121 341 L CA -0.128 54.701 54.840 -0.018 0.000 0.845 341 L CB -0.568 41.483 42.059 -0.013 0.000 1.143 341 L HN 0.926 nan 8.230 nan 0.000 0.452 342 N N 1.151 119.868 118.700 0.029 0.000 2.322 342 N HA 0.026 4.766 4.740 -0.001 0.000 0.270 342 N C 0.957 176.484 175.510 0.028 0.000 1.286 342 N CA 0.130 53.200 53.050 0.033 0.000 0.948 342 N CB 0.041 38.559 38.487 0.051 0.000 1.164 342 N HN 0.472 nan 8.380 nan 0.000 0.551 343 S N -2.070 113.644 115.700 0.022 0.000 2.474 343 S HA -0.062 4.407 4.470 -0.001 0.000 0.235 343 S C 1.004 175.616 174.600 0.021 0.000 0.997 343 S CA 0.553 58.762 58.200 0.016 0.000 0.949 343 S CB -0.643 62.562 63.200 0.008 0.000 0.766 343 S HN 0.515 nan 8.310 nan 0.000 0.517 344 S N 0.621 116.343 115.700 0.036 0.000 2.575 344 S HA 0.472 4.942 4.470 -0.001 0.000 0.215 344 S C 1.381 176.022 174.600 0.070 0.000 0.966 344 S CA 0.211 58.440 58.200 0.048 0.000 0.911 344 S CB 0.029 63.268 63.200 0.065 0.000 0.780 344 S HN 1.012 nan 8.310 nan 0.000 0.514 345 G N 1.379 110.215 108.800 0.059 0.000 2.143 345 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.248 345 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.248 345 G C 0.238 175.190 174.900 0.086 0.000 0.991 345 G CA -0.210 44.928 45.100 0.062 0.000 0.689 345 G HN 0.799 nan 8.290 nan 0.000 0.522 346 G N -0.562 108.302 108.800 0.107 0.000 2.356 346 G HA2 0.584 4.544 3.960 -0.001 0.000 0.298 346 G HA3 0.584 4.544 3.960 -0.001 0.000 0.298 346 G C 0.036 175.003 174.900 0.112 0.000 1.145 346 G CA -0.504 44.682 45.100 0.144 0.000 0.850 346 G HN 0.513 nan 8.290 nan 0.000 0.487 347 R N 0.933 121.498 120.500 0.109 0.000 2.296 347 R HA 0.294 4.633 4.340 -0.001 0.000 0.323 347 R C -0.147 176.215 176.300 0.104 0.000 1.067 347 R CA -0.260 55.831 56.100 -0.015 0.000 0.946 347 R CB 0.596 30.767 30.300 -0.216 0.000 0.991 347 R HN 0.488 nan 8.270 nan 0.000 0.448 348 Q N 4.204 124.019 119.800 0.026 0.000 2.348 348 Q HA 0.269 4.608 4.340 -0.001 0.000 0.265 348 Q C -1.613 174.416 176.000 0.047 0.000 0.998 348 Q CA -0.447 55.446 55.803 0.149 0.000 0.831 348 Q CB 0.710 29.537 28.738 0.148 0.000 1.251 348 Q HN 0.617 nan 8.270 nan 0.000 0.456 349 Y N 1.336 121.757 120.300 0.202 0.000 2.301 349 Y HA 0.563 5.113 4.550 -0.001 0.000 0.325 349 Y C 0.327 176.320 175.900 0.156 0.000 1.203 349 Y CA 0.110 58.304 58.100 0.156 0.000 1.255 349 Y CB 1.746 40.315 38.460 0.182 0.000 1.232 349 Y HN 0.713 nan 8.280 nan 0.000 0.501 350 S N 0.576 116.450 115.700 0.289 0.000 2.546 350 S HA 0.799 5.269 4.470 -0.001 0.000 0.274 350 S C -1.598 173.118 174.600 0.193 0.000 1.121 350 S CA -0.940 57.395 58.200 0.225 0.000 0.887 350 S CB 1.416 64.714 63.200 0.163 0.000 1.094 350 S HN 0.321 nan 8.310 nan 0.000 0.474 351 V N 2.168 122.190 119.914 0.181 0.000 2.495 351 V HA 0.490 4.610 4.120 -0.001 0.000 0.298 351 V C 0.258 176.386 176.094 0.057 0.000 1.031 351 V CA -0.882 61.494 62.300 0.127 0.000 0.871 351 V CB 0.879 32.812 31.823 0.182 0.000 0.988 351 V HN 1.137 nan 8.190 nan 0.000 0.432 352 N N 3.462 122.127 118.700 -0.058 0.000 2.710 352 N HA -0.250 4.489 4.740 -0.001 0.000 0.249 352 N C 1.072 176.602 175.510 0.033 0.000 1.059 352 N CA 0.757 53.725 53.050 -0.137 0.000 0.720 352 N CB -0.746 37.388 38.487 -0.588 0.000 0.983 352 N HN 1.422 nan 8.380 nan 0.000 0.544 353 G N -1.484 107.360 108.800 0.074 0.000 2.199 353 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.254 353 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.254 353 G C -0.128 174.859 174.900 0.145 0.000 0.982 353 G CA 0.318 45.480 45.100 0.104 0.000 0.632 353 G HN 0.245 nan 8.290 nan 0.000 0.529 354 K N 1.653 122.166 120.400 0.189 0.000 2.253 354 K HA 0.475 4.794 4.320 -0.001 0.000 0.277 354 K C -2.515 174.213 176.600 0.212 0.000 1.053 354 K CA -2.112 54.306 56.287 0.218 0.000 0.892 354 K CB 1.667 34.346 32.500 0.298 0.000 1.102 354 K HN 0.144 nan 8.250 nan 0.000 0.469 355 P HA 0.175 nan 4.420 nan 0.000 0.269 355 P C -0.746 176.739 177.300 0.309 0.000 1.215 355 P CA -0.502 62.752 63.100 0.256 0.000 0.780 355 P CB 0.516 32.357 31.700 0.236 0.000 0.898 356 L N 2.176 123.600 121.223 0.334 0.000 2.493 356 L HA 0.354 4.694 4.340 -0.001 0.000 0.265 356 L C -1.210 175.666 176.870 0.010 0.000 0.954 356 L CA -0.726 54.219 54.840 0.175 0.000 0.844 356 L CB 1.901 44.060 42.059 0.168 0.000 1.302 356 L HN 0.171 nan 8.230 nan 0.000 0.405 357 L N 5.414 126.300 121.223 -0.561 0.000 2.385 357 L HA 0.411 4.750 4.340 -0.001 0.000 0.281 357 L C -0.303 176.420 176.870 -0.245 0.000 1.106 357 L CA 0.246 54.702 54.840 -0.640 0.000 0.856 357 L CB 0.059 41.439 42.059 -1.132 0.000 1.186 357 L HN 0.329 nan 8.230 nan 0.000 0.453 358 I N 6.120 126.625 120.570 -0.107 0.000 2.598 358 I HA 0.085 4.255 4.170 -0.001 0.000 0.284 358 I C 0.473 176.496 176.117 -0.156 0.000 1.140 358 I CA 0.555 61.797 61.300 -0.098 0.000 1.420 358 I CB -0.155 37.830 38.000 -0.024 0.000 1.387 358 I HN 0.664 nan 8.210 nan 0.000 0.553 359 R N 4.245 124.701 120.500 -0.074 0.000 2.500 359 R HA 0.659 4.999 4.340 -0.001 0.000 0.299 359 R C -0.094 176.246 176.300 0.067 0.000 1.038 359 R CA -0.499 55.613 56.100 0.021 0.000 0.903 359 R CB 2.183 32.488 30.300 0.008 0.000 1.177 359 R HN 0.896 nan 8.270 nan 0.000 0.455 360 G N 0.448 109.338 108.800 0.150 0.000 2.682 360 G HA2 0.698 4.658 3.960 -0.001 0.000 0.303 360 G HA3 0.698 4.658 3.960 -0.001 0.000 0.303 360 G C -1.344 173.669 174.900 0.189 0.000 1.341 360 G CA -0.576 44.597 45.100 0.122 0.000 0.784 360 G HN 0.599 nan 8.290 nan 0.000 0.497 361 G N -1.814 107.078 108.800 0.153 0.000 2.660 361 G HA2 0.655 4.615 3.960 -0.001 0.000 0.294 361 G HA3 0.655 4.615 3.960 -0.001 0.000 0.294 361 G C -0.242 174.714 174.900 0.094 0.000 1.369 361 G CA 0.129 45.320 45.100 0.152 0.000 0.912 361 G HN 1.258 nan 8.290 nan 0.000 0.479 362 G N -0.494 108.301 108.800 -0.009 0.000 2.360 362 G HA2 0.421 4.381 3.960 -0.001 0.000 0.279 362 G HA3 0.421 4.381 3.960 -0.001 0.000 0.279 362 G C -0.507 174.235 174.900 -0.264 0.000 1.189 362 G CA -0.110 44.903 45.100 -0.145 0.000 0.941 362 G HN 0.620 nan 8.290 nan 0.000 0.445 363 Y N 2.681 122.883 120.300 -0.163 0.000 2.309 363 Y HA 0.530 5.079 4.550 -0.001 0.000 0.327 363 Y C 0.592 176.374 175.900 -0.197 0.000 1.172 363 Y CA -0.068 57.959 58.100 -0.121 0.000 1.280 363 Y CB 1.653 40.152 38.460 0.065 0.000 1.234 363 Y HN 0.513 nan 8.280 nan 0.000 0.512 364 T N 8.086 122.113 114.554 -0.880 0.000 2.893 364 T HA 0.568 4.918 4.350 -0.001 0.000 0.291 364 T C -2.908 171.313 174.700 -0.797 0.000 1.028 364 T CA -2.364 59.379 62.100 -0.595 0.000 0.995 364 T CB 1.548 70.250 68.868 -0.277 0.000 1.051 364 T HN 0.535 nan 8.240 nan 0.000 0.470 365 P HA 0.265 nan 4.420 nan 0.000 0.279 365 P C -0.657 176.690 177.300 0.079 0.000 1.282 365 P CA -0.336 62.779 63.100 0.024 0.000 0.788 365 P CB 0.278 32.141 31.700 0.273 0.000 1.139 366 D N -0.607 119.860 120.400 0.112 0.000 2.533 366 D HA -0.095 4.544 4.640 -0.001 0.000 0.236 366 D C 1.302 177.512 176.300 -0.149 0.000 1.137 366 D CA -0.118 53.907 54.000 0.043 0.000 0.867 366 D CB 0.144 41.029 40.800 0.141 0.000 1.170 366 D HN 0.082 nan 8.370 nan 0.000 0.474 367 L N 4.040 124.915 121.223 -0.581 0.000 2.151 367 L HA -0.154 4.186 4.340 -0.001 0.000 0.215 367 L C 0.852 177.090 176.870 -1.054 0.000 1.084 367 L CA 1.816 55.852 54.840 -1.341 0.000 0.764 367 L CB -0.434 40.676 42.059 -1.581 0.000 0.891 367 L HN 0.548 nan 8.230 nan 0.000 0.435 368 F N -1.398 118.538 119.950 -0.023 0.000 2.708 368 F HA 0.368 4.895 4.527 -0.001 0.000 0.300 368 F C 1.028 176.915 175.800 0.145 0.000 1.118 368 F CA -0.635 57.409 58.000 0.073 0.000 1.307 368 F CB -0.378 38.669 39.000 0.078 0.000 0.986 368 F HN -0.182 nan 8.300 nan 0.000 0.522 369 L N -0.280 121.108 121.223 0.275 0.000 4.001 369 L HA -0.314 4.025 4.340 -0.001 0.000 0.413 369 L C 0.308 177.357 176.870 0.297 0.000 1.185 369 L CA 0.355 55.378 54.840 0.306 0.000 0.963 369 L CB -1.683 40.549 42.059 0.287 0.000 1.976 369 L HN 0.272 nan 8.230 nan 0.000 0.939 370 R N 0.925 121.589 120.500 0.274 0.000 2.404 370 R HA 0.068 4.408 4.340 -0.001 0.000 0.315 370 R C 0.118 176.594 176.300 0.293 0.000 1.032 370 R CA 0.010 56.259 56.100 0.249 0.000 0.992 370 R CB 0.471 30.880 30.300 0.181 0.000 0.959 370 R HN 0.285 nan 8.270 nan 0.000 0.428 371 W N 5.412 126.793 121.300 0.134 0.000 2.469 371 W HA 0.284 4.943 4.660 -0.001 0.000 0.320 371 W C -1.104 175.489 176.519 0.122 0.000 1.086 371 W CA -0.575 56.852 57.345 0.137 0.000 1.211 371 W CB 1.341 30.885 29.460 0.140 0.000 1.298 371 W HN 0.495 nan 8.180 nan 0.000 0.525 372 N N 4.483 122.626 118.700 -0.927 0.000 2.519 372 N HA -0.019 4.720 4.740 -0.001 0.000 0.291 372 N C 0.340 175.173 175.510 -1.128 0.000 1.107 372 N CA -0.071 52.506 53.050 -0.788 0.000 0.904 372 N CB 1.721 40.019 38.487 -0.316 0.000 1.500 372 N HN 0.715 nan 8.380 nan 0.000 0.510 373 E N 1.857 121.550 120.200 -0.846 0.000 2.049 373 E HA -0.183 4.167 4.350 -0.001 0.000 0.198 373 E C 0.793 177.232 176.600 -0.269 0.000 1.007 373 E CA 2.213 58.356 56.400 -0.428 0.000 0.809 373 E CB 0.234 29.975 29.700 0.069 0.000 0.749 373 E HN 0.674 nan 8.360 nan 0.000 0.450 374 T N 0.559 115.002 114.554 -0.185 0.000 2.635 374 T HA -0.251 4.099 4.350 -0.001 0.000 0.267 374 T C 1.838 176.445 174.700 -0.155 0.000 1.040 374 T CA 1.673 63.696 62.100 -0.127 0.000 1.156 374 T CB -0.471 68.342 68.868 -0.092 0.000 0.863 374 T HN 0.385 nan 8.240 nan 0.000 0.430 375 A N 1.389 124.092 122.820 -0.196 0.000 1.908 375 A HA 0.102 4.422 4.320 -0.001 0.000 0.218 375 A C 2.672 180.182 177.584 -0.123 0.000 1.181 375 A CA 2.015 53.958 52.037 -0.158 0.000 0.627 375 A CB -1.193 17.727 19.000 -0.133 0.000 0.818 375 A HN 0.532 nan 8.150 nan 0.000 0.445 376 A N -0.055 122.650 122.820 -0.192 0.000 1.883 376 A HA 0.069 4.388 4.320 -0.001 0.000 0.217 376 A C 2.530 180.111 177.584 -0.006 0.000 1.186 376 A CA 2.429 54.469 52.037 0.005 0.000 0.624 376 A CB -1.118 17.889 19.000 0.010 0.000 0.822 376 A HN 1.152 nan 8.150 nan 0.000 0.444 377 A N -0.105 122.671 122.820 -0.073 0.000 1.933 377 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 377 A C 1.738 179.258 177.584 -0.107 0.000 1.175 377 A CA 1.864 53.851 52.037 -0.082 0.000 0.628 377 A CB -0.564 18.397 19.000 -0.064 0.000 0.814 377 A HN 0.505 nan 8.150 nan 0.000 0.444 378 D N -0.031 120.279 120.400 -0.150 0.000 2.117 378 D HA -0.120 4.519 4.640 -0.001 0.000 0.197 378 D C 1.894 177.960 176.300 -0.389 0.000 0.987 378 D CA 1.350 55.188 54.000 -0.270 0.000 0.829 378 D CB -0.304 40.298 40.800 -0.329 0.000 0.961 378 D HN 0.485 nan 8.370 nan 0.000 0.460 379 K N 0.319 120.576 120.400 -0.239 0.000 2.009 379 K HA -0.069 4.251 4.320 -0.001 0.000 0.210 379 K C 2.369 179.007 176.600 0.062 0.000 1.049 379 K CA 0.704 56.941 56.287 -0.083 0.000 0.929 379 K CB -0.231 32.477 32.500 0.346 0.000 0.714 379 K HN 0.127 nan 8.250 nan 0.000 0.440 380 L N 0.996 122.227 121.223 0.014 0.000 2.093 380 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 380 L C 2.291 179.161 176.870 0.000 0.000 1.085 380 L CA 1.261 56.078 54.840 -0.038 0.000 0.755 380 L CB -0.272 41.654 42.059 -0.222 0.000 0.904 380 L HN 0.124 nan 8.230 nan 0.000 0.435 381 K N -1.020 119.371 120.400 -0.016 0.000 2.147 381 K HA -0.192 4.128 4.320 -0.001 0.000 0.205 381 K C 2.095 178.791 176.600 0.159 0.000 1.049 381 K CA 1.258 57.568 56.287 0.037 0.000 0.936 381 K CB -0.127 32.381 32.500 0.015 0.000 0.722 381 K HN 0.135 nan 8.250 nan 0.000 0.446 382 Y N 0.546 120.804 120.300 -0.069 0.000 2.293 382 Y HA -0.165 4.384 4.550 -0.001 0.000 0.291 382 Y C 2.184 178.103 175.900 0.032 0.000 1.137 382 Y CA 0.139 58.221 58.100 -0.030 0.000 1.202 382 Y CB -0.621 37.668 38.460 -0.285 0.000 0.990 382 Y HN -0.205 nan 8.280 nan 0.000 0.537 383 V N 0.065 120.103 119.914 0.207 0.000 2.282 383 V HA -0.335 3.785 4.120 -0.001 0.000 0.249 383 V C 2.401 178.503 176.094 0.013 0.000 1.057 383 V CA 1.864 64.234 62.300 0.117 0.000 1.032 383 V CB -0.878 31.009 31.823 0.108 0.000 0.645 383 V HN 0.325 nan 8.190 nan 0.000 0.447 384 L N 0.167 121.402 121.223 0.021 0.000 2.072 384 L HA -0.150 4.190 4.340 -0.001 0.000 0.205 384 L C 2.537 179.389 176.870 -0.030 0.000 1.079 384 L CA 1.860 56.691 54.840 -0.015 0.000 0.752 384 L CB -0.914 41.141 42.059 -0.006 0.000 0.906 384 L HN 0.465 nan 8.230 nan 0.000 0.436 385 N N 1.081 119.786 118.700 0.009 0.000 2.205 385 N HA -0.200 4.540 4.740 -0.001 0.000 0.186 385 N C 1.888 177.339 175.510 -0.098 0.000 1.015 385 N CA 1.212 54.263 53.050 0.003 0.000 0.862 385 N CB 0.047 38.575 38.487 0.069 0.000 0.986 385 N HN 0.346 nan 8.380 nan 0.000 0.429 386 L N -0.315 120.783 121.223 -0.208 0.000 2.291 386 L HA 0.018 4.358 4.340 -0.001 0.000 0.214 386 L C 1.670 178.344 176.870 -0.327 0.000 1.120 386 L CA 0.912 55.518 54.840 -0.389 0.000 0.799 386 L CB -0.293 41.484 42.059 -0.470 0.000 0.925 386 L HN 0.412 nan 8.230 nan 0.000 0.446 387 G N -0.294 108.374 108.800 -0.220 0.000 2.175 387 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.244 387 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.244 387 G C 0.304 175.074 174.900 -0.216 0.000 0.982 387 G CA -0.211 44.766 45.100 -0.206 0.000 0.641 387 G HN 0.179 nan 8.290 nan 0.000 0.527 388 L N 0.608 121.698 121.223 -0.221 0.000 2.467 388 L HA 0.312 4.651 4.340 -0.001 0.000 0.270 388 L C 1.589 178.412 176.870 -0.080 0.000 1.205 388 L CA 0.326 55.067 54.840 -0.165 0.000 0.828 388 L CB 0.480 42.462 42.059 -0.128 0.000 1.101 388 L HN 0.398 nan 8.230 nan 0.000 0.479 389 N N -1.536 117.136 118.700 -0.047 0.000 2.250 389 N HA 0.037 4.776 4.740 -0.001 0.000 0.190 389 N C -0.161 175.362 175.510 0.023 0.000 1.116 389 N CA -0.113 52.931 53.050 -0.010 0.000 0.881 389 N CB 0.745 39.227 38.487 -0.008 0.000 1.006 389 N HN 0.509 nan 8.380 nan 0.000 0.491 390 T N 0.310 114.879 114.554 0.025 0.000 2.916 390 T HA 0.587 4.937 4.350 -0.001 0.000 0.305 390 T C -1.047 173.699 174.700 0.076 0.000 1.119 390 T CA -0.766 61.361 62.100 0.046 0.000 1.008 390 T CB 2.380 71.260 68.868 0.021 0.000 1.129 390 T HN 0.113 nan 8.240 nan 0.000 0.480 391 V N 0.498 120.471 119.914 0.098 0.000 2.604 391 V HA 0.759 4.879 4.120 -0.001 0.000 0.305 391 V C -0.269 175.919 176.094 0.156 0.000 1.043 391 V CA -1.189 61.198 62.300 0.144 0.000 0.888 391 V CB 1.734 33.668 31.823 0.184 0.000 0.995 391 V HN 0.865 nan 8.190 nan 0.000 0.429 392 R N 2.997 123.595 120.500 0.164 0.000 2.404 392 R HA 0.726 5.066 4.340 -0.001 0.000 0.291 392 R C -1.492 174.916 176.300 0.180 0.000 1.025 392 R CA -0.773 55.421 56.100 0.155 0.000 0.991 392 R CB 1.397 31.790 30.300 0.155 0.000 1.053 392 R HN 0.807 nan 8.270 nan 0.000 0.479 393 L N 3.639 124.955 121.223 0.154 0.000 2.337 393 L HA 0.271 4.611 4.340 -0.001 0.000 0.269 393 L C -0.164 176.788 176.870 0.137 0.000 1.018 393 L CA 0.047 54.994 54.840 0.179 0.000 0.876 393 L CB 1.528 43.696 42.059 0.183 0.000 1.236 393 L HN 0.605 nan 8.230 nan 0.000 0.436 394 E N 3.441 123.805 120.200 0.273 0.000 1.858 394 E HA 0.416 4.766 4.350 -0.001 0.000 0.267 394 E C 0.894 177.722 176.600 0.380 0.000 1.215 394 E CA 0.450 57.036 56.400 0.309 0.000 0.952 394 E CB 0.153 30.191 29.700 0.564 0.000 1.058 394 E HN 0.737 nan 8.360 nan 0.000 0.407 395 G N 4.030 112.902 108.800 0.120 0.000 2.645 395 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.246 395 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.246 395 G C -0.083 174.974 174.900 0.260 0.000 1.322 395 G CA 0.121 45.251 45.100 0.050 0.000 0.898 395 G HN 0.976 nan 8.290 nan 0.000 0.573 396 H N -1.963 117.166 119.070 0.099 0.000 2.776 396 H HA -0.162 4.394 4.556 -0.001 0.000 0.300 396 H C 1.192 176.626 175.328 0.177 0.000 1.161 396 H CA 0.817 56.910 56.048 0.075 0.000 1.147 396 H CB -2.116 27.618 29.762 -0.047 0.000 1.366 396 H HN 0.763 nan 8.280 nan 0.000 0.397 397 I N 0.995 121.785 120.570 0.367 0.000 2.741 397 I HA -0.066 4.104 4.170 -0.001 0.000 0.288 397 I C 1.219 177.513 176.117 0.296 0.000 1.192 397 I CA 0.573 62.060 61.300 0.312 0.000 1.426 397 I CB 0.322 38.464 38.000 0.236 0.000 1.367 397 I HN 0.243 nan 8.210 nan 0.000 0.563 398 E N 7.647 127.941 120.200 0.155 0.000 2.392 398 E HA 0.257 4.607 4.350 -0.001 0.000 0.256 398 E C -2.110 174.558 176.600 0.114 0.000 1.145 398 E CA -1.504 54.894 56.400 -0.003 0.000 0.929 398 E CB 0.317 29.682 29.700 -0.559 0.000 0.998 398 E HN 0.324 nan 8.360 nan 0.000 0.442 399 P HA 0.008 nan 4.420 nan 0.000 0.270 399 P C 0.009 177.298 177.300 -0.018 0.000 1.223 399 P CA -0.056 62.942 63.100 -0.169 0.000 0.785 399 P CB 0.445 31.775 31.700 -0.616 0.000 0.923 400 D N 0.879 121.309 120.400 0.051 0.000 2.192 400 D HA -0.242 4.398 4.640 -0.001 0.000 0.189 400 D C 1.507 177.912 176.300 0.175 0.000 1.007 400 D CA 1.820 55.917 54.000 0.162 0.000 0.859 400 D CB -0.425 40.467 40.800 0.154 0.000 0.936 400 D HN 0.536 nan 8.370 nan 0.000 0.447 401 E N -0.598 119.678 120.200 0.126 0.000 2.171 401 E HA -0.158 4.191 4.350 -0.001 0.000 0.197 401 E C 1.774 178.534 176.600 0.266 0.000 0.997 401 E CA 0.505 57.041 56.400 0.227 0.000 0.810 401 E CB -0.361 29.557 29.700 0.363 0.000 0.738 401 E HN 0.407 nan 8.360 nan 0.000 0.467 402 F N -0.242 119.765 119.950 0.095 0.000 2.171 402 F HA -0.180 4.346 4.527 -0.001 0.000 0.300 402 F C 1.492 177.107 175.800 -0.308 0.000 1.090 402 F CA 1.291 59.255 58.000 -0.059 0.000 1.293 402 F CB -0.056 38.828 39.000 -0.194 0.000 1.013 402 F HN -0.037 nan 8.300 nan 0.000 0.486 403 F N 0.537 120.475 119.950 -0.020 0.000 2.259 403 F HA -0.117 4.410 4.527 -0.001 0.000 0.298 403 F C 2.273 177.943 175.800 -0.217 0.000 1.088 403 F CA 1.132 58.953 58.000 -0.298 0.000 1.358 403 F CB -0.824 37.772 39.000 -0.674 0.000 1.040 403 F HN -0.075 nan 8.300 nan 0.000 0.505 404 D N 0.607 121.053 120.400 0.077 0.000 2.104 404 D HA -0.173 4.467 4.640 -0.001 0.000 0.194 404 D C 2.419 178.770 176.300 0.085 0.000 0.994 404 D CA 1.443 55.551 54.000 0.180 0.000 0.830 404 D CB -0.386 40.529 40.800 0.192 0.000 0.959 404 D HN 0.245 nan 8.370 nan 0.000 0.452 405 I N 1.099 121.667 120.570 -0.004 0.000 2.252 405 I HA -0.228 3.942 4.170 -0.001 0.000 0.245 405 I C 2.537 178.592 176.117 -0.103 0.000 1.102 405 I CA 0.908 62.173 61.300 -0.057 0.000 1.385 405 I CB -0.228 37.711 38.000 -0.102 0.000 1.064 405 I HN -0.090 nan 8.210 nan 0.000 0.414 406 A N 0.795 123.473 122.820 -0.237 0.000 1.892 406 A HA -0.275 4.045 4.320 -0.001 0.000 0.218 406 A C 1.969 179.615 177.584 0.104 0.000 1.188 406 A CA 2.273 54.203 52.037 -0.179 0.000 0.631 406 A CB -0.709 18.099 19.000 -0.321 0.000 0.822 406 A HN 0.365 nan 8.150 nan 0.000 0.447 407 D N 0.237 120.736 120.400 0.164 0.000 2.092 407 D HA -0.150 4.489 4.640 -0.001 0.000 0.193 407 D C 1.444 178.012 176.300 0.448 0.000 0.994 407 D CA 1.646 55.853 54.000 0.345 0.000 0.828 407 D CB -0.564 40.373 40.800 0.227 0.000 0.963 407 D HN 0.389 nan 8.370 nan 0.000 0.450 408 D N 0.022 120.551 120.400 0.215 0.000 2.149 408 D HA -0.080 4.559 4.640 -0.001 0.000 0.198 408 D C 2.176 178.522 176.300 0.077 0.000 0.990 408 D CA 0.474 54.552 54.000 0.131 0.000 0.839 408 D CB -0.161 40.677 40.800 0.063 0.000 0.948 408 D HN 0.250 nan 8.370 nan 0.000 0.460 409 L N -0.977 120.283 121.223 0.062 0.000 2.446 409 L HA 0.184 4.523 4.340 -0.001 0.000 0.219 409 L C 1.303 178.174 176.870 0.002 0.000 1.116 409 L CA 0.413 55.258 54.840 0.009 0.000 0.844 409 L CB 0.043 42.092 42.059 -0.016 0.000 0.970 409 L HN 0.101 nan 8.230 nan 0.000 0.457 410 G N 0.948 109.806 108.800 0.096 0.000 2.182 410 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.248 410 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.248 410 G C -0.047 174.930 174.900 0.127 0.000 1.042 410 G CA -0.003 45.119 45.100 0.036 0.000 0.775 410 G HN 0.089 nan 8.290 nan 0.000 0.501 411 V N 1.461 121.471 119.914 0.159 0.000 2.432 411 V HA 0.504 4.623 4.120 -0.001 0.000 0.275 411 V C 1.198 177.398 176.094 0.177 0.000 1.043 411 V CA -0.690 61.672 62.300 0.103 0.000 0.925 411 V CB 1.408 33.229 31.823 -0.003 0.000 0.985 411 V HN 0.370 nan 8.190 nan 0.000 0.466 412 L N 4.936 126.264 121.223 0.175 0.000 2.417 412 L HA 0.514 4.854 4.340 -0.001 0.000 0.268 412 L C 0.650 177.584 176.870 0.108 0.000 1.158 412 L CA 0.063 54.999 54.840 0.160 0.000 0.819 412 L CB 0.979 43.113 42.059 0.125 0.000 1.112 412 L HN 0.829 nan 8.230 nan 0.000 0.458 413 T N -0.050 114.583 114.554 0.131 0.000 2.893 413 T HA 0.654 5.003 4.350 -0.001 0.000 0.291 413 T C -0.391 174.407 174.700 0.163 0.000 1.028 413 T CA -0.840 61.370 62.100 0.183 0.000 0.995 413 T CB 1.760 70.841 68.868 0.354 0.000 1.051 413 T HN 0.489 nan 8.240 nan 0.000 0.470 414 M N 3.348 123.041 119.600 0.155 0.000 2.634 414 M HA 0.305 4.785 4.480 -0.001 0.000 0.211 414 M C -2.551 173.797 176.300 0.080 0.000 1.019 414 M CA -1.916 53.462 55.300 0.130 0.000 0.834 414 M CB 1.307 33.987 32.600 0.133 0.000 1.376 414 M HN 0.454 nan 8.290 nan 0.000 0.465 415 P HA 0.558 nan 4.420 nan 0.000 0.274 415 P C -0.012 176.868 177.300 -0.701 0.000 1.246 415 P CA 0.223 63.233 63.100 -0.150 0.000 0.795 415 P CB 1.530 33.221 31.700 -0.016 0.000 1.006 416 G N -0.463 107.728 108.800 -1.015 0.000 2.349 416 G HA2 0.305 4.264 3.960 -0.001 0.000 0.294 416 G HA3 0.305 4.264 3.960 -0.001 0.000 0.294 416 G C -1.814 172.462 174.900 -1.041 0.000 1.380 416 G CA -1.005 43.054 45.100 -1.736 0.000 0.811 416 G HN 0.393 nan 8.290 nan 0.000 0.519 417 W N 0.733 121.622 121.300 -0.685 0.000 2.049 417 W HA 0.483 5.143 4.660 -0.001 0.000 0.356 417 W C 1.114 177.421 176.519 -0.353 0.000 1.323 417 W CA -0.352 56.624 57.345 -0.614 0.000 1.336 417 W CB 0.619 29.754 29.460 -0.542 0.000 1.176 417 W HN 0.693 nan 8.180 nan 0.000 0.623 418 E N 0.561 120.737 120.200 -0.039 0.000 2.222 418 E HA 0.477 4.826 4.350 -0.001 0.000 0.267 418 E C -0.204 176.479 176.600 0.139 0.000 0.963 418 E CA -1.002 55.424 56.400 0.044 0.000 0.837 418 E CB 1.315 30.993 29.700 -0.036 0.000 1.183 418 E HN 0.552 nan 8.360 nan 0.000 0.403 419 C N -0.212 119.175 119.300 0.145 0.000 2.411 419 C HA 0.497 4.957 4.460 -0.001 0.000 0.358 419 C C 1.068 176.142 174.990 0.140 0.000 1.349 419 C CA 0.103 59.224 59.018 0.171 0.000 2.326 419 C CB -0.349 27.484 27.740 0.155 0.000 2.166 419 C HN 1.066 nan 8.230 nan 0.000 0.609 420 C N 1.141 120.525 119.300 0.141 0.000 4.465 420 C HA -0.057 4.402 4.460 -0.001 0.000 0.274 420 C C 0.054 175.079 174.990 0.058 0.000 1.337 420 C CA 1.403 60.473 59.018 0.087 0.000 1.822 420 C CB -3.589 24.194 27.740 0.072 0.000 1.357 420 C HN 1.207 nan 8.230 nan 0.000 0.753 421 D N -1.540 118.914 120.400 0.090 0.000 3.455 421 D HA 0.412 5.051 4.640 -0.001 0.000 0.320 421 D C 0.644 176.989 176.300 0.074 0.000 1.401 421 D CA -0.053 53.982 54.000 0.058 0.000 0.982 421 D CB -0.093 40.725 40.800 0.031 0.000 1.397 421 D HN -0.158 nan 8.370 nan 0.000 0.607 422 K N -0.457 119.935 120.400 -0.013 0.000 2.074 422 K HA -0.082 4.237 4.320 -0.001 0.000 0.209 422 K C 1.780 178.413 176.600 0.055 0.000 1.048 422 K CA 1.825 58.051 56.287 -0.102 0.000 0.926 422 K CB -0.686 31.591 32.500 -0.372 0.000 0.713 422 K HN 0.531 nan 8.250 nan 0.000 0.444 423 W N 1.021 122.389 121.300 0.113 0.000 2.325 423 W HA -0.137 4.523 4.660 -0.001 0.000 0.299 423 W C 1.449 178.138 176.519 0.284 0.000 1.215 423 W CA 1.550 59.017 57.345 0.203 0.000 1.244 423 W CB -0.008 29.494 29.460 0.070 0.000 1.140 423 W HN 0.218 nan 8.180 nan 0.000 0.523 424 E N -0.962 119.450 120.200 0.353 0.000 2.538 424 E HA 0.107 4.457 4.350 -0.001 0.000 0.207 424 E C 2.144 178.751 176.600 0.012 0.000 1.002 424 E CA 0.184 56.684 56.400 0.167 0.000 0.952 424 E CB 0.178 29.999 29.700 0.202 0.000 1.031 424 E HN 0.250 nan 8.360 nan 0.000 0.476 425 G N 1.511 110.377 108.800 0.110 0.000 2.501 425 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.220 425 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.220 425 G C 1.565 176.431 174.900 -0.057 0.000 1.114 425 G CA 0.671 45.803 45.100 0.052 0.000 0.757 425 G HN 0.126 nan 8.290 nan 0.000 0.559 426 Q N -0.028 119.610 119.800 -0.271 0.000 2.384 426 Q HA 0.142 4.482 4.340 -0.001 0.000 0.207 426 Q C 1.954 177.777 176.000 -0.295 0.000 0.904 426 Q CA 1.009 56.591 55.803 -0.368 0.000 0.933 426 Q CB 0.347 28.591 28.738 -0.824 0.000 1.077 426 Q HN 0.437 nan 8.270 nan 0.000 0.522 427 V N -2.877 116.860 119.914 -0.295 0.000 3.451 427 V HA 0.264 4.383 4.120 -0.001 0.000 0.288 427 V C 0.800 176.553 176.094 -0.568 0.000 1.502 427 V CA 0.525 62.659 62.300 -0.278 0.000 1.026 427 V CB -0.650 31.093 31.823 -0.134 0.000 0.840 427 V HN 0.464 nan 8.190 nan 0.000 0.437 428 N N 0.693 118.996 118.700 -0.662 0.000 2.280 428 N HA 0.382 5.122 4.740 -0.001 0.000 0.192 428 N C 1.348 176.454 175.510 -0.674 0.000 1.109 428 N CA 0.527 52.875 53.050 -1.170 0.000 0.855 428 N CB 0.748 38.799 38.487 -0.727 0.000 0.974 428 N HN 0.634 nan 8.380 nan 0.000 0.482 429 G N 3.156 111.718 108.800 -0.396 0.000 2.634 429 G HA2 -0.466 3.493 3.960 -0.001 0.000 0.318 429 G HA3 -0.466 3.493 3.960 -0.001 0.000 0.318 429 G C 0.699 175.510 174.900 -0.148 0.000 1.207 429 G CA 0.747 45.717 45.100 -0.217 0.000 0.987 429 G HN 0.564 nan 8.290 nan 0.000 0.547 430 E N 1.730 121.866 120.200 -0.107 0.000 2.418 430 E HA 0.065 4.415 4.350 -0.001 0.000 0.197 430 E C 1.099 177.663 176.600 -0.059 0.000 1.026 430 E CA 1.120 57.482 56.400 -0.064 0.000 0.862 430 E CB 0.040 29.717 29.700 -0.038 0.000 0.799 430 E HN 0.627 nan 8.360 nan 0.000 0.518 431 E N 2.197 122.349 120.200 -0.081 0.000 2.373 431 E HA 0.038 4.387 4.350 -0.001 0.000 0.263 431 E C -0.262 176.312 176.600 -0.044 0.000 1.073 431 E CA -0.708 55.661 56.400 -0.051 0.000 0.894 431 E CB 0.670 30.350 29.700 -0.033 0.000 1.008 431 E HN -0.280 nan 8.360 nan 0.000 0.420 432 K N 1.890 122.279 120.400 -0.019 0.000 2.559 432 K HA 0.351 4.671 4.320 -0.001 0.000 0.279 432 K C 0.178 176.771 176.600 -0.012 0.000 0.967 432 K CA 1.017 57.296 56.287 -0.013 0.000 1.000 432 K CB -0.196 32.302 32.500 -0.002 0.000 0.890 432 K HN 0.817 nan 8.250 nan 0.000 0.501 433 G N 1.930 110.721 108.800 -0.015 0.000 3.239 433 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.666 433 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.666 433 G C -1.133 173.764 174.900 -0.006 0.000 1.313 433 G CA -0.925 44.172 45.100 -0.005 0.000 1.001 433 G HN 0.428 nan 8.290 nan 0.000 0.573 434 E N 3.285 123.481 120.200 -0.006 0.000 2.301 434 E HA 0.401 4.750 4.350 -0.001 0.000 0.275 434 E C -2.131 174.514 176.600 0.076 0.000 1.030 434 E CA -1.679 54.722 56.400 0.001 0.000 0.852 434 E CB 1.358 31.036 29.700 -0.036 0.000 1.060 434 E HN 0.288 nan 8.360 nan 0.000 0.401 435 P HA -0.124 nan 4.420 nan 0.000 0.266 435 P C -0.939 176.487 177.300 0.211 0.000 1.186 435 P CA 0.252 63.413 63.100 0.102 0.000 0.767 435 P CB 0.346 32.069 31.700 0.039 0.000 0.820 436 W N 2.311 123.531 121.300 -0.134 0.000 2.251 436 W HA 0.321 4.981 4.660 -0.001 0.000 0.329 436 W C 0.178 176.660 176.519 -0.061 0.000 1.234 436 W CA -0.258 56.968 57.345 -0.197 0.000 1.228 436 W CB -0.119 29.084 29.460 -0.429 0.000 1.135 436 W HN 0.134 nan 8.180 nan 0.000 0.576 437 V N 0.080 120.053 119.914 0.097 0.000 3.302 437 V HA 0.433 4.553 4.120 -0.001 0.000 0.316 437 V C 0.995 177.227 176.094 0.229 0.000 1.111 437 V CA -0.669 61.704 62.300 0.121 0.000 1.029 437 V CB 1.272 33.103 31.823 0.013 0.000 1.170 437 V HN 0.529 nan 8.190 nan 0.000 0.452 438 E N 1.260 121.572 120.200 0.187 0.000 2.110 438 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 438 E C 2.314 179.016 176.600 0.170 0.000 0.988 438 E CA 1.858 58.388 56.400 0.217 0.000 0.804 438 E CB -0.455 29.287 29.700 0.071 0.000 0.745 438 E HN 0.989 nan 8.360 nan 0.000 0.458 439 S N 0.895 116.615 115.700 0.033 0.000 2.474 439 S HA -0.119 4.350 4.470 -0.001 0.000 0.235 439 S C 1.355 175.874 174.600 -0.134 0.000 0.997 439 S CA 0.924 59.098 58.200 -0.044 0.000 0.949 439 S CB -0.016 63.132 63.200 -0.087 0.000 0.766 439 S HN 0.042 nan 8.310 nan 0.000 0.517 440 D N 0.672 120.936 120.400 -0.227 0.000 2.183 440 D HA 0.001 4.641 4.640 -0.001 0.000 0.203 440 D C 1.433 177.398 176.300 -0.558 0.000 0.969 440 D CA 0.940 54.582 54.000 -0.598 0.000 0.842 440 D CB -0.347 39.836 40.800 -1.029 0.000 0.957 440 D HN 0.519 nan 8.370 nan 0.000 0.484 441 Y N 1.028 121.249 120.300 -0.131 0.000 2.114 441 Y HA -0.105 4.445 4.550 -0.001 0.000 0.284 441 Y C -0.326 175.550 175.900 -0.040 0.000 1.143 441 Y CA 1.191 59.303 58.100 0.019 0.000 1.135 441 Y CB -1.715 36.798 38.460 0.088 0.000 0.980 441 Y HN 0.141 nan 8.280 nan 0.000 0.499 442 P HA -0.105 nan 4.420 nan 0.000 0.221 442 P C 1.345 178.632 177.300 -0.021 0.000 1.150 442 P CA 1.533 64.650 63.100 0.028 0.000 0.800 442 P CB -0.102 31.603 31.700 0.008 0.000 0.787 443 I N 0.014 120.521 120.570 -0.105 0.000 2.252 443 I HA -0.189 3.981 4.170 -0.001 0.000 0.245 443 I C 2.510 178.560 176.117 -0.113 0.000 1.102 443 I CA 1.439 62.656 61.300 -0.138 0.000 1.385 443 I CB -0.740 37.107 38.000 -0.255 0.000 1.064 443 I HN -0.089 nan 8.210 nan 0.000 0.414 444 A N 0.415 123.127 122.820 -0.180 0.000 1.929 444 A HA -0.199 4.121 4.320 -0.001 0.000 0.216 444 A C 2.372 180.138 177.584 0.304 0.000 1.176 444 A CA 1.451 53.487 52.037 -0.001 0.000 0.628 444 A CB -0.386 18.596 19.000 -0.029 0.000 0.816 444 A HN 0.296 nan 8.150 nan 0.000 0.444 445 K N -0.250 120.270 120.400 0.201 0.000 2.025 445 K HA -0.040 4.280 4.320 -0.001 0.000 0.207 445 K C 2.164 178.894 176.600 0.217 0.000 1.049 445 K CA 1.091 57.519 56.287 0.235 0.000 0.933 445 K CB -0.310 32.272 32.500 0.137 0.000 0.714 445 K HN 0.346 nan 8.250 nan 0.000 0.438 446 A N 0.571 123.468 122.820 0.129 0.000 1.978 446 A HA -0.150 4.169 4.320 -0.001 0.000 0.220 446 A C 2.094 179.789 177.584 0.185 0.000 1.170 446 A CA 2.075 54.182 52.037 0.117 0.000 0.636 446 A CB -0.512 18.506 19.000 0.030 0.000 0.810 446 A HN 0.351 nan 8.150 nan 0.000 0.448 447 S N -0.984 114.846 115.700 0.217 0.000 2.368 447 S HA -0.162 4.308 4.470 -0.001 0.000 0.224 447 S C 1.963 176.772 174.600 0.348 0.000 1.029 447 S CA 1.739 60.120 58.200 0.302 0.000 0.988 447 S CB -0.336 63.071 63.200 0.345 0.000 0.838 447 S HN 0.583 nan 8.310 nan 0.000 0.462 448 M N 1.128 120.964 119.600 0.393 0.000 2.086 448 M HA -0.033 4.447 4.480 -0.001 0.000 0.261 448 M C 1.717 178.003 176.300 -0.024 0.000 1.067 448 M CA 1.461 56.887 55.300 0.210 0.000 1.116 448 M CB -0.715 32.082 32.600 0.328 0.000 1.348 448 M HN 0.298 nan 8.290 nan 0.000 0.407 449 F N -0.119 119.818 119.950 -0.023 0.000 2.095 449 F HA -0.203 4.323 4.527 -0.001 0.000 0.298 449 F C 2.243 177.979 175.800 -0.107 0.000 1.104 449 F CA 2.074 60.026 58.000 -0.080 0.000 1.232 449 F CB -0.701 38.274 39.000 -0.041 0.000 0.987 449 F HN 0.161 nan 8.300 nan 0.000 0.475 450 S N 0.047 115.758 115.700 0.018 0.000 2.368 450 S HA -0.174 4.295 4.470 -0.001 0.000 0.225 450 S C 1.896 176.394 174.600 -0.171 0.000 1.030 450 S CA 1.371 59.533 58.200 -0.063 0.000 0.999 450 S CB -0.323 62.913 63.200 0.060 0.000 0.844 450 S HN 0.416 nan 8.310 nan 0.000 0.459 451 E N 1.460 121.555 120.200 -0.175 0.000 2.047 451 E HA -0.014 4.335 4.350 -0.001 0.000 0.191 451 E C 2.438 178.753 176.600 -0.476 0.000 0.987 451 E CA 1.031 57.251 56.400 -0.300 0.000 0.799 451 E CB -0.612 28.842 29.700 -0.410 0.000 0.752 451 E HN 0.448 nan 8.360 nan 0.000 0.449 452 A N 1.638 124.064 122.820 -0.657 0.000 1.917 452 A HA -0.293 4.026 4.320 -0.001 0.000 0.219 452 A C 2.162 179.530 177.584 -0.361 0.000 1.182 452 A CA 2.141 53.772 52.037 -0.677 0.000 0.633 452 A CB -0.621 17.972 19.000 -0.678 0.000 0.819 452 A HN 0.372 nan 8.150 nan 0.000 0.448 453 E N -0.486 119.404 120.200 -0.516 0.000 2.031 453 E HA -0.217 4.133 4.350 -0.001 0.000 0.193 453 E C 2.287 178.745 176.600 -0.237 0.000 0.994 453 E CA 1.063 57.186 56.400 -0.462 0.000 0.800 453 E CB -0.191 29.135 29.700 -0.624 0.000 0.752 453 E HN 0.562 nan 8.360 nan 0.000 0.447 454 R N -0.155 120.239 120.500 -0.177 0.000 2.117 454 R HA -0.127 4.212 4.340 -0.001 0.000 0.243 454 R C 2.376 178.672 176.300 -0.006 0.000 1.143 454 R CA 1.374 57.435 56.100 -0.065 0.000 0.968 454 R CB -0.153 30.114 30.300 -0.055 0.000 0.863 454 R HN 0.344 nan 8.270 nan 0.000 0.444 455 L N -0.013 121.171 121.223 -0.065 0.000 2.515 455 L HA 0.081 4.420 4.340 -0.001 0.000 0.223 455 L C 2.325 179.237 176.870 0.070 0.000 1.079 455 L CA 0.047 54.879 54.840 -0.014 0.000 0.857 455 L CB -0.165 41.807 42.059 -0.146 0.000 1.050 455 L HN 0.133 nan 8.230 nan 0.000 0.476 456 R N -0.183 120.348 120.500 0.051 0.000 2.170 456 R HA -0.180 4.160 4.340 -0.001 0.000 0.242 456 R C 0.430 176.641 176.300 -0.148 0.000 1.145 456 R CA 1.763 57.822 56.100 -0.067 0.000 0.984 456 R CB -0.477 29.776 30.300 -0.077 0.000 0.869 456 R HN 0.202 nan 8.270 nan 0.000 0.455 457 D N -0.154 120.159 120.400 -0.145 0.000 2.395 457 D HA 0.096 4.735 4.640 -0.001 0.000 0.213 457 D C -0.468 175.670 176.300 -0.269 0.000 1.110 457 D CA 0.112 54.010 54.000 -0.171 0.000 0.835 457 D CB 0.169 40.889 40.800 -0.133 0.000 0.965 457 D HN 0.278 nan 8.370 nan 0.000 0.505 458 H N 1.077 120.081 119.070 -0.111 0.000 2.640 458 H HA 0.137 4.693 4.556 -0.001 0.000 0.297 458 H C -1.430 173.731 175.328 -0.278 0.000 1.073 458 H CA -1.471 54.495 56.048 -0.136 0.000 1.305 458 H CB 1.681 31.410 29.762 -0.056 0.000 1.404 458 H HN -0.026 nan 8.280 nan 0.000 0.459 459 P HA -0.144 nan 4.420 nan 0.000 0.222 459 P C 1.443 178.161 177.300 -0.971 0.000 1.147 459 P CA 0.824 63.428 63.100 -0.827 0.000 0.790 459 P CB 0.338 31.131 31.700 -1.511 0.000 0.780 460 S N -0.445 114.883 115.700 -0.620 0.000 2.382 460 S HA -0.063 4.406 4.470 -0.001 0.000 0.228 460 S C 1.159 175.735 174.600 -0.040 0.000 1.027 460 S CA 0.475 58.546 58.200 -0.215 0.000 0.991 460 S CB -1.682 61.562 63.200 0.074 0.000 0.823 460 S HN -0.047 nan 8.310 nan 0.000 0.469 461 V N 3.995 123.903 119.914 -0.011 0.000 2.493 461 V HA 0.111 4.231 4.120 -0.001 0.000 0.292 461 V C 1.291 177.388 176.094 0.005 0.000 1.016 461 V CA 0.330 62.659 62.300 0.049 0.000 1.097 461 V CB 0.018 31.860 31.823 0.031 0.000 0.947 461 V HN 0.628 nan 8.190 nan 0.000 0.479 462 I N 2.179 122.789 120.570 0.065 0.000 4.070 462 I HA 0.368 4.538 4.170 -0.001 0.000 0.328 462 I C 0.698 176.935 176.117 0.201 0.000 1.298 462 I CA 0.180 61.541 61.300 0.103 0.000 1.173 462 I CB 0.423 38.465 38.000 0.070 0.000 1.051 462 I HN 0.654 nan 8.210 nan 0.000 0.409 463 S N -0.139 115.676 115.700 0.192 0.000 2.627 463 S HA 0.543 5.012 4.470 -0.001 0.000 0.268 463 S C -1.456 173.295 174.600 0.252 0.000 1.130 463 S CA -0.733 57.594 58.200 0.211 0.000 0.819 463 S CB 1.656 64.976 63.200 0.199 0.000 1.100 463 S HN 0.179 nan 8.310 nan 0.000 0.465 464 F N 1.902 121.880 119.950 0.046 0.000 2.507 464 F HA 0.472 4.999 4.527 -0.001 0.000 0.328 464 F C -0.080 175.593 175.800 -0.213 0.000 1.136 464 F CA -0.370 57.552 58.000 -0.130 0.000 0.930 464 F CB 1.353 40.158 39.000 -0.325 0.000 1.166 464 F HN 0.757 nan 8.300 nan 0.000 0.436 465 H N 7.837 126.528 119.070 -0.631 0.000 2.864 465 H HA 0.202 4.757 4.556 -0.001 0.000 0.281 465 H C 1.213 176.256 175.328 -0.475 0.000 1.093 465 H CA 0.455 56.252 56.048 -0.418 0.000 1.453 465 H CB 1.180 30.726 29.762 -0.360 0.000 1.462 465 H HN 0.786 nan 8.280 nan 0.000 0.480 466 I N 0.677 121.225 120.570 -0.037 0.000 3.578 466 I HA 0.289 4.458 4.170 -0.001 0.000 0.295 466 I C 0.939 177.229 176.117 0.289 0.000 1.280 466 I CA 0.022 61.386 61.300 0.107 0.000 1.347 466 I CB 0.556 38.701 38.000 0.242 0.000 1.051 466 I HN 0.318 nan 8.210 nan 0.000 0.460 467 G N -0.511 108.411 108.800 0.204 0.000 2.684 467 G HA2 0.490 4.449 3.960 -0.001 0.000 0.290 467 G HA3 0.490 4.449 3.960 -0.001 0.000 0.290 467 G C -0.716 174.278 174.900 0.158 0.000 1.425 467 G CA 0.125 45.366 45.100 0.235 0.000 0.822 467 G HN -0.054 nan 8.290 nan 0.000 0.482 468 S N -1.332 114.452 115.700 0.139 0.000 3.214 468 S HA 0.161 4.631 4.470 -0.001 0.000 0.182 468 S C 1.416 176.030 174.600 0.023 0.000 0.728 468 S CA 0.943 59.175 58.200 0.053 0.000 0.814 468 S CB -0.004 63.233 63.200 0.061 0.000 0.859 468 S HN 0.462 nan 8.310 nan 0.000 0.647 469 D N 0.515 120.942 120.400 0.044 0.000 2.103 469 D HA 0.170 4.809 4.640 -0.001 0.000 0.199 469 D C -0.173 175.980 176.300 -0.245 0.000 0.978 469 D CA 0.986 54.934 54.000 -0.085 0.000 0.829 469 D CB -0.045 40.755 40.800 0.000 0.000 0.981 469 D HN 0.281 nan 8.370 nan 0.000 0.464 470 F N 0.473 120.453 119.950 0.050 0.000 2.436 470 F HA 0.556 5.083 4.527 -0.001 0.000 0.340 470 F C 0.587 176.428 175.800 0.070 0.000 1.113 470 F CA -1.364 56.664 58.000 0.046 0.000 1.022 470 F CB 1.292 40.308 39.000 0.027 0.000 1.128 470 F HN -0.201 nan 8.300 nan 0.000 0.466 471 A N 5.221 128.153 122.820 0.187 0.000 2.425 471 A HA 0.457 4.776 4.320 -0.001 0.000 0.242 471 A C -2.254 175.434 177.584 0.174 0.000 1.077 471 A CA -1.196 50.937 52.037 0.160 0.000 0.781 471 A CB -0.467 18.595 19.000 0.104 0.000 1.020 471 A HN 0.449 nan 8.150 nan 0.000 0.494 472 P HA 0.182 nan 4.420 nan 0.000 0.272 472 P C -0.767 176.558 177.300 0.042 0.000 1.230 472 P CA -0.267 62.897 63.100 0.106 0.000 0.788 472 P CB 0.482 32.294 31.700 0.187 0.000 0.949 473 D N 0.221 120.599 120.400 -0.037 0.000 2.414 473 D HA 0.053 4.693 4.640 -0.001 0.000 0.251 473 D C 1.337 177.623 176.300 -0.022 0.000 1.252 473 D CA -0.436 53.545 54.000 -0.032 0.000 0.999 473 D CB 0.417 41.177 40.800 -0.067 0.000 1.093 473 D HN 0.340 nan 8.370 nan 0.000 0.515 474 R N -0.531 119.960 120.500 -0.016 0.000 2.092 474 R HA -0.118 4.222 4.340 -0.001 0.000 0.231 474 R C 2.272 178.559 176.300 -0.021 0.000 1.119 474 R CA 1.010 57.105 56.100 -0.009 0.000 0.970 474 R CB -0.096 30.199 30.300 -0.009 0.000 0.864 474 R HN 0.532 nan 8.270 nan 0.000 0.440 475 R N 0.548 121.027 120.500 -0.035 0.000 2.062 475 R HA -0.078 4.262 4.340 -0.001 0.000 0.231 475 R C 2.249 178.536 176.300 -0.022 0.000 1.136 475 R CA 1.792 57.870 56.100 -0.038 0.000 0.948 475 R CB -0.271 29.987 30.300 -0.069 0.000 0.845 475 R HN 0.278 nan 8.270 nan 0.000 0.430 476 I N 0.667 121.204 120.570 -0.054 0.000 2.179 476 I HA -0.246 3.923 4.170 -0.001 0.000 0.242 476 I C 2.562 178.503 176.117 -0.294 0.000 1.088 476 I CA 1.487 62.658 61.300 -0.214 0.000 1.357 476 I CB -0.504 37.241 38.000 -0.424 0.000 1.051 476 I HN 0.400 nan 8.210 nan 0.000 0.409 477 E N 0.865 121.012 120.200 -0.087 0.000 2.085 477 E HA -0.336 4.014 4.350 -0.001 0.000 0.194 477 E C 2.181 178.818 176.600 0.061 0.000 0.994 477 E CA 1.554 57.989 56.400 0.059 0.000 0.801 477 E CB 0.020 29.777 29.700 0.095 0.000 0.743 477 E HN 0.324 nan 8.360 nan 0.000 0.453 478 Q N 0.005 119.815 119.800 0.017 0.000 2.124 478 Q HA -0.077 4.263 4.340 -0.001 0.000 0.202 478 Q C 1.936 177.958 176.000 0.037 0.000 0.977 478 Q CA 1.917 57.738 55.803 0.030 0.000 0.850 478 Q CB -0.722 28.021 28.738 0.008 0.000 0.901 478 Q HN 0.359 nan 8.270 nan 0.000 0.429 479 G N -0.929 107.866 108.800 -0.008 0.000 2.418 479 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.217 479 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.217 479 G C 0.876 175.842 174.900 0.111 0.000 1.158 479 G CA 1.017 46.122 45.100 0.009 0.000 0.771 479 G HN 0.376 nan 8.290 nan 0.000 0.545 480 Y N 0.725 121.122 120.300 0.161 0.000 2.163 480 Y HA 0.079 4.629 4.550 -0.001 0.000 0.288 480 Y C 2.841 178.787 175.900 0.076 0.000 1.136 480 Y CA 0.253 58.443 58.100 0.150 0.000 1.147 480 Y CB -0.864 37.725 38.460 0.216 0.000 0.987 480 Y HN 0.067 nan 8.280 nan 0.000 0.509 481 L N -0.439 120.918 121.223 0.224 0.000 2.046 481 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 481 L C 1.992 178.929 176.870 0.112 0.000 1.077 481 L CA 1.481 56.404 54.840 0.138 0.000 0.747 481 L CB -0.569 41.555 42.059 0.108 0.000 0.896 481 L HN 0.126 nan 8.230 nan 0.000 0.432 482 D N 0.325 120.789 120.400 0.107 0.000 2.097 482 D HA -0.149 4.491 4.640 -0.001 0.000 0.195 482 D C 2.260 178.630 176.300 0.118 0.000 0.989 482 D CA 1.533 55.586 54.000 0.089 0.000 0.827 482 D CB -0.117 40.720 40.800 0.063 0.000 0.966 482 D HN 0.293 nan 8.370 nan 0.000 0.456 483 A N 0.793 123.707 122.820 0.155 0.000 1.865 483 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 483 A C 2.310 180.014 177.584 0.200 0.000 1.191 483 A CA 1.827 53.999 52.037 0.224 0.000 0.623 483 A CB -0.679 18.473 19.000 0.254 0.000 0.826 483 A HN 0.160 nan 8.150 nan 0.000 0.444 484 M N -0.867 118.777 119.600 0.072 0.000 2.080 484 M HA -0.191 4.288 4.480 -0.001 0.000 0.260 484 M C 2.308 178.669 176.300 0.101 0.000 1.068 484 M CA 2.207 57.514 55.300 0.010 0.000 1.109 484 M CB -0.403 32.188 32.600 -0.015 0.000 1.342 484 M HN 0.518 nan 8.290 nan 0.000 0.405 485 K N 0.721 121.185 120.400 0.107 0.000 2.059 485 K HA -0.220 4.099 4.320 -0.001 0.000 0.212 485 K C 1.867 178.535 176.600 0.113 0.000 1.050 485 K CA 1.884 58.229 56.287 0.097 0.000 0.927 485 K CB -0.197 32.350 32.500 0.079 0.000 0.714 485 K HN 0.325 nan 8.250 nan 0.000 0.447 486 A N 0.349 123.263 122.820 0.158 0.000 2.015 486 A HA 0.010 4.330 4.320 -0.001 0.000 0.219 486 A C 2.039 179.815 177.584 0.321 0.000 1.163 486 A CA 1.572 53.739 52.037 0.218 0.000 0.646 486 A CB -0.413 18.702 19.000 0.192 0.000 0.806 486 A HN 0.485 nan 8.150 nan 0.000 0.448 487 A N -1.225 121.710 122.820 0.192 0.000 2.275 487 A HA 0.298 4.618 4.320 -0.001 0.000 0.212 487 A C 0.411 177.896 177.584 -0.164 0.000 1.201 487 A CA 0.641 52.591 52.037 -0.145 0.000 0.843 487 A CB -0.139 18.540 19.000 -0.534 0.000 0.873 487 A HN 0.382 nan 8.150 nan 0.000 0.492 488 D N -1.834 118.568 120.400 0.004 0.000 2.811 488 D HA -0.210 4.429 4.640 -0.001 0.000 0.231 488 D C -0.259 176.045 176.300 0.006 0.000 1.157 488 D CA 0.844 54.865 54.000 0.035 0.000 0.716 488 D CB -1.707 39.173 40.800 0.132 0.000 1.077 488 D HN 0.557 nan 8.370 nan 0.000 0.428 489 F N 0.719 120.585 119.950 -0.141 0.000 2.466 489 F HA 0.232 4.759 4.527 -0.001 0.000 0.363 489 F C 1.057 176.798 175.800 -0.098 0.000 1.109 489 F CA -0.133 57.774 58.000 -0.155 0.000 1.161 489 F CB 0.324 39.191 39.000 -0.221 0.000 1.117 489 F HN -0.032 nan 8.300 nan 0.000 0.539 490 L N 7.206 128.181 121.223 -0.414 0.000 3.014 490 L HA 0.269 4.608 4.340 -0.001 0.000 0.263 490 L C -0.128 176.566 176.870 -0.295 0.000 1.207 490 L CA -0.170 54.532 54.840 -0.230 0.000 1.017 490 L CB -0.227 41.738 42.059 -0.158 0.000 1.360 490 L HN 0.510 nan 8.230 nan 0.000 0.560 491 L N 0.359 121.241 121.223 -0.569 0.000 2.456 491 L HA 0.316 4.656 4.340 -0.001 0.000 0.257 491 L C -1.862 174.976 176.870 -0.054 0.000 1.162 491 L CA -1.817 52.818 54.840 -0.342 0.000 0.808 491 L CB 0.068 41.822 42.059 -0.509 0.000 1.136 491 L HN -0.169 nan 8.230 nan 0.000 0.466 492 P HA -0.005 nan 4.420 nan 0.000 0.262 492 P C -1.010 176.317 177.300 0.045 0.000 1.182 492 P CA 0.064 63.160 63.100 -0.008 0.000 0.761 492 P CB 0.422 32.090 31.700 -0.055 0.000 0.795 493 V N 5.800 125.728 119.914 0.023 0.000 2.350 493 V HA 0.245 4.365 4.120 -0.001 0.000 0.276 493 V C 0.305 176.347 176.094 -0.087 0.000 1.028 493 V CA -0.499 61.817 62.300 0.028 0.000 0.860 493 V CB 0.945 32.813 31.823 0.074 0.000 0.990 493 V HN 0.351 nan 8.190 nan 0.000 0.453 494 I N 8.334 128.775 120.570 -0.215 0.000 2.336 494 I HA 0.349 4.519 4.170 -0.001 0.000 0.292 494 I C -1.174 174.837 176.117 -0.176 0.000 0.991 494 I CA -2.657 58.446 61.300 -0.328 0.000 1.227 494 I CB 1.607 39.155 38.000 -0.754 0.000 1.366 494 I HN 0.362 nan 8.210 nan 0.000 0.466 495 P HA 0.003 nan 4.420 nan 0.000 0.217 495 P C 0.255 177.600 177.300 0.075 0.000 1.151 495 P CA 1.114 64.233 63.100 0.031 0.000 0.828 495 P CB 0.904 32.621 31.700 0.028 0.000 0.788 496 A N -1.652 121.210 122.820 0.070 0.000 2.588 496 A HA 0.683 5.002 4.320 -0.001 0.000 0.290 496 A C 0.389 178.075 177.584 0.171 0.000 1.136 496 A CA 0.068 52.174 52.037 0.115 0.000 0.681 496 A CB 0.593 19.619 19.000 0.042 0.000 1.282 496 A HN -0.046 nan 8.150 nan 0.000 0.421 497 A N -0.239 122.636 122.820 0.092 0.000 2.197 497 A HA 0.469 4.789 4.320 -0.001 0.000 0.210 497 A C 1.399 178.975 177.584 -0.014 0.000 1.180 497 A CA 1.298 53.347 52.037 0.020 0.000 0.846 497 A CB -0.664 18.232 19.000 -0.174 0.000 0.884 497 A HN 1.843 nan 8.150 nan 0.000 0.487 498 S N -0.668 115.010 115.700 -0.037 0.000 2.652 498 S HA 0.538 5.007 4.470 -0.001 0.000 0.267 498 S C 1.136 175.720 174.600 -0.027 0.000 1.201 498 S CA 0.100 58.268 58.200 -0.054 0.000 0.996 498 S CB 1.006 64.129 63.200 -0.128 0.000 1.054 498 S HN 0.911 nan 8.310 nan 0.000 0.561 499 A N -0.179 122.628 122.820 -0.023 0.000 2.235 499 A HA 0.194 4.514 4.320 -0.001 0.000 0.208 499 A C 0.961 178.538 177.584 -0.011 0.000 1.172 499 A CA -0.144 51.894 52.037 0.002 0.000 0.786 499 A CB -0.618 18.400 19.000 0.031 0.000 0.804 499 A HN 0.713 nan 8.150 nan 0.000 0.479 500 R N 1.345 121.819 120.500 -0.044 0.000 2.401 500 R HA 0.239 4.579 4.340 -0.001 0.000 0.299 500 R C -2.522 173.778 176.300 0.001 0.000 1.064 500 R CA -1.434 54.645 56.100 -0.035 0.000 1.000 500 R CB 0.292 30.539 30.300 -0.089 0.000 0.973 500 R HN 0.259 nan 8.270 nan 0.000 0.438 501 P HA 0.049 nan 4.420 nan 0.000 0.276 501 P C -0.662 176.660 177.300 0.036 0.000 1.244 501 P CA -0.491 62.622 63.100 0.021 0.000 0.801 501 P CB 1.354 33.066 31.700 0.020 0.000 1.006 502 S N 0.763 116.486 115.700 0.038 0.000 2.690 502 S HA 0.499 4.968 4.470 -0.001 0.000 0.291 502 S C -1.915 172.707 174.600 0.037 0.000 1.138 502 S CA -1.397 56.833 58.200 0.050 0.000 1.013 502 S CB 0.861 64.102 63.200 0.068 0.000 1.053 502 S HN 0.187 nan 8.310 nan 0.000 0.539 503 P HA 0.091 nan 4.420 nan 0.000 0.217 503 P C 0.955 178.268 177.300 0.023 0.000 1.151 503 P CA 0.915 64.029 63.100 0.025 0.000 0.828 503 P CB -0.015 31.697 31.700 0.019 0.000 0.788 504 I N -2.049 118.539 120.570 0.030 0.000 2.681 504 I HA -0.064 4.105 4.170 -0.001 0.000 0.247 504 I C 1.932 178.064 176.117 0.026 0.000 1.091 504 I CA 1.134 62.450 61.300 0.028 0.000 1.442 504 I CB -1.159 36.862 38.000 0.034 0.000 1.219 504 I HN -0.179 nan 8.210 nan 0.000 0.451 505 T N 0.434 115.008 114.554 0.032 0.000 2.904 505 T HA 0.176 4.526 4.350 -0.001 0.000 0.267 505 T C 1.064 175.769 174.700 0.007 0.000 1.059 505 T CA 1.099 63.211 62.100 0.021 0.000 1.137 505 T CB -0.295 68.589 68.868 0.027 0.000 0.879 505 T HN 0.673 nan 8.240 nan 0.000 0.467 506 G N 1.060 109.868 108.800 0.012 0.000 2.464 506 G HA2 0.148 4.107 3.960 -0.001 0.000 0.216 506 G HA3 0.148 4.107 3.960 -0.001 0.000 0.216 506 G C -0.020 174.881 174.900 0.002 0.000 1.186 506 G CA -0.378 44.726 45.100 0.007 0.000 1.010 506 G HN 0.813 nan 8.290 nan 0.000 0.585 507 A N -0.103 122.716 122.820 -0.002 0.000 2.520 507 A HA 0.561 4.881 4.320 -0.001 0.000 0.235 507 A C 1.852 179.424 177.584 -0.021 0.000 1.065 507 A CA 1.666 53.702 52.037 -0.003 0.000 0.764 507 A CB 0.250 19.251 19.000 0.001 0.000 1.002 507 A HN 2.394 nan 8.150 nan 0.000 0.502 508 S N 1.900 117.589 115.700 -0.018 0.000 2.425 508 S HA 0.296 4.765 4.470 -0.001 0.000 0.225 508 S C 1.555 176.116 174.600 -0.066 0.000 1.024 508 S CA 1.101 59.276 58.200 -0.042 0.000 0.951 508 S CB -0.531 62.660 63.200 -0.016 0.000 0.796 508 S HN 2.628 nan 8.310 nan 0.000 0.498 509 G N 1.392 110.178 108.800 -0.023 0.000 2.153 509 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.252 509 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.252 509 G C -0.012 174.906 174.900 0.030 0.000 0.994 509 G CA 0.970 46.070 45.100 -0.001 0.000 0.698 509 G HN 0.589 nan 8.290 nan 0.000 0.521 510 M N -1.352 118.263 119.600 0.026 0.000 2.745 510 M HA 0.705 5.185 4.480 -0.001 0.000 0.290 510 M C -0.189 176.140 176.300 0.048 0.000 1.262 510 M CA -0.985 54.362 55.300 0.078 0.000 0.795 510 M CB 2.303 34.935 32.600 0.053 0.000 1.758 510 M HN 0.241 nan 8.290 nan 0.000 0.461 511 K N 0.477 120.894 120.400 0.028 0.000 2.527 511 K HA 0.668 4.988 4.320 -0.001 0.000 0.260 511 K C -1.614 174.961 176.600 -0.042 0.000 0.937 511 K CA -0.744 55.526 56.287 -0.028 0.000 0.826 511 K CB 2.743 35.170 32.500 -0.122 0.000 1.359 511 K HN 0.822 nan 8.250 nan 0.000 0.434 512 M N 3.807 123.392 119.600 -0.025 0.000 2.488 512 M HA 0.279 4.759 4.480 -0.001 0.000 0.204 512 M C -0.955 175.390 176.300 0.074 0.000 0.969 512 M CA -0.413 54.882 55.300 -0.008 0.000 0.720 512 M CB 0.314 32.906 32.600 -0.013 0.000 1.427 512 M HN 0.667 nan 8.290 nan 0.000 0.427 513 N N 1.374 120.107 118.700 0.056 0.000 2.270 513 N HA 0.262 5.002 4.740 -0.001 0.000 0.198 513 N C 0.722 176.359 175.510 0.213 0.000 1.117 513 N CA 0.826 53.963 53.050 0.146 0.000 0.845 513 N CB 0.712 39.276 38.487 0.127 0.000 0.980 513 N HN 0.816 nan 8.380 nan 0.000 0.486 514 G N 1.478 110.372 108.800 0.156 0.000 2.750 514 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.228 514 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.228 514 G C -2.815 172.072 174.900 -0.023 0.000 1.367 514 G CA -0.739 44.383 45.100 0.037 0.000 0.871 514 G HN 0.139 nan 8.290 nan 0.000 0.560 515 P HA 0.499 nan 4.420 nan 0.000 0.282 515 P C -0.527 176.651 177.300 -0.204 0.000 1.287 515 P CA 0.014 63.071 63.100 -0.071 0.000 0.792 515 P CB 0.549 32.074 31.700 -0.292 0.000 1.163 516 Y N -2.709 117.715 120.300 0.206 0.000 2.729 516 Y HA 0.317 4.866 4.550 -0.001 0.000 0.266 516 Y C 0.439 176.590 175.900 0.418 0.000 1.064 516 Y CA -0.105 58.121 58.100 0.211 0.000 1.251 516 Y CB 0.922 39.507 38.460 0.207 0.000 1.379 516 Y HN 0.222 nan 8.280 nan 0.000 0.569 517 D N -1.743 118.961 120.400 0.507 0.000 2.752 517 D HA 0.105 4.744 4.640 -0.001 0.000 0.313 517 D C -1.276 175.210 176.300 0.309 0.000 1.225 517 D CA -0.837 53.450 54.000 0.477 0.000 0.976 517 D CB 1.333 42.478 40.800 0.576 0.000 1.443 517 D HN -0.173 nan 8.370 nan 0.000 0.515 518 Y N 1.261 121.707 120.300 0.243 0.000 2.805 518 Y HA 0.233 4.782 4.550 -0.001 0.000 0.331 518 Y C -0.038 175.912 175.900 0.083 0.000 1.241 518 Y CA 0.632 58.860 58.100 0.213 0.000 1.546 518 Y CB 0.022 38.626 38.460 0.240 0.000 1.248 518 Y HN 0.098 nan 8.280 nan 0.000 0.559 519 V N 5.674 125.036 119.914 -0.920 0.000 3.007 519 V HA 0.743 4.862 4.120 -0.001 0.000 0.311 519 V C -2.911 172.557 176.094 -1.044 0.000 1.120 519 V CA -2.605 59.154 62.300 -0.902 0.000 0.980 519 V CB 2.021 33.099 31.823 -1.242 0.000 1.033 519 V HN 0.625 nan 8.190 nan 0.000 0.429 520 P HA 0.436 nan 4.420 nan 0.000 0.278 520 P C -2.440 174.775 177.300 -0.142 0.000 1.266 520 P CA -1.783 61.179 63.100 -0.230 0.000 0.807 520 P CB 0.681 32.352 31.700 -0.048 0.000 1.094 521 P HA -0.174 nan 4.420 nan 0.000 0.216 521 P C 1.705 179.135 177.300 0.218 0.000 1.157 521 P CA 1.103 64.264 63.100 0.102 0.000 0.880 521 P CB -0.297 31.185 31.700 -0.363 0.000 0.791 522 V N -1.507 118.475 119.914 0.113 0.000 2.720 522 V HA -0.244 3.876 4.120 -0.001 0.000 0.256 522 V C 2.209 178.450 176.094 0.246 0.000 1.082 522 V CA 1.350 63.810 62.300 0.267 0.000 1.101 522 V CB -1.323 30.591 31.823 0.153 0.000 0.693 522 V HN 0.040 nan 8.190 nan 0.000 0.479 523 Y N -0.144 120.093 120.300 -0.106 0.000 2.151 523 Y HA -0.316 4.234 4.550 -0.001 0.000 0.284 523 Y C 1.929 177.764 175.900 -0.110 0.000 1.166 523 Y CA 2.429 60.390 58.100 -0.231 0.000 1.163 523 Y CB -0.429 37.648 38.460 -0.638 0.000 0.974 523 Y HN 0.436 nan 8.280 nan 0.000 0.511 524 W N -1.486 119.983 121.300 0.281 0.000 2.374 524 W HA -0.207 4.453 4.660 -0.001 0.000 0.288 524 W C 1.604 178.056 176.519 -0.111 0.000 1.218 524 W CA 0.951 58.350 57.345 0.090 0.000 1.245 524 W CB -0.797 28.674 29.460 0.019 0.000 1.126 524 W HN 0.063 nan 8.180 nan 0.000 0.545 525 Y N 0.351 120.815 120.300 0.274 0.000 2.632 525 Y HA -0.037 4.512 4.550 -0.001 0.000 0.301 525 Y C 0.654 176.610 175.900 0.094 0.000 1.172 525 Y CA 0.289 58.488 58.100 0.165 0.000 1.328 525 Y CB -0.818 37.731 38.460 0.148 0.000 1.016 525 Y HN -0.204 nan 8.280 nan 0.000 0.529 526 D N 0.342 120.834 120.400 0.154 0.000 2.351 526 D HA 0.101 4.741 4.640 -0.001 0.000 0.251 526 D C 0.486 176.821 176.300 0.059 0.000 1.137 526 D CA 0.168 54.203 54.000 0.059 0.000 0.879 526 D CB 0.746 41.536 40.800 -0.018 0.000 1.181 526 D HN 0.081 nan 8.370 nan 0.000 0.448 527 K N 1.505 121.856 120.400 -0.081 0.000 2.438 527 K HA 0.034 4.353 4.320 -0.001 0.000 0.206 527 K C 1.414 177.738 176.600 -0.460 0.000 1.081 527 K CA 0.086 56.208 56.287 -0.275 0.000 1.053 527 K CB 0.610 32.998 32.500 -0.186 0.000 0.908 527 K HN 0.433 nan 8.250 nan 0.000 0.556 528 S N 0.464 115.933 115.700 -0.385 0.000 2.425 528 S HA 0.005 4.475 4.470 -0.001 0.000 0.225 528 S C 0.781 175.079 174.600 -0.503 0.000 1.024 528 S CA 0.300 58.245 58.200 -0.424 0.000 0.951 528 S CB 0.136 63.105 63.200 -0.385 0.000 0.796 528 S HN 0.042 nan 8.310 nan 0.000 0.498 529 Q N 1.811 121.266 119.800 -0.575 0.000 2.398 529 Q HA 0.323 4.662 4.340 -0.001 0.000 0.251 529 Q C -0.149 175.722 176.000 -0.215 0.000 0.999 529 Q CA -0.206 55.302 55.803 -0.492 0.000 0.874 529 Q CB 1.543 29.817 28.738 -0.774 0.000 1.215 529 Q HN 0.664 nan 8.270 nan 0.000 0.470 530 K N -0.419 119.857 120.400 -0.206 0.000 2.487 530 K HA 0.056 4.376 4.320 -0.001 0.000 0.192 530 K C 0.129 176.879 176.600 0.250 0.000 1.027 530 K CA 0.579 56.811 56.287 -0.091 0.000 1.054 530 K CB 0.478 32.797 32.500 -0.301 0.000 0.824 530 K HN 0.131 nan 8.250 nan 0.000 0.510 531 D N 0.490 120.986 120.400 0.160 0.000 2.368 531 D HA 0.094 4.734 4.640 -0.001 0.000 0.218 531 D C 0.021 176.454 176.300 0.221 0.000 1.112 531 D CA 0.052 54.164 54.000 0.187 0.000 0.834 531 D CB 0.428 41.301 40.800 0.122 0.000 0.953 531 D HN 0.035 nan 8.370 nan 0.000 0.505 532 R N -0.550 120.111 120.500 0.267 0.000 2.944 532 R HA 0.611 4.950 4.340 -0.001 0.000 0.233 532 R C 1.056 177.479 176.300 0.206 0.000 1.346 532 R CA -0.843 55.416 56.100 0.265 0.000 1.082 532 R CB -0.021 30.427 30.300 0.248 0.000 1.434 532 R HN -0.094 nan 8.270 nan 0.000 0.510 533 G N -0.326 108.602 108.800 0.213 0.000 3.707 533 G HA2 0.230 4.190 3.960 -0.001 0.000 0.286 533 G HA3 0.230 4.190 3.960 -0.001 0.000 0.286 533 G C 0.475 175.472 174.900 0.163 0.000 1.112 533 G CA -0.024 45.163 45.100 0.145 0.000 0.861 533 G HN 0.557 nan 8.290 nan 0.000 0.534 534 G N -0.211 108.605 108.800 0.027 0.000 2.716 534 G HA2 0.420 4.380 3.960 -0.001 0.000 0.251 534 G HA3 0.420 4.380 3.960 -0.001 0.000 0.251 534 G C 0.637 175.441 174.900 -0.159 0.000 1.224 534 G CA 0.155 45.300 45.100 0.075 0.000 0.891 534 G HN 0.643 nan 8.290 nan 0.000 0.561 535 A N 1.530 124.245 122.820 -0.174 0.000 2.899 535 A HA 0.520 4.840 4.320 -0.001 0.000 0.287 535 A C -0.175 177.331 177.584 -0.131 0.000 1.715 535 A CA -0.235 51.407 52.037 -0.659 0.000 1.393 535 A CB -1.078 17.584 19.000 -0.563 0.000 1.070 535 A HN 0.979 nan 8.150 nan 0.000 0.587 536 W N -0.270 120.905 121.300 -0.208 0.000 3.319 536 W HA 0.518 5.177 4.660 -0.001 0.000 0.300 536 W C -0.181 176.349 176.519 0.019 0.000 1.244 536 W CA -0.109 57.195 57.345 -0.068 0.000 1.193 536 W CB -0.213 29.211 29.460 -0.060 0.000 1.359 536 W HN 1.068 nan 8.180 nan 0.000 0.568 537 S N 0.518 116.366 115.700 0.247 0.000 3.368 537 S HA -0.294 4.175 4.470 -0.001 0.000 0.632 537 S C -0.881 173.786 174.600 0.112 0.000 2.690 537 S CA 1.089 59.388 58.200 0.166 0.000 3.124 537 S CB -1.248 62.019 63.200 0.111 0.000 0.317 537 S HN 1.020 nan 8.310 nan 0.000 1.617 538 F N 2.625 122.563 119.950 -0.020 0.000 2.347 538 F HA 0.489 5.015 4.527 -0.001 0.000 0.366 538 F C 0.091 175.857 175.800 -0.056 0.000 1.107 538 F CA -0.772 57.241 58.000 0.022 0.000 1.058 538 F CB 0.734 39.786 39.000 0.085 0.000 1.236 538 F HN 0.486 nan 8.300 nan 0.000 0.456 539 N N 3.326 121.949 118.700 -0.129 0.000 2.421 539 N HA -0.020 4.720 4.740 -0.001 0.000 0.260 539 N C 1.006 176.455 175.510 -0.102 0.000 1.173 539 N CA 0.278 53.243 53.050 -0.141 0.000 0.960 539 N CB 1.126 39.489 38.487 -0.207 0.000 1.273 539 N HN 0.722 nan 8.380 nan 0.000 0.497 540 S N 1.525 117.270 115.700 0.075 0.000 2.489 540 S HA -0.056 4.414 4.470 -0.001 0.000 0.228 540 S C 0.103 174.609 174.600 -0.156 0.000 0.995 540 S CA 0.324 58.586 58.200 0.104 0.000 0.934 540 S CB -0.139 63.104 63.200 0.071 0.000 0.771 540 S HN 0.677 nan 8.310 nan 0.000 0.522 541 E N -0.809 119.192 120.200 -0.333 0.000 2.642 541 E HA 0.434 4.784 4.350 -0.001 0.000 0.374 541 E C -0.991 175.157 176.600 -0.754 0.000 0.961 541 E CA -0.546 55.485 56.400 -0.616 0.000 0.748 541 E CB 0.395 29.314 29.700 -1.301 0.000 1.516 541 E HN 0.022 nan 8.360 nan 0.000 0.388 542 T N 0.856 115.053 114.554 -0.594 0.000 2.942 542 T HA 0.721 5.071 4.350 -0.001 0.000 0.327 542 T C -1.535 172.836 174.700 -0.547 0.000 1.360 542 T CA 0.274 61.976 62.100 -0.664 0.000 1.055 542 T CB 1.837 70.467 68.868 -0.398 0.000 1.261 542 T HN 0.907 nan 8.240 nan 0.000 0.485 543 S N 1.635 117.089 115.700 -0.410 0.000 2.672 543 S HA 0.747 5.217 4.470 -0.001 0.000 0.271 543 S C 0.103 174.797 174.600 0.156 0.000 1.171 543 S CA -0.157 57.865 58.200 -0.296 0.000 0.817 543 S CB 0.956 63.685 63.200 -0.786 0.000 1.150 543 S HN 1.338 nan 8.310 nan 0.000 0.478 544 A N -0.081 122.930 122.820 0.318 0.000 2.460 544 A HA 0.740 5.060 4.320 -0.001 0.000 0.258 544 A C 1.444 179.273 177.584 0.409 0.000 1.300 544 A CA 0.732 52.971 52.037 0.336 0.000 0.913 544 A CB -1.445 17.761 19.000 0.342 0.000 1.031 544 A HN 2.498 nan 8.150 nan 0.000 0.512 545 G N -0.838 108.218 108.800 0.427 0.000 2.972 545 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.265 545 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.265 545 G C 0.202 175.307 174.900 0.341 0.000 1.506 545 G CA -0.200 45.204 45.100 0.506 0.000 1.016 545 G HN 0.826 nan 8.290 nan 0.000 0.563 546 V N 2.908 122.937 119.914 0.191 0.000 2.599 546 V HA 0.370 4.489 4.120 -0.001 0.000 0.300 546 V C -0.284 175.725 176.094 -0.143 0.000 1.034 546 V CA 1.050 63.278 62.300 -0.120 0.000 1.115 546 V CB 1.284 32.774 31.823 -0.556 0.000 0.934 546 V HN 0.541 nan 8.190 nan 0.000 0.485 547 D N 4.817 125.163 120.400 -0.090 0.000 2.400 547 D HA 0.263 4.902 4.640 -0.001 0.000 0.272 547 D C -0.254 176.005 176.300 -0.067 0.000 1.220 547 D CA -0.446 53.542 54.000 -0.021 0.000 0.897 547 D CB 1.163 42.023 40.800 0.099 0.000 1.134 547 D HN 0.237 nan 8.370 nan 0.000 0.507 548 I N 3.220 123.715 120.570 -0.124 0.000 2.662 548 I HA 0.037 4.207 4.170 -0.001 0.000 0.285 548 I C -1.872 174.244 176.117 -0.002 0.000 1.161 548 I CA -1.424 59.848 61.300 -0.046 0.000 1.415 548 I CB -0.440 37.564 38.000 0.008 0.000 1.385 548 I HN -0.027 nan 8.210 nan 0.000 0.552 549 P HA 0.148 nan 4.420 nan 0.000 0.279 549 P C -0.098 177.216 177.300 0.022 0.000 1.282 549 P CA -0.420 62.680 63.100 0.000 0.000 0.788 549 P CB 0.124 31.810 31.700 -0.023 0.000 1.139 550 T N -2.498 112.070 114.554 0.023 0.000 2.903 550 T HA 0.009 4.359 4.350 -0.001 0.000 0.314 550 T C 1.293 176.015 174.700 0.036 0.000 1.078 550 T CA -0.249 61.870 62.100 0.031 0.000 1.114 550 T CB -0.095 68.788 68.868 0.025 0.000 0.987 550 T HN 0.218 nan 8.240 nan 0.000 0.548 551 M N 1.288 120.907 119.600 0.032 0.000 2.144 551 M HA -0.103 4.376 4.480 -0.001 0.000 0.260 551 M C 1.332 177.646 176.300 0.023 0.000 1.067 551 M CA 1.794 57.111 55.300 0.028 0.000 1.095 551 M CB -1.269 31.338 32.600 0.013 0.000 1.365 551 M HN 0.834 nan 8.290 nan 0.000 0.406 552 D N -1.475 118.936 120.400 0.019 0.000 2.178 552 D HA -0.121 4.519 4.640 -0.001 0.000 0.202 552 D C 1.741 178.059 176.300 0.030 0.000 0.974 552 D CA 1.805 55.810 54.000 0.009 0.000 0.841 552 D CB -0.159 40.639 40.800 -0.003 0.000 0.953 552 D HN 0.394 nan 8.370 nan 0.000 0.478 553 T N 0.374 114.972 114.554 0.074 0.000 2.770 553 T HA -0.017 4.332 4.350 -0.001 0.000 0.263 553 T C 2.054 176.812 174.700 0.097 0.000 1.039 553 T CA 0.350 62.542 62.100 0.154 0.000 1.142 553 T CB -0.302 68.657 68.868 0.152 0.000 0.868 553 T HN 0.078 nan 8.240 nan 0.000 0.435 554 L N 0.691 121.941 121.223 0.045 0.000 1.991 554 L HA -0.258 4.081 4.340 -0.001 0.000 0.221 554 L C 2.589 179.488 176.870 0.049 0.000 1.079 554 L CA 1.749 56.604 54.840 0.026 0.000 0.778 554 L CB -0.492 41.592 42.059 0.041 0.000 0.893 554 L HN 0.231 nan 8.230 nan 0.000 0.437 555 K N -0.594 119.837 120.400 0.051 0.000 2.280 555 K HA -0.128 4.191 4.320 -0.001 0.000 0.202 555 K C 2.083 178.720 176.600 0.062 0.000 1.047 555 K CA 0.951 57.270 56.287 0.054 0.000 0.942 555 K CB -0.022 32.490 32.500 0.020 0.000 0.739 555 K HN 0.303 nan 8.250 nan 0.000 0.457 556 R N 0.129 120.671 120.500 0.070 0.000 2.246 556 R HA 0.065 4.405 4.340 -0.001 0.000 0.199 556 R C 2.064 178.519 176.300 0.259 0.000 0.984 556 R CA 0.880 57.032 56.100 0.088 0.000 1.015 556 R CB 0.080 30.389 30.300 0.014 0.000 0.930 556 R HN 0.306 nan 8.270 nan 0.000 0.475 557 M N -2.188 117.529 119.600 0.195 0.000 2.331 557 M HA 0.375 4.854 4.480 -0.001 0.000 0.266 557 M C 0.089 176.301 176.300 -0.146 0.000 1.055 557 M CA 0.588 55.891 55.300 0.005 0.000 1.048 557 M CB 0.880 33.285 32.600 -0.326 0.000 1.460 557 M HN -0.159 nan 8.290 nan 0.000 0.519 558 M N 1.287 120.911 119.600 0.041 0.000 2.531 558 M HA 0.421 4.901 4.480 -0.001 0.000 0.286 558 M C -0.442 175.947 176.300 0.148 0.000 1.232 558 M CA -0.769 54.487 55.300 -0.073 0.000 0.877 558 M CB 2.770 35.324 32.600 -0.077 0.000 1.726 558 M HN 0.245 nan 8.290 nan 0.000 0.463 559 S N 0.858 116.581 115.700 0.040 0.000 2.600 559 S HA 0.516 4.985 4.470 -0.001 0.000 0.265 559 S C 1.135 175.797 174.600 0.103 0.000 1.325 559 S CA -0.120 58.181 58.200 0.169 0.000 1.002 559 S CB 1.155 64.423 63.200 0.114 0.000 0.921 559 S HN 0.813 nan 8.310 nan 0.000 0.554 560 A N 1.718 124.601 122.820 0.104 0.000 1.917 560 A HA -0.136 4.184 4.320 -0.001 0.000 0.219 560 A C 2.538 180.160 177.584 0.062 0.000 1.182 560 A CA 2.477 54.562 52.037 0.080 0.000 0.633 560 A CB -1.800 17.242 19.000 0.070 0.000 0.819 560 A HN 1.375 nan 8.150 nan 0.000 0.448 561 S N -0.441 115.284 115.700 0.041 0.000 2.368 561 S HA -0.188 4.281 4.470 -0.001 0.000 0.224 561 S C 1.737 176.330 174.600 -0.013 0.000 1.029 561 S CA 1.435 59.641 58.200 0.009 0.000 0.988 561 S CB -0.507 62.693 63.200 -0.000 0.000 0.838 561 S HN 0.646 nan 8.310 nan 0.000 0.462 562 E N 1.078 121.273 120.200 -0.009 0.000 2.085 562 E HA -0.063 4.287 4.350 -0.001 0.000 0.194 562 E C 2.066 178.656 176.600 -0.017 0.000 0.994 562 E CA 1.542 57.928 56.400 -0.024 0.000 0.801 562 E CB -0.354 29.327 29.700 -0.032 0.000 0.743 562 E HN 0.535 nan 8.360 nan 0.000 0.453 563 L N 0.443 121.679 121.223 0.023 0.000 2.217 563 L HA -0.144 4.196 4.340 -0.001 0.000 0.211 563 L C 2.110 179.052 176.870 0.119 0.000 1.107 563 L CA 0.807 55.688 54.840 0.068 0.000 0.783 563 L CB -0.144 41.977 42.059 0.103 0.000 0.919 563 L HN 0.111 nan 8.230 nan 0.000 0.442 564 D N -0.478 119.962 120.400 0.066 0.000 2.097 564 D HA -0.172 4.467 4.640 -0.001 0.000 0.195 564 D C 2.051 178.128 176.300 -0.372 0.000 0.989 564 D CA 1.603 55.586 54.000 -0.028 0.000 0.827 564 D CB 0.200 40.986 40.800 -0.023 0.000 0.966 564 D HN 0.075 nan 8.370 nan 0.000 0.456 565 T N 0.225 114.637 114.554 -0.236 0.000 2.708 565 T HA -0.208 4.142 4.350 -0.001 0.000 0.266 565 T C 1.928 176.452 174.700 -0.293 0.000 1.037 565 T CA 1.388 63.331 62.100 -0.262 0.000 1.146 565 T CB -0.403 68.374 68.868 -0.150 0.000 0.865 565 T HN 0.229 nan 8.240 nan 0.000 0.435 566 M N 0.812 120.285 119.600 -0.211 0.000 2.088 566 M HA -0.165 4.315 4.480 -0.001 0.000 0.256 566 M C 2.330 178.352 176.300 -0.462 0.000 1.071 566 M CA 2.185 57.344 55.300 -0.235 0.000 1.097 566 M CB -0.295 32.225 32.600 -0.133 0.000 1.315 566 M HN 0.645 nan 8.290 nan 0.000 0.406 567 W N 0.400 121.345 121.300 -0.592 0.000 2.494 567 W HA -0.014 4.645 4.660 -0.001 0.000 0.286 567 W C 1.473 177.769 176.519 -0.372 0.000 1.218 567 W CA 0.561 57.408 57.345 -0.830 0.000 1.313 567 W CB -0.888 28.235 29.460 -0.563 0.000 1.105 567 W HN 0.178 nan 8.180 nan 0.000 0.561 568 K N 0.649 120.396 120.400 -1.088 0.000 2.062 568 K HA -0.145 4.175 4.320 -0.001 0.000 0.205 568 K C 0.457 176.803 176.600 -0.423 0.000 1.051 568 K CA 1.143 56.866 56.287 -0.941 0.000 0.941 568 K CB -0.257 31.617 32.500 -1.044 0.000 0.719 568 K HN -0.084 nan 8.250 nan 0.000 0.440 569 N N 0.096 118.591 118.700 -0.342 0.000 2.790 569 N HA 0.171 4.911 4.740 -0.001 0.000 0.256 569 N C -2.536 172.894 175.510 -0.132 0.000 1.409 569 N CA -2.025 50.910 53.050 -0.192 0.000 0.799 569 N CB 1.264 39.649 38.487 -0.169 0.000 1.170 569 N HN -0.225 nan 8.380 nan 0.000 0.507 570 P HA -0.043 nan 4.420 nan 0.000 0.221 570 P C 0.870 178.178 177.300 0.013 0.000 1.145 570 P CA 0.958 64.057 63.100 -0.001 0.000 0.795 570 P CB 0.408 32.179 31.700 0.119 0.000 0.775 571 S N -0.813 114.883 115.700 -0.005 0.000 2.447 571 S HA 0.037 4.507 4.470 -0.001 0.000 0.233 571 S C 1.190 175.781 174.600 -0.016 0.000 1.006 571 S CA 0.533 58.732 58.200 -0.001 0.000 0.957 571 S CB -0.690 62.507 63.200 -0.005 0.000 0.773 571 S HN 0.189 nan 8.310 nan 0.000 0.507 572 A N 1.780 124.578 122.820 -0.037 0.000 2.407 572 A HA 0.301 4.621 4.320 -0.001 0.000 0.248 572 A C 0.268 177.835 177.584 -0.028 0.000 1.082 572 A CA -0.240 51.773 52.037 -0.039 0.000 0.785 572 A CB 0.178 19.142 19.000 -0.061 0.000 1.020 572 A HN 0.318 nan 8.150 nan 0.000 0.489 573 K N 1.305 121.694 120.400 -0.019 0.000 2.401 573 K HA 0.166 4.486 4.320 -0.001 0.000 0.278 573 K C -0.437 176.163 176.600 0.001 0.000 1.018 573 K CA 0.203 56.485 56.287 -0.008 0.000 0.981 573 K CB 0.330 32.833 32.500 0.005 0.000 0.933 573 K HN 0.587 nan 8.250 nan 0.000 0.477 574 Q N 2.444 122.245 119.800 0.002 0.000 2.325 574 Q HA 0.058 4.398 4.340 -0.001 0.000 0.270 574 Q C 0.035 176.072 176.000 0.061 0.000 1.020 574 Q CA -0.323 55.493 55.803 0.022 0.000 0.785 574 Q CB 1.280 30.008 28.738 -0.018 0.000 1.259 574 Q HN 0.634 nan 8.270 nan 0.000 0.452 575 Y N 2.902 123.182 120.300 -0.035 0.000 2.256 575 Y HA -0.201 4.349 4.550 -0.001 0.000 0.288 575 Y C 1.365 177.213 175.900 -0.086 0.000 1.155 575 Y CA 1.988 60.054 58.100 -0.056 0.000 1.203 575 Y CB 0.407 38.817 38.460 -0.083 0.000 0.980 575 Y HN 0.670 nan 8.280 nan 0.000 0.530 576 H N -0.811 118.222 119.070 -0.063 0.000 2.533 576 H HA 0.112 4.667 4.556 -0.001 0.000 0.271 576 H C 1.810 177.021 175.328 -0.196 0.000 1.000 576 H CA 0.492 56.378 56.048 -0.271 0.000 1.149 576 H CB 0.351 29.800 29.762 -0.522 0.000 1.375 576 H HN 0.314 nan 8.280 nan 0.000 0.582 577 R N 0.669 121.077 120.500 -0.153 0.000 1.963 577 R HA 0.065 4.404 4.340 -0.001 0.000 0.193 577 R C 0.197 176.270 176.300 -0.379 0.000 1.437 577 R CA 0.593 56.425 56.100 -0.448 0.000 1.176 577 R CB 0.273 30.273 30.300 -0.501 0.000 0.864 577 R HN 0.035 nan 8.270 nan 0.000 0.495 578 S N -1.619 113.917 115.700 -0.272 0.000 2.541 578 S HA 0.240 4.709 4.470 -0.001 0.000 0.271 578 S C 0.299 174.864 174.600 -0.058 0.000 1.133 578 S CA -0.233 57.887 58.200 -0.132 0.000 0.876 578 S CB 1.669 64.810 63.200 -0.098 0.000 1.105 578 S HN 0.498 nan 8.310 nan 0.000 0.470 579 S N 2.296 117.973 115.700 -0.038 0.000 2.419 579 S HA -0.004 4.465 4.470 -0.001 0.000 0.233 579 S C 1.101 175.719 174.600 0.030 0.000 1.016 579 S CA 0.900 59.094 58.200 -0.010 0.000 0.974 579 S CB -0.479 62.708 63.200 -0.022 0.000 0.786 579 S HN 0.856 nan 8.310 nan 0.000 0.492 580 S N 1.361 117.106 115.700 0.075 0.000 2.549 580 S HA 0.081 4.551 4.470 -0.001 0.000 0.283 580 S C 0.659 175.260 174.600 0.002 0.000 1.320 580 S CA -0.528 57.719 58.200 0.078 0.000 1.058 580 S CB 0.312 63.634 63.200 0.203 0.000 0.882 580 S HN 0.270 nan 8.310 nan 0.000 0.498 581 D N 3.619 124.001 120.400 -0.029 0.000 2.178 581 D HA -0.067 4.572 4.640 -0.001 0.000 0.201 581 D C 1.787 177.996 176.300 -0.151 0.000 0.980 581 D CA 1.436 55.401 54.000 -0.059 0.000 0.842 581 D CB -0.413 40.367 40.800 -0.032 0.000 0.948 581 D HN 0.702 nan 8.370 nan 0.000 0.472 582 T N 0.052 114.433 114.554 -0.288 0.000 2.746 582 T HA -0.120 4.229 4.350 -0.001 0.000 0.267 582 T C 0.927 175.168 174.700 -0.765 0.000 1.039 582 T CA 0.764 62.460 62.100 -0.673 0.000 1.142 582 T CB -0.139 68.115 68.868 -1.022 0.000 0.866 582 T HN 0.087 nan 8.240 nan 0.000 0.444 583 F N 0.818 120.700 119.950 -0.114 0.000 2.928 583 F HA 0.543 5.070 4.527 -0.001 0.000 0.337 583 F C 1.586 177.266 175.800 -0.201 0.000 1.259 583 F CA -1.485 56.421 58.000 -0.158 0.000 1.267 583 F CB -0.119 38.789 39.000 -0.155 0.000 0.986 583 F HN 0.094 nan 8.300 nan 0.000 0.507 584 G N 0.116 108.894 108.800 -0.036 0.000 2.539 584 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.215 584 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.215 584 G C 0.500 175.369 174.900 -0.051 0.000 1.141 584 G CA 0.267 45.339 45.100 -0.047 0.000 0.806 584 G HN 0.478 nan 8.290 nan 0.000 0.533 585 N N -1.365 117.315 118.700 -0.034 0.000 3.038 585 N HA 0.503 5.243 4.740 -0.001 0.000 0.307 585 N C -0.127 175.392 175.510 0.015 0.000 1.441 585 N CA -0.932 52.109 53.050 -0.015 0.000 0.772 585 N CB 0.816 39.301 38.487 -0.003 0.000 1.651 585 N HN -0.104 nan 8.380 nan 0.000 0.593 586 L N -0.898 120.357 121.223 0.053 0.000 3.017 586 L HA 0.405 4.744 4.340 -0.001 0.000 0.255 586 L C 1.705 178.694 176.870 0.199 0.000 1.247 586 L CA -0.393 54.532 54.840 0.142 0.000 1.038 586 L CB -0.116 42.053 42.059 0.184 0.000 1.380 586 L HN 0.682 nan 8.230 nan 0.000 0.548 587 K N 1.423 121.896 120.400 0.123 0.000 2.026 587 K HA -0.112 4.208 4.320 -0.001 0.000 0.208 587 K C 1.903 178.574 176.600 0.118 0.000 1.048 587 K CA 1.498 57.845 56.287 0.101 0.000 0.929 587 K CB 0.063 32.597 32.500 0.057 0.000 0.713 587 K HN 0.374 nan 8.250 nan 0.000 0.439 588 L N 0.068 121.365 121.223 0.123 0.000 2.056 588 L HA -0.149 4.191 4.340 -0.001 0.000 0.207 588 L C 2.444 179.404 176.870 0.150 0.000 1.078 588 L CA 1.070 55.978 54.840 0.112 0.000 0.749 588 L CB -0.488 41.588 42.059 0.028 0.000 0.901 588 L HN 0.198 nan 8.230 nan 0.000 0.433 589 F N 0.990 120.991 119.950 0.086 0.000 2.051 589 F HA -0.138 4.388 4.527 -0.001 0.000 0.296 589 F C 2.337 178.140 175.800 0.006 0.000 1.122 589 F CA 1.720 59.740 58.000 0.034 0.000 1.201 589 F CB -0.693 38.392 39.000 0.141 0.000 0.978 589 F HN -0.012 nan 8.300 nan 0.000 0.472 590 G N -0.139 108.823 108.800 0.271 0.000 2.469 590 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.219 590 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.219 590 G C 1.383 176.286 174.900 0.005 0.000 1.150 590 G CA 1.258 46.486 45.100 0.213 0.000 0.763 590 G HN 0.356 nan 8.290 nan 0.000 0.561 591 D N 0.808 121.196 120.400 -0.020 0.000 2.097 591 D HA -0.026 4.613 4.640 -0.001 0.000 0.195 591 D C 2.829 179.003 176.300 -0.209 0.000 0.989 591 D CA 1.358 55.311 54.000 -0.077 0.000 0.827 591 D CB -0.437 40.357 40.800 -0.010 0.000 0.966 591 D HN 0.318 nan 8.370 nan 0.000 0.456 592 A N 0.286 122.955 122.820 -0.250 0.000 1.968 592 A HA -0.057 4.262 4.320 -0.001 0.000 0.217 592 A C 2.151 179.527 177.584 -0.347 0.000 1.169 592 A CA 0.552 52.401 52.037 -0.313 0.000 0.638 592 A CB -0.556 18.090 19.000 -0.589 0.000 0.812 592 A HN 0.184 nan 8.150 nan 0.000 0.446 593 L N -0.152 120.805 121.223 -0.445 0.000 1.970 593 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 593 L C 2.647 179.475 176.870 -0.071 0.000 1.071 593 L CA 2.756 57.413 54.840 -0.305 0.000 0.751 593 L CB -0.913 40.861 42.059 -0.475 0.000 0.889 593 L HN 0.390 nan 8.230 nan 0.000 0.432 594 T N -0.401 114.113 114.554 -0.068 0.000 2.635 594 T HA -0.219 4.130 4.350 -0.001 0.000 0.267 594 T C 1.946 176.596 174.700 -0.083 0.000 1.040 594 T CA 1.578 63.664 62.100 -0.023 0.000 1.156 594 T CB -0.224 68.630 68.868 -0.023 0.000 0.863 594 T HN 0.232 nan 8.240 nan 0.000 0.430 595 K N 0.843 121.107 120.400 -0.227 0.000 2.032 595 K HA -0.065 4.255 4.320 -0.001 0.000 0.209 595 K C 2.526 179.024 176.600 -0.170 0.000 1.048 595 K CA 1.393 57.468 56.287 -0.353 0.000 0.927 595 K CB -0.205 31.709 32.500 -0.977 0.000 0.712 595 K HN 0.363 nan 8.250 nan 0.000 0.441 596 R N -1.220 119.227 120.500 -0.088 0.000 2.112 596 R HA 0.010 4.350 4.340 -0.001 0.000 0.216 596 R C 1.866 178.061 176.300 -0.174 0.000 1.080 596 R CA 0.826 56.892 56.100 -0.058 0.000 0.996 596 R CB 0.005 30.310 30.300 0.008 0.000 0.902 596 R HN 0.218 nan 8.270 nan 0.000 0.449 597 Y N -0.090 120.202 120.300 -0.014 0.000 2.449 597 Y HA 0.306 4.856 4.550 -0.001 0.000 0.254 597 Y C 0.850 176.763 175.900 0.023 0.000 1.140 597 Y CA 0.347 58.451 58.100 0.007 0.000 1.272 597 Y CB 1.230 39.685 38.460 -0.009 0.000 1.114 597 Y HN 0.198 nan 8.280 nan 0.000 0.525 598 G N 0.642 109.513 108.800 0.118 0.000 2.675 598 G HA2 0.113 4.072 3.960 -0.001 0.000 0.686 598 G HA3 0.113 4.072 3.960 -0.001 0.000 0.686 598 G C -0.337 174.623 174.900 0.099 0.000 1.215 598 G CA -1.020 44.133 45.100 0.088 0.000 0.777 598 G HN 0.491 nan 8.290 nan 0.000 0.638 599 A N 1.174 124.042 122.820 0.081 0.000 2.555 599 A HA 0.565 4.884 4.320 -0.001 0.000 0.233 599 A C 1.140 178.810 177.584 0.143 0.000 1.060 599 A CA 1.275 53.378 52.037 0.109 0.000 0.759 599 A CB 0.175 19.229 19.000 0.091 0.000 0.995 599 A HN 1.953 nan 8.150 nan 0.000 0.506 600 S N 0.857 116.687 115.700 0.218 0.000 2.513 600 S HA 0.418 4.888 4.470 -0.001 0.000 0.276 600 S C 1.268 175.964 174.600 0.160 0.000 1.254 600 S CA 0.019 58.347 58.200 0.212 0.000 1.053 600 S CB 1.455 64.892 63.200 0.395 0.000 0.958 600 S HN 1.070 nan 8.310 nan 0.000 0.491 601 A N 3.484 126.291 122.820 -0.022 0.000 2.081 601 A HA 0.211 4.531 4.320 -0.001 0.000 0.214 601 A C 0.636 178.017 177.584 -0.340 0.000 1.158 601 A CA 0.616 52.614 52.037 -0.066 0.000 0.724 601 A CB -0.382 18.575 19.000 -0.071 0.000 0.826 601 A HN 0.909 nan 8.150 nan 0.000 0.463 602 N N -4.068 114.139 118.700 -0.822 0.000 3.413 602 N HA 0.147 4.886 4.740 -0.001 0.000 0.273 602 N C -0.149 174.464 175.510 -1.494 0.000 1.458 602 N CA -0.263 51.882 53.050 -1.507 0.000 0.860 602 N CB -0.098 38.002 38.487 -0.644 0.000 1.556 602 N HN -0.059 nan 8.380 nan 0.000 0.475 603 L N 0.454 120.843 121.223 -1.391 0.000 1.989 603 L HA 0.028 4.368 4.340 -0.001 0.000 0.211 603 L C 1.281 177.978 176.870 -0.287 0.000 1.071 603 L CA 2.114 56.506 54.840 -0.747 0.000 0.749 603 L CB -1.315 40.560 42.059 -0.305 0.000 0.890 603 L HN 0.650 nan 8.230 nan 0.000 0.431 604 N N -0.033 118.506 118.700 -0.268 0.000 2.094 604 N HA -0.224 4.515 4.740 -0.001 0.000 0.191 604 N C 1.657 177.068 175.510 -0.165 0.000 1.023 604 N CA 1.588 54.535 53.050 -0.172 0.000 0.857 604 N CB -0.629 37.753 38.487 -0.175 0.000 1.013 604 N HN 0.479 nan 8.380 nan 0.000 0.426 605 D N -0.070 120.200 120.400 -0.216 0.000 2.097 605 D HA -0.133 4.507 4.640 -0.001 0.000 0.195 605 D C 1.779 178.052 176.300 -0.045 0.000 0.989 605 D CA 0.622 54.526 54.000 -0.159 0.000 0.827 605 D CB -0.350 40.349 40.800 -0.168 0.000 0.966 605 D HN 0.184 nan 8.370 nan 0.000 0.456 606 F N 0.443 120.302 119.950 -0.152 0.000 2.095 606 F HA -0.213 4.314 4.527 -0.001 0.000 0.298 606 F C 2.167 177.981 175.800 0.024 0.000 1.104 606 F CA 1.336 59.331 58.000 -0.007 0.000 1.232 606 F CB -0.332 38.721 39.000 0.089 0.000 0.987 606 F HN -0.105 nan 8.300 nan 0.000 0.475 607 V N 2.307 122.261 119.914 0.067 0.000 2.307 607 V HA -0.298 3.821 4.120 -0.001 0.000 0.245 607 V C 2.643 178.704 176.094 -0.054 0.000 1.045 607 V CA 2.167 64.475 62.300 0.014 0.000 1.024 607 V CB -1.031 30.835 31.823 0.071 0.000 0.651 607 V HN 0.416 nan 8.190 nan 0.000 0.449 608 R N 1.295 121.767 120.500 -0.046 0.000 2.096 608 R HA -0.264 4.076 4.340 -0.001 0.000 0.240 608 R C 2.167 178.498 176.300 0.051 0.000 1.139 608 R CA 2.273 58.380 56.100 0.011 0.000 0.952 608 R CB -0.603 29.634 30.300 -0.105 0.000 0.854 608 R HN 0.409 nan 8.270 nan 0.000 0.436 609 K N 0.540 120.916 120.400 -0.040 0.000 2.097 609 K HA 0.006 4.325 4.320 -0.001 0.000 0.205 609 K C 2.330 178.644 176.600 -0.477 0.000 1.050 609 K CA 1.262 57.370 56.287 -0.299 0.000 0.938 609 K CB -0.179 32.168 32.500 -0.256 0.000 0.718 609 K HN 0.352 nan 8.250 nan 0.000 0.442 610 A N 1.473 124.087 122.820 -0.342 0.000 1.908 610 A HA -0.240 4.080 4.320 -0.001 0.000 0.218 610 A C 2.086 179.660 177.584 -0.017 0.000 1.181 610 A CA 1.483 53.437 52.037 -0.138 0.000 0.627 610 A CB -0.373 18.527 19.000 -0.166 0.000 0.818 610 A HN 0.190 nan 8.150 nan 0.000 0.445 611 Q N -0.190 119.576 119.800 -0.056 0.000 2.046 611 Q HA -0.046 4.294 4.340 -0.001 0.000 0.200 611 Q C 2.262 178.243 176.000 -0.032 0.000 0.975 611 Q CA 1.141 56.956 55.803 0.020 0.000 0.836 611 Q CB -0.681 28.091 28.738 0.055 0.000 0.896 611 Q HN 0.711 nan 8.270 nan 0.000 0.428 612 L N 0.344 121.387 121.223 -0.301 0.000 2.013 612 L HA -0.232 4.107 4.340 -0.001 0.000 0.212 612 L C 2.596 179.616 176.870 0.249 0.000 1.073 612 L CA 1.553 56.209 54.840 -0.306 0.000 0.753 612 L CB -0.680 40.964 42.059 -0.692 0.000 0.890 612 L HN 0.232 nan 8.230 nan 0.000 0.432 613 S N -0.787 114.901 115.700 -0.021 0.000 2.368 613 S HA -0.245 4.225 4.470 -0.001 0.000 0.225 613 S C 1.910 176.766 174.600 0.426 0.000 1.030 613 S CA 1.566 59.929 58.200 0.272 0.000 0.999 613 S CB -0.018 63.214 63.200 0.053 0.000 0.844 613 S HN 0.446 nan 8.310 nan 0.000 0.459 614 Q N -1.096 118.925 119.800 0.368 0.000 2.083 614 Q HA -0.052 4.287 4.340 -0.001 0.000 0.198 614 Q C 1.873 178.084 176.000 0.352 0.000 0.969 614 Q CA 1.641 57.663 55.803 0.366 0.000 0.838 614 Q CB -0.352 28.556 28.738 0.284 0.000 0.900 614 Q HN 0.764 nan 8.270 nan 0.000 0.436 615 Y N 1.742 122.204 120.300 0.270 0.000 2.097 615 Y HA -0.330 4.220 4.550 -0.001 0.000 0.282 615 Y C 2.411 178.463 175.900 0.254 0.000 1.152 615 Y CA 2.108 60.386 58.100 0.298 0.000 1.136 615 Y CB 0.030 38.753 38.460 0.439 0.000 0.975 615 Y HN 0.140 nan 8.280 nan 0.000 0.498 616 E N -0.229 120.323 120.200 0.587 0.000 2.085 616 E HA -0.280 4.069 4.350 -0.001 0.000 0.194 616 E C 2.032 178.789 176.600 0.262 0.000 0.994 616 E CA 1.387 57.968 56.400 0.303 0.000 0.801 616 E CB -0.364 29.503 29.700 0.279 0.000 0.743 616 E HN 0.521 nan 8.360 nan 0.000 0.453 617 N N 0.092 118.986 118.700 0.323 0.000 2.135 617 N HA -0.113 4.627 4.740 -0.001 0.000 0.186 617 N C 2.011 177.646 175.510 0.209 0.000 1.027 617 N CA 1.345 54.593 53.050 0.330 0.000 0.849 617 N CB 0.107 38.843 38.487 0.416 0.000 1.002 617 N HN 0.073 nan 8.380 nan 0.000 0.425 618 V N 1.897 121.896 119.914 0.142 0.000 2.427 618 V HA -0.157 3.962 4.120 -0.001 0.000 0.248 618 V C 2.634 178.726 176.094 -0.003 0.000 1.051 618 V CA 1.400 63.704 62.300 0.006 0.000 1.048 618 V CB -0.587 31.167 31.823 -0.115 0.000 0.666 618 V HN 0.329 nan 8.190 nan 0.000 0.456 619 R N 0.745 121.231 120.500 -0.024 0.000 2.094 619 R HA -0.229 4.110 4.340 -0.001 0.000 0.239 619 R C 2.250 178.624 176.300 0.124 0.000 1.137 619 R CA 2.087 58.176 56.100 -0.019 0.000 0.943 619 R CB -0.527 29.720 30.300 -0.089 0.000 0.850 619 R HN 0.467 nan 8.270 nan 0.000 0.433 620 A N 0.496 123.436 122.820 0.201 0.000 1.969 620 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 620 A C 2.016 179.587 177.584 -0.022 0.000 1.169 620 A CA 1.500 53.727 52.037 0.316 0.000 0.635 620 A CB -0.504 18.813 19.000 0.529 0.000 0.810 620 A HN 0.645 nan 8.150 nan 0.000 0.445 621 E N -1.177 118.761 120.200 -0.435 0.000 2.077 621 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 621 E C 1.555 177.806 176.600 -0.581 0.000 0.989 621 E CA 1.271 57.016 56.400 -1.092 0.000 0.800 621 E CB -0.186 28.576 29.700 -1.564 0.000 0.746 621 E HN 0.626 nan 8.360 nan 0.000 0.452 622 F N 1.184 120.935 119.950 -0.331 0.000 2.187 622 F HA -0.009 4.518 4.527 -0.001 0.000 0.295 622 F C 2.326 178.077 175.800 -0.082 0.000 1.091 622 F CA 1.049 58.910 58.000 -0.232 0.000 1.308 622 F CB -0.097 38.752 39.000 -0.251 0.000 1.030 622 F HN 0.016 nan 8.300 nan 0.000 0.487 623 E N 0.090 120.390 120.200 0.166 0.000 2.058 623 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 623 E C 2.373 179.067 176.600 0.156 0.000 0.997 623 E CA 1.766 58.297 56.400 0.219 0.000 0.801 623 E CB -0.362 29.549 29.700 0.351 0.000 0.746 623 E HN 0.397 nan 8.360 nan 0.000 0.450 624 S N 0.744 116.408 115.700 -0.059 0.000 2.365 624 S HA -0.279 4.191 4.470 -0.001 0.000 0.225 624 S C 1.833 176.355 174.600 -0.129 0.000 1.039 624 S CA 1.784 59.737 58.200 -0.412 0.000 1.033 624 S CB -0.637 62.010 63.200 -0.922 0.000 0.887 624 S HN 0.315 nan 8.310 nan 0.000 0.447 625 H N 1.185 120.176 119.070 -0.131 0.000 2.389 625 H HA 0.194 4.749 4.556 -0.001 0.000 0.299 625 H C 2.628 177.965 175.328 0.014 0.000 1.081 625 H CA 1.473 57.474 56.048 -0.078 0.000 1.345 625 H CB -0.499 29.153 29.762 -0.184 0.000 1.393 625 H HN 0.410 nan 8.280 nan 0.000 0.520 626 S N -0.087 115.705 115.700 0.152 0.000 2.368 626 S HA -0.174 4.296 4.470 -0.001 0.000 0.225 626 S C 2.115 176.829 174.600 0.189 0.000 1.030 626 S CA 1.196 59.483 58.200 0.146 0.000 0.999 626 S CB -0.056 63.223 63.200 0.132 0.000 0.844 626 S HN 0.398 nan 8.310 nan 0.000 0.459 627 R N 1.372 121.979 120.500 0.179 0.000 2.066 627 R HA -0.033 4.306 4.340 -0.001 0.000 0.232 627 R C 1.159 177.557 176.300 0.162 0.000 1.131 627 R CA 1.547 57.757 56.100 0.183 0.000 0.955 627 R CB -0.251 30.188 30.300 0.231 0.000 0.851 627 R HN 0.260 nan 8.270 nan 0.000 0.432 628 N N -0.069 118.714 118.700 0.137 0.000 2.515 628 N HA -0.121 4.618 4.740 -0.001 0.000 0.185 628 N C 0.995 176.592 175.510 0.146 0.000 1.109 628 N CA 0.373 53.491 53.050 0.112 0.000 0.903 628 N CB -0.286 38.237 38.487 0.060 0.000 0.969 628 N HN 0.306 nan 8.380 nan 0.000 0.450 629 Y N 1.916 122.248 120.300 0.054 0.000 2.298 629 Y HA -0.190 4.360 4.550 -0.001 0.000 0.287 629 Y C 1.492 177.432 175.900 0.065 0.000 1.164 629 Y CA 1.488 59.626 58.100 0.064 0.000 1.229 629 Y CB -0.458 38.044 38.460 0.071 0.000 0.977 629 Y HN 0.077 nan 8.280 nan 0.000 0.538 630 T N -2.232 112.300 114.554 -0.035 0.000 3.214 630 T HA 0.182 4.531 4.350 -0.001 0.000 0.264 630 T C -0.263 174.406 174.700 -0.051 0.000 1.012 630 T CA -0.412 61.614 62.100 -0.124 0.000 0.901 630 T CB -0.367 68.470 68.868 -0.052 0.000 1.070 630 T HN -0.006 nan 8.240 nan 0.000 0.561 631 D N 1.898 122.287 120.400 -0.017 0.000 2.390 631 D HA 0.267 4.907 4.640 -0.001 0.000 0.249 631 D C 0.942 177.229 176.300 -0.021 0.000 1.144 631 D CA -0.165 53.833 54.000 -0.004 0.000 0.880 631 D CB 1.605 42.419 40.800 0.023 0.000 1.182 631 D HN 0.111 nan 8.370 nan 0.000 0.451 632 S N 0.503 116.190 115.700 -0.021 0.000 2.447 632 S HA -0.052 4.417 4.470 -0.001 0.000 0.233 632 S C 0.876 175.466 174.600 -0.017 0.000 1.006 632 S CA 0.767 58.953 58.200 -0.023 0.000 0.957 632 S CB 0.206 63.393 63.200 -0.021 0.000 0.773 632 S HN 0.431 nan 8.310 nan 0.000 0.507 633 T N 2.556 117.102 114.554 -0.013 0.000 2.848 633 T HA 0.305 4.655 4.350 -0.001 0.000 0.285 633 T C -0.459 174.242 174.700 0.002 0.000 0.995 633 T CA -0.731 61.361 62.100 -0.014 0.000 0.970 633 T CB 0.974 69.821 68.868 -0.035 0.000 0.976 633 T HN 0.126 nan 8.240 nan 0.000 0.441 634 N N 2.926 121.640 118.700 0.024 0.000 2.678 634 N HA -0.114 4.625 4.740 -0.001 0.000 0.268 634 N C -2.550 173.042 175.510 0.138 0.000 1.010 634 N CA 0.321 53.425 53.050 0.089 0.000 0.784 634 N CB -0.401 38.106 38.487 0.033 0.000 0.905 634 N HN 0.431 nan 8.380 nan 0.000 0.552 635 P HA 0.035 nan 4.420 nan 0.000 0.272 635 P C -0.114 177.294 177.300 0.181 0.000 1.223 635 P CA -0.141 63.028 63.100 0.116 0.000 0.784 635 P CB 0.550 32.280 31.700 0.051 0.000 0.923 636 S N 0.257 116.058 115.700 0.170 0.000 2.498 636 S HA 0.169 4.639 4.470 -0.001 0.000 0.281 636 S C 1.168 175.927 174.600 0.265 0.000 1.265 636 S CA -0.079 58.209 58.200 0.148 0.000 1.071 636 S CB -0.507 62.717 63.200 0.041 0.000 0.894 636 S HN 0.650 nan 8.310 nan 0.000 0.491 637 T N -0.582 114.106 114.554 0.224 0.000 3.010 637 T HA 0.524 4.874 4.350 -0.001 0.000 0.257 637 T C 0.671 175.402 174.700 0.052 0.000 1.020 637 T CA 0.136 62.423 62.100 0.312 0.000 0.938 637 T CB 0.128 69.241 68.868 0.408 0.000 1.049 637 T HN 1.090 nan 8.240 nan 0.000 0.522 638 G N 0.766 109.341 108.800 -0.374 0.000 2.579 638 G HA2 0.543 4.502 3.960 -0.001 0.000 0.292 638 G HA3 0.543 4.502 3.960 -0.001 0.000 0.292 638 G C -2.628 171.766 174.900 -0.842 0.000 1.484 638 G CA -0.782 43.643 45.100 -1.125 0.000 0.813 638 G HN 0.413 nan 8.290 nan 0.000 0.515 639 L N 1.456 122.240 121.223 -0.731 0.000 2.516 639 L HA 0.700 5.040 4.340 -0.001 0.000 0.267 639 L C -1.543 175.072 176.870 -0.425 0.000 0.957 639 L CA -0.906 53.533 54.840 -0.669 0.000 0.860 639 L CB 1.683 43.191 42.059 -0.919 0.000 1.265 639 L HN 0.439 nan 8.230 nan 0.000 0.403 640 I N 5.314 125.692 120.570 -0.320 0.000 2.382 640 I HA 0.222 4.391 4.170 -0.001 0.000 0.285 640 I C -0.474 175.563 176.117 -0.134 0.000 1.007 640 I CA -0.571 60.665 61.300 -0.108 0.000 1.142 640 I CB 1.134 39.154 38.000 0.033 0.000 1.289 640 I HN 0.663 nan 8.210 nan 0.000 0.453 641 Y N 6.283 126.460 120.300 -0.206 0.000 2.497 641 Y HA 0.031 4.580 4.550 -0.001 0.000 0.334 641 Y C -0.315 175.565 175.900 -0.033 0.000 1.199 641 Y CA 0.170 58.140 58.100 -0.215 0.000 1.425 641 Y CB 0.835 39.229 38.460 -0.109 0.000 1.291 641 Y HN 0.563 nan 8.280 nan 0.000 0.562 642 W N 10.317 130.970 121.300 -1.078 0.000 2.299 642 W HA 0.422 5.082 4.660 -0.001 0.000 0.319 642 W C -1.596 174.368 176.519 -0.925 0.000 1.008 642 W CA -0.751 56.046 57.345 -0.913 0.000 1.384 642 W CB 0.785 29.678 29.460 -0.945 0.000 1.220 642 W HN 0.632 nan 8.180 nan 0.000 0.402 643 M N 3.295 122.526 119.600 -0.615 0.000 2.775 643 M HA 0.217 4.697 4.480 -0.001 0.000 0.296 643 M C 0.895 177.096 176.300 -0.165 0.000 1.248 643 M CA -0.858 54.045 55.300 -0.661 0.000 0.800 643 M CB 1.888 33.754 32.600 -1.223 0.000 1.765 643 M HN 0.284 nan 8.290 nan 0.000 0.472 644 L N 1.674 122.764 121.223 -0.221 0.000 1.994 644 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 644 L C 0.551 177.095 176.870 -0.542 0.000 1.071 644 L CA 1.775 56.496 54.840 -0.198 0.000 0.745 644 L CB -0.088 41.925 42.059 -0.076 0.000 0.892 644 L HN 0.875 nan 8.230 nan 0.000 0.431 645 N N -2.291 116.038 118.700 -0.617 0.000 2.774 645 N HA 0.236 4.976 4.740 -0.001 0.000 0.264 645 N C -1.227 173.990 175.510 -0.489 0.000 1.415 645 N CA -0.435 52.183 53.050 -0.721 0.000 0.815 645 N CB 1.377 39.306 38.487 -0.930 0.000 1.514 645 N HN -0.028 nan 8.380 nan 0.000 0.523 646 S N -1.070 114.420 115.700 -0.350 0.000 2.638 646 S HA 0.571 5.041 4.470 -0.001 0.000 0.298 646 S C -1.950 172.550 174.600 -0.167 0.000 1.111 646 S CA -1.776 56.296 58.200 -0.213 0.000 1.027 646 S CB 0.932 64.069 63.200 -0.105 0.000 1.064 646 S HN 0.433 nan 8.310 nan 0.000 0.525 647 P HA 0.125 nan 4.420 nan 0.000 0.233 647 P C -0.291 176.931 177.300 -0.130 0.000 1.167 647 P CA 0.677 63.650 63.100 -0.211 0.000 0.770 647 P CB 0.036 31.413 31.700 -0.538 0.000 0.837 648 W N -1.726 119.305 121.300 -0.449 0.000 2.894 648 W HA 0.369 5.028 4.660 -0.001 0.000 0.424 648 W C -1.286 174.736 176.519 -0.829 0.000 1.072 648 W CA -0.648 56.239 57.345 -0.765 0.000 1.194 648 W CB -0.638 28.487 29.460 -0.558 0.000 1.471 648 W HN -0.353 nan 8.180 nan 0.000 0.608 649 T N 1.471 115.196 114.554 -1.382 0.000 2.834 649 T HA 0.463 4.812 4.350 -0.001 0.000 0.298 649 T C -0.143 173.877 174.700 -1.133 0.000 0.966 649 T CA 0.214 61.629 62.100 -1.142 0.000 1.141 649 T CB 1.196 69.438 68.868 -1.042 0.000 0.905 649 T HN 0.745 nan 8.240 nan 0.000 0.535 650 S N 1.663 116.992 115.700 -0.618 0.000 2.671 650 S HA 0.605 5.075 4.470 -0.001 0.000 0.277 650 S C -0.168 174.318 174.600 -0.191 0.000 1.165 650 S CA -0.978 57.022 58.200 -0.334 0.000 0.822 650 S CB 1.135 64.285 63.200 -0.082 0.000 1.150 650 S HN 0.728 nan 8.310 nan 0.000 0.479 651 L N 1.850 123.013 121.223 -0.101 0.000 3.016 651 L HA 0.437 4.776 4.340 -0.001 0.000 0.267 651 L C 0.145 176.989 176.870 -0.043 0.000 1.182 651 L CA -0.242 54.538 54.840 -0.101 0.000 0.997 651 L CB 0.016 41.996 42.059 -0.132 0.000 1.354 651 L HN 0.834 nan 8.230 nan 0.000 0.569 652 H N -6.163 112.788 119.070 -0.198 0.000 2.990 652 H HA 0.260 4.815 4.556 -0.001 0.000 0.336 652 H C -1.237 174.058 175.328 -0.054 0.000 1.306 652 H CA -1.163 54.754 56.048 -0.217 0.000 1.118 652 H CB 0.764 30.210 29.762 -0.526 0.000 1.856 652 H HN -0.095 nan 8.280 nan 0.000 0.538 653 W N 1.632 122.786 121.300 -0.243 0.000 6.190 653 W HA -0.183 4.476 4.660 -0.001 0.000 0.423 653 W C -0.931 175.386 176.519 -0.337 0.000 1.680 653 W CA 1.232 58.310 57.345 -0.445 0.000 1.036 653 W CB -2.268 26.661 29.460 -0.885 0.000 2.908 653 W HN 0.924 nan 8.180 nan 0.000 1.429 654 Q N -2.051 117.820 119.800 0.117 0.000 2.479 654 Q HA 0.615 4.954 4.340 -0.001 0.000 0.276 654 Q C -0.338 175.702 176.000 0.066 0.000 0.989 654 Q CA -1.078 54.720 55.803 -0.008 0.000 0.864 654 Q CB 1.027 29.698 28.738 -0.111 0.000 1.444 654 Q HN 0.122 nan 8.270 nan 0.000 0.388 655 L N 0.408 121.599 121.223 -0.054 0.000 2.269 655 L HA 0.322 4.661 4.340 -0.001 0.000 0.200 655 L C 0.532 177.539 176.870 0.227 0.000 1.069 655 L CA 0.427 55.257 54.840 -0.016 0.000 0.804 655 L CB 0.207 42.192 42.059 -0.123 0.000 0.987 655 L HN 0.672 nan 8.230 nan 0.000 0.468 656 F N 0.553 120.632 119.950 0.216 0.000 2.443 656 F HA 0.544 5.070 4.527 -0.001 0.000 0.335 656 F C -0.103 175.741 175.800 0.074 0.000 1.104 656 F CA -2.019 56.100 58.000 0.199 0.000 1.013 656 F CB 0.164 39.400 39.000 0.394 0.000 1.136 656 F HN -0.031 nan 8.300 nan 0.000 0.470 657 D N 2.334 122.856 120.400 0.204 0.000 2.414 657 D HA 0.347 4.987 4.640 -0.001 0.000 0.251 657 D C 1.184 177.513 176.300 0.048 0.000 1.252 657 D CA -0.207 53.811 54.000 0.031 0.000 0.999 657 D CB 0.560 41.338 40.800 -0.037 0.000 1.093 657 D HN 0.756 nan 8.370 nan 0.000 0.515 658 A N -0.741 121.953 122.820 -0.209 0.000 2.024 658 A HA -0.168 4.151 4.320 -0.001 0.000 0.220 658 A C 1.321 178.812 177.584 -0.156 0.000 1.164 658 A CA 1.061 52.932 52.037 -0.276 0.000 0.643 658 A CB -0.997 17.596 19.000 -0.678 0.000 0.806 658 A HN 0.598 nan 8.150 nan 0.000 0.451 659 Y N -1.670 118.690 120.300 0.100 0.000 2.468 659 Y HA 0.259 4.809 4.550 -0.001 0.000 0.268 659 Y C 0.872 176.820 175.900 0.080 0.000 1.177 659 Y CA -0.234 57.923 58.100 0.095 0.000 1.265 659 Y CB 0.017 38.517 38.460 0.067 0.000 1.103 659 Y HN 0.201 nan 8.280 nan 0.000 0.522 660 M N -0.876 118.866 119.600 0.238 0.000 2.872 660 M HA -0.246 4.234 4.480 -0.001 0.000 0.200 660 M C -0.627 175.810 176.300 0.229 0.000 0.582 660 M CA 0.508 55.937 55.300 0.214 0.000 0.706 660 M CB -1.993 30.581 32.600 -0.043 0.000 2.560 660 M HN 0.267 nan 8.290 nan 0.000 0.476 661 D N 1.473 121.975 120.400 0.169 0.000 2.354 661 D HA 0.512 5.151 4.640 -0.001 0.000 0.247 661 D C 0.085 176.333 176.300 -0.087 0.000 1.138 661 D CA 0.317 54.348 54.000 0.052 0.000 0.958 661 D CB 0.714 41.558 40.800 0.073 0.000 1.144 661 D HN 0.388 nan 8.370 nan 0.000 0.458 662 Q N 1.328 120.980 119.800 -0.248 0.000 2.330 662 Q HA 0.340 4.680 4.340 -0.001 0.000 0.269 662 Q C -0.341 175.355 176.000 -0.507 0.000 1.022 662 Q CA -0.959 54.506 55.803 -0.563 0.000 0.796 662 Q CB 1.748 29.906 28.738 -0.967 0.000 1.271 662 Q HN 0.446 nan 8.270 nan 0.000 0.450 663 N N 0.268 118.737 118.700 -0.385 0.000 2.989 663 N HA 0.326 5.066 4.740 -0.001 0.000 0.338 663 N C 0.888 176.311 175.510 -0.144 0.000 1.369 663 N CA -0.302 52.629 53.050 -0.199 0.000 0.794 663 N CB -0.250 38.220 38.487 -0.028 0.000 1.359 663 N HN 0.455 nan 8.380 nan 0.000 0.609 664 G N -0.911 107.986 108.800 0.162 0.000 2.432 664 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.219 664 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.219 664 G C 1.288 176.386 174.900 0.331 0.000 1.135 664 G CA 1.350 46.704 45.100 0.423 0.000 0.767 664 G HN 0.788 nan 8.290 nan 0.000 0.550 665 A N -0.033 122.881 122.820 0.156 0.000 1.872 665 A HA 0.045 4.365 4.320 -0.001 0.000 0.214 665 A C 2.126 179.683 177.584 -0.045 0.000 1.187 665 A CA 1.490 53.563 52.037 0.059 0.000 0.614 665 A CB -0.697 18.336 19.000 0.054 0.000 0.826 665 A HN 0.405 nan 8.150 nan 0.000 0.442 666 Y N -0.543 119.658 120.300 -0.165 0.000 2.030 666 Y HA -0.331 4.218 4.550 -0.001 0.000 0.274 666 Y C 2.323 178.135 175.900 -0.147 0.000 1.153 666 Y CA 2.460 60.433 58.100 -0.212 0.000 1.115 666 Y CB -0.522 37.752 38.460 -0.309 0.000 0.969 666 Y HN 0.396 nan 8.280 nan 0.000 0.488 667 Y N -0.126 120.299 120.300 0.208 0.000 2.256 667 Y HA -0.140 4.409 4.550 -0.001 0.000 0.288 667 Y C 2.613 178.389 175.900 -0.208 0.000 1.155 667 Y CA 0.847 59.019 58.100 0.121 0.000 1.203 667 Y CB -1.442 37.209 38.460 0.317 0.000 0.980 667 Y HN 0.241 nan 8.280 nan 0.000 0.530 668 G N -0.615 108.027 108.800 -0.262 0.000 2.402 668 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.216 668 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.216 668 G C 1.967 176.578 174.900 -0.481 0.000 1.162 668 G CA 1.022 45.674 45.100 -0.747 0.000 0.777 668 G HN 0.469 nan 8.290 nan 0.000 0.539 669 A N 0.806 123.368 122.820 -0.430 0.000 1.902 669 A HA -0.008 4.312 4.320 -0.001 0.000 0.217 669 A C 2.199 179.409 177.584 -0.623 0.000 1.181 669 A CA 2.187 53.858 52.037 -0.610 0.000 0.623 669 A CB -0.433 18.157 19.000 -0.684 0.000 0.818 669 A HN 0.416 nan 8.150 nan 0.000 0.443 670 K N -0.161 119.950 120.400 -0.481 0.000 2.026 670 K HA -0.236 4.083 4.320 -0.001 0.000 0.208 670 K C 2.133 178.566 176.600 -0.278 0.000 1.048 670 K CA 1.950 58.027 56.287 -0.351 0.000 0.929 670 K CB -0.157 32.229 32.500 -0.191 0.000 0.713 670 K HN 0.245 nan 8.250 nan 0.000 0.439 671 K N 0.813 121.072 120.400 -0.234 0.000 1.991 671 K HA -0.119 4.200 4.320 -0.001 0.000 0.212 671 K C 1.848 178.219 176.600 -0.382 0.000 1.049 671 K CA 1.951 58.144 56.287 -0.157 0.000 0.932 671 K CB -0.861 31.590 32.500 -0.081 0.000 0.717 671 K HN 0.265 nan 8.250 nan 0.000 0.441 672 A N 0.905 123.481 122.820 -0.405 0.000 1.927 672 A HA -0.198 4.122 4.320 -0.001 0.000 0.220 672 A C 1.670 178.862 177.584 -0.653 0.000 1.185 672 A CA 2.130 53.892 52.037 -0.458 0.000 0.639 672 A CB -0.622 18.230 19.000 -0.246 0.000 0.820 672 A HN 0.531 nan 8.150 nan 0.000 0.451 673 N N 0.070 118.438 118.700 -0.554 0.000 2.268 673 N HA 0.056 4.796 4.740 -0.001 0.000 0.204 673 N C -0.347 174.973 175.510 -0.318 0.000 1.124 673 N CA -0.038 52.751 53.050 -0.435 0.000 0.838 673 N CB 0.177 38.373 38.487 -0.485 0.000 0.994 673 N HN 0.613 nan 8.380 nan 0.000 0.489 674 E N 1.832 121.828 120.200 -0.341 0.000 2.653 674 E HA -0.094 4.255 4.350 -0.001 0.000 0.264 674 E C -1.198 175.363 176.600 -0.065 0.000 0.949 674 E CA -0.948 55.367 56.400 -0.141 0.000 0.953 674 E CB 0.989 30.693 29.700 0.006 0.000 0.925 674 E HN 0.177 nan 8.360 nan 0.000 0.475 675 P HA -0.132 nan 4.420 nan 0.000 0.217 675 P C -0.010 177.311 177.300 0.035 0.000 1.150 675 P CA 1.039 64.133 63.100 -0.010 0.000 0.832 675 P CB 0.359 32.049 31.700 -0.017 0.000 0.787 676 L N -0.337 120.923 121.223 0.062 0.000 2.345 676 L HA 0.452 4.792 4.340 -0.001 0.000 0.274 676 L C -0.766 176.192 176.870 0.148 0.000 0.999 676 L CA -0.709 54.183 54.840 0.086 0.000 0.849 676 L CB 1.059 43.150 42.059 0.053 0.000 1.220 676 L HN -0.060 nan 8.230 nan 0.000 0.422 677 H N 3.674 122.765 119.070 0.035 0.000 2.717 677 H HA 0.621 5.177 4.556 -0.001 0.000 0.366 677 H C -1.446 173.927 175.328 0.074 0.000 1.132 677 H CA -0.541 55.537 56.048 0.050 0.000 1.180 677 H CB 1.867 31.654 29.762 0.042 0.000 1.678 677 H HN 0.546 nan 8.280 nan 0.000 0.537 678 I N 4.717 124.975 120.570 -0.520 0.000 2.404 678 I HA 0.333 4.502 4.170 -0.001 0.000 0.293 678 I C -1.258 174.590 176.117 -0.449 0.000 0.992 678 I CA -0.423 60.681 61.300 -0.326 0.000 1.149 678 I CB 0.987 38.923 38.000 -0.107 0.000 1.315 678 I HN 0.781 nan 8.210 nan 0.000 0.446 679 Q N 6.132 125.865 119.800 -0.112 0.000 2.421 679 Q HA 0.347 4.687 4.340 -0.001 0.000 0.280 679 Q C -1.960 174.093 176.000 0.089 0.000 1.085 679 Q CA -0.910 54.972 55.803 0.131 0.000 0.807 679 Q CB 2.446 31.344 28.738 0.267 0.000 1.405 679 Q HN 0.652 nan 8.270 nan 0.000 0.419 680 Y N 1.152 121.314 120.300 -0.229 0.000 2.331 680 Y HA 0.407 4.956 4.550 -0.001 0.000 0.338 680 Y C -0.988 174.597 175.900 -0.525 0.000 0.976 680 Y CA -0.476 57.265 58.100 -0.600 0.000 1.137 680 Y CB 1.744 39.391 38.460 -1.355 0.000 1.172 680 Y HN 0.740 nan 8.280 nan 0.000 0.478 681 S N 5.349 120.569 115.700 -0.801 0.000 2.481 681 S HA 0.056 4.526 4.470 -0.001 0.000 0.276 681 S C 0.422 174.351 174.600 -1.118 0.000 1.247 681 S CA -0.358 57.304 58.200 -0.897 0.000 1.053 681 S CB 0.320 63.087 63.200 -0.720 0.000 0.925 681 S HN 0.875 nan 8.310 nan 0.000 0.491 682 H N 1.659 120.232 119.070 -0.829 0.000 2.502 682 H HA -0.074 4.481 4.556 -0.001 0.000 0.283 682 H C 1.840 176.969 175.328 -0.331 0.000 1.015 682 H CA 1.491 57.340 56.048 -0.332 0.000 1.298 682 H CB 0.216 30.017 29.762 0.066 0.000 1.411 682 H HN 0.695 nan 8.280 nan 0.000 0.556 683 D N 0.474 120.615 120.400 -0.432 0.000 2.085 683 D HA -0.140 4.500 4.640 -0.001 0.000 0.199 683 D C 1.295 177.472 176.300 -0.206 0.000 0.981 683 D CA 1.361 55.242 54.000 -0.198 0.000 0.834 683 D CB -0.462 40.283 40.800 -0.091 0.000 0.992 683 D HN 0.467 nan 8.370 nan 0.000 0.457 684 N N -0.769 117.745 118.700 -0.310 0.000 2.184 684 N HA 0.078 4.817 4.740 -0.001 0.000 0.206 684 N C -0.047 175.283 175.510 -0.301 0.000 1.151 684 N CA -0.299 52.610 53.050 -0.235 0.000 0.878 684 N CB 0.086 38.469 38.487 -0.174 0.000 1.014 684 N HN 0.133 nan 8.380 nan 0.000 0.512 685 R N -0.349 119.842 120.500 -0.515 0.000 3.770 685 R HA -0.140 4.200 4.340 -0.001 0.000 0.305 685 R C -0.766 175.240 176.300 -0.491 0.000 1.184 685 R CA 0.935 56.644 56.100 -0.650 0.000 0.823 685 R CB -2.831 27.328 30.300 -0.235 0.000 1.285 685 R HN 0.590 nan 8.270 nan 0.000 0.499 686 S N -0.673 114.762 115.700 -0.442 0.000 2.537 686 S HA 0.518 4.987 4.470 -0.001 0.000 0.275 686 S C 0.553 174.991 174.600 -0.269 0.000 1.272 686 S CA -0.907 57.135 58.200 -0.263 0.000 1.050 686 S CB 2.361 65.456 63.200 -0.176 0.000 0.961 686 S HN 0.101 nan 8.310 nan 0.000 0.496 687 V N 3.601 123.445 119.914 -0.117 0.000 2.406 687 V HA 0.435 4.555 4.120 -0.001 0.000 0.272 687 V C -0.149 175.930 176.094 -0.025 0.000 1.043 687 V CA -0.510 61.763 62.300 -0.045 0.000 0.915 687 V CB 0.949 32.790 31.823 0.030 0.000 0.988 687 V HN 0.826 nan 8.190 nan 0.000 0.466 688 V N 5.529 125.437 119.914 -0.009 0.000 2.656 688 V HA 0.487 4.606 4.120 -0.001 0.000 0.307 688 V C -0.301 175.812 176.094 0.032 0.000 1.051 688 V CA -0.662 61.650 62.300 0.020 0.000 0.893 688 V CB 2.360 34.210 31.823 0.044 0.000 0.999 688 V HN 0.585 nan 8.190 nan 0.000 0.426 689 V N 5.588 125.525 119.914 0.039 0.000 2.398 689 V HA 0.507 4.627 4.120 -0.001 0.000 0.286 689 V C -0.346 175.796 176.094 0.080 0.000 1.026 689 V CA -0.484 61.842 62.300 0.044 0.000 0.868 689 V CB 1.570 33.412 31.823 0.032 0.000 0.982 689 V HN 0.554 nan 8.190 nan 0.000 0.443 690 I N 4.252 124.891 120.570 0.114 0.000 2.406 690 I HA 0.410 4.580 4.170 -0.001 0.000 0.290 690 I C -0.228 175.961 176.117 0.120 0.000 0.999 690 I CA -0.538 60.845 61.300 0.138 0.000 1.124 690 I CB 1.724 39.836 38.000 0.187 0.000 1.289 690 I HN 0.592 nan 8.210 nan 0.000 0.441 691 N N 5.732 124.489 118.700 0.095 0.000 2.469 691 N HA 0.216 4.956 4.740 -0.001 0.000 0.253 691 N C 0.493 176.041 175.510 0.063 0.000 0.970 691 N CA -0.253 52.841 53.050 0.072 0.000 0.940 691 N CB 1.274 39.796 38.487 0.058 0.000 1.128 691 N HN 0.325 nan 8.380 nan 0.000 0.503 692 Q N 0.677 120.501 119.800 0.041 0.000 2.424 692 Q HA 0.040 4.379 4.340 -0.001 0.000 0.204 692 Q C 0.414 176.419 176.000 0.008 0.000 0.933 692 Q CA 0.310 56.123 55.803 0.016 0.000 0.929 692 Q CB -0.241 28.487 28.738 -0.016 0.000 1.037 692 Q HN 0.782 nan 8.270 nan 0.000 0.511 693 T N -1.338 113.220 114.554 0.007 0.000 2.766 693 T HA 0.126 4.476 4.350 -0.001 0.000 0.295 693 T C 1.291 175.982 174.700 -0.014 0.000 1.024 693 T CA 0.089 62.181 62.100 -0.013 0.000 1.018 693 T CB 0.972 69.831 68.868 -0.015 0.000 1.002 693 T HN 0.133 nan 8.240 nan 0.000 0.532 694 S N 0.144 115.816 115.700 -0.047 0.000 2.603 694 S HA 0.112 4.581 4.470 -0.001 0.000 0.220 694 S C 0.334 174.902 174.600 -0.053 0.000 0.967 694 S CA -0.559 57.603 58.200 -0.063 0.000 0.920 694 S CB -0.575 62.538 63.200 -0.145 0.000 0.773 694 S HN 0.679 nan 8.310 nan 0.000 0.529 695 N N 1.306 119.985 118.700 -0.035 0.000 2.249 695 N HA 0.547 5.286 4.740 -0.001 0.000 0.296 695 N C -0.844 174.664 175.510 -0.004 0.000 1.051 695 N CA -0.314 52.721 53.050 -0.025 0.000 0.815 695 N CB 2.010 40.475 38.487 -0.035 0.000 1.487 695 N HN 0.277 nan 8.380 nan 0.000 0.475 696 A N 1.294 124.115 122.820 0.002 0.000 2.483 696 A HA 0.373 4.693 4.320 -0.001 0.000 0.238 696 A C 0.100 177.688 177.584 0.007 0.000 1.070 696 A CA 0.086 52.130 52.037 0.011 0.000 0.770 696 A CB 0.267 19.275 19.000 0.013 0.000 1.008 696 A HN 0.396 nan 8.150 nan 0.000 0.497 697 V N 1.763 121.685 119.914 0.012 0.000 2.769 697 V HA 0.646 4.765 4.120 -0.001 0.000 0.312 697 V C 0.265 176.366 176.094 0.011 0.000 1.061 697 V CA -0.370 61.936 62.300 0.010 0.000 0.931 697 V CB 2.169 34.000 31.823 0.013 0.000 1.010 697 V HN 1.000 nan 8.190 nan 0.000 0.433 698 S N 1.066 116.771 115.700 0.007 0.000 2.671 698 S HA 0.757 5.226 4.470 -0.001 0.000 0.299 698 S C 0.639 175.242 174.600 0.005 0.000 1.116 698 S CA 0.158 58.362 58.200 0.007 0.000 0.912 698 S CB 1.707 64.909 63.200 0.004 0.000 1.130 698 S HN 1.750 nan 8.310 nan 0.000 0.501 699 G N 0.837 109.640 108.800 0.005 0.000 2.198 699 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.260 699 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.260 699 G C -0.245 174.657 174.900 0.004 0.000 1.025 699 G CA 0.209 45.310 45.100 0.003 0.000 0.769 699 G HN 0.479 nan 8.290 nan 0.000 0.507 700 L N 0.579 121.806 121.223 0.006 0.000 2.371 700 L HA 0.643 4.982 4.340 -0.001 0.000 0.272 700 L C 0.976 177.849 176.870 0.004 0.000 1.124 700 L CA 0.108 54.952 54.840 0.007 0.000 0.816 700 L CB 1.652 43.718 42.059 0.012 0.000 1.129 700 L HN 0.286 nan 8.230 nan 0.000 0.448 701 T N 1.409 115.965 114.554 0.002 0.000 2.829 701 T HA 0.742 5.091 4.350 -0.001 0.000 0.280 701 T C -0.582 174.118 174.700 -0.000 0.000 0.999 701 T CA -0.637 61.463 62.100 -0.001 0.000 0.983 701 T CB 1.513 70.377 68.868 -0.007 0.000 0.968 701 T HN 0.677 nan 8.240 nan 0.000 0.446 702 A N 3.801 126.621 122.820 -0.000 0.000 2.273 702 A HA 0.659 4.978 4.320 -0.001 0.000 0.315 702 A C 0.184 177.767 177.584 -0.001 0.000 1.256 702 A CA -0.696 51.344 52.037 0.004 0.000 0.851 702 A CB 0.578 19.584 19.000 0.011 0.000 1.172 702 A HN 0.870 nan 8.150 nan 0.000 0.508 703 T N 2.087 116.639 114.554 -0.004 0.000 2.770 703 T HA 0.551 4.900 4.350 -0.001 0.000 0.283 703 T C -0.005 174.692 174.700 -0.005 0.000 0.988 703 T CA -0.239 61.848 62.100 -0.021 0.000 0.957 703 T CB 1.177 70.023 68.868 -0.037 0.000 0.930 703 T HN 0.783 nan 8.240 nan 0.000 0.443 704 T N 3.110 117.666 114.554 0.004 0.000 2.812 704 T HA 0.594 4.943 4.350 -0.001 0.000 0.282 704 T C -1.010 173.715 174.700 0.041 0.000 0.990 704 T CA -0.804 61.333 62.100 0.063 0.000 0.960 704 T CB 0.483 69.439 68.868 0.146 0.000 0.948 704 T HN 0.469 nan 8.240 nan 0.000 0.438 705 K N 4.230 124.646 120.400 0.028 0.000 2.427 705 K HA 0.565 4.884 4.320 -0.001 0.000 0.252 705 K C -1.021 175.568 176.600 -0.019 0.000 0.931 705 K CA -0.827 55.412 56.287 -0.081 0.000 0.793 705 K CB 2.329 34.696 32.500 -0.223 0.000 1.211 705 K HN 0.554 nan 8.250 nan 0.000 0.426 706 L N 3.165 124.362 121.223 -0.043 0.000 2.317 706 L HA 0.532 4.872 4.340 -0.001 0.000 0.281 706 L C -1.077 175.695 176.870 -0.163 0.000 1.024 706 L CA -0.997 53.877 54.840 0.057 0.000 0.810 706 L CB 0.692 42.849 42.059 0.164 0.000 1.240 706 L HN 0.523 nan 8.230 nan 0.000 0.427 707 Y N 0.926 121.380 120.300 0.257 0.000 2.391 707 Y HA 0.344 4.893 4.550 -0.001 0.000 0.341 707 Y C 0.185 176.227 175.900 0.236 0.000 0.965 707 Y CA -1.050 57.201 58.100 0.252 0.000 1.067 707 Y CB 1.611 40.298 38.460 0.378 0.000 1.199 707 Y HN 0.513 nan 8.280 nan 0.000 0.450 708 N N 1.959 120.838 118.700 0.299 0.000 2.371 708 N HA 0.144 4.884 4.740 -0.001 0.000 0.243 708 N C 0.913 176.545 175.510 0.203 0.000 1.287 708 N CA -0.105 53.075 53.050 0.217 0.000 0.911 708 N CB 0.766 39.330 38.487 0.128 0.000 1.142 708 N HN 0.724 nan 8.380 nan 0.000 0.451 709 L N 0.355 121.652 121.223 0.124 0.000 2.549 709 L HA -0.119 4.220 4.340 -0.001 0.000 0.229 709 L C 1.078 177.973 176.870 0.040 0.000 1.158 709 L CA 0.818 55.689 54.840 0.052 0.000 0.842 709 L CB -0.419 41.650 42.059 0.016 0.000 0.952 709 L HN 0.579 nan 8.230 nan 0.000 0.452 710 D N -1.000 119.443 120.400 0.071 0.000 2.354 710 D HA 0.015 4.655 4.640 -0.001 0.000 0.209 710 D C 1.466 177.814 176.300 0.080 0.000 1.015 710 D CA 0.934 54.970 54.000 0.059 0.000 0.867 710 D CB 0.440 41.275 40.800 0.059 0.000 0.933 710 D HN 0.204 nan 8.370 nan 0.000 0.520 711 G N -0.433 108.450 108.800 0.139 0.000 2.201 711 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.212 711 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.212 711 G C 0.298 175.413 174.900 0.359 0.000 0.994 711 G CA 0.060 45.283 45.100 0.205 0.000 0.644 711 G HN 0.385 nan 8.290 nan 0.000 0.508 712 T N 1.645 116.358 114.554 0.265 0.000 2.853 712 T HA 0.373 4.723 4.350 -0.001 0.000 0.298 712 T C 0.331 175.168 174.700 0.230 0.000 0.978 712 T CA 0.377 62.605 62.100 0.214 0.000 1.152 712 T CB 1.504 70.444 68.868 0.120 0.000 0.914 712 T HN 0.409 nan 8.240 nan 0.000 0.539 713 E N 2.477 122.750 120.200 0.122 0.000 2.290 713 E HA 0.063 4.413 4.350 -0.001 0.000 0.277 713 E C 0.498 177.030 176.600 -0.114 0.000 1.035 713 E CA -0.417 55.858 56.400 -0.209 0.000 0.873 713 E CB 0.360 29.898 29.700 -0.271 0.000 1.029 713 E HN 0.390 nan 8.360 nan 0.000 0.419 714 K N 3.524 123.852 120.400 -0.119 0.000 2.373 714 K HA 0.075 4.395 4.320 -0.001 0.000 0.200 714 K C -0.750 175.872 176.600 0.037 0.000 1.054 714 K CA -0.071 56.197 56.287 -0.032 0.000 1.065 714 K CB 0.783 33.268 32.500 -0.025 0.000 0.886 714 K HN 0.519 nan 8.250 nan 0.000 0.546 715 Y N -0.428 119.769 120.300 -0.172 0.000 2.521 715 Y HA 0.373 4.922 4.550 -0.001 0.000 0.328 715 Y C -1.726 174.078 175.900 -0.162 0.000 1.151 715 Y CA -0.823 57.197 58.100 -0.133 0.000 1.054 715 Y CB 1.827 40.230 38.460 -0.095 0.000 1.338 715 Y HN -0.157 nan 8.280 nan 0.000 0.453 716 S N 4.362 119.564 115.700 -0.831 0.000 2.548 716 S HA 0.653 5.122 4.470 -0.001 0.000 0.276 716 S C -2.084 172.018 174.600 -0.830 0.000 1.129 716 S CA -0.584 57.218 58.200 -0.663 0.000 0.931 716 S CB 1.233 64.221 63.200 -0.355 0.000 1.068 716 S HN 0.788 nan 8.310 nan 0.000 0.480 717 N N 1.221 119.609 118.700 -0.521 0.000 2.369 717 N HA 0.531 5.270 4.740 -0.001 0.000 0.287 717 N C -1.897 173.532 175.510 -0.134 0.000 1.067 717 N CA -0.270 52.600 53.050 -0.300 0.000 0.888 717 N CB 2.085 40.468 38.487 -0.175 0.000 1.616 717 N HN 0.418 nan 8.380 nan 0.000 0.482 718 T N 2.105 116.600 114.554 -0.099 0.000 2.864 718 T HA 0.332 4.681 4.350 -0.001 0.000 0.299 718 T C -0.855 173.823 174.700 -0.036 0.000 1.011 718 T CA -0.438 61.627 62.100 -0.059 0.000 0.975 718 T CB 0.826 69.657 68.868 -0.061 0.000 0.962 718 T HN 0.381 nan 8.240 nan 0.000 0.448 719 K N 3.190 123.578 120.400 -0.019 0.000 2.293 719 K HA 0.574 4.894 4.320 -0.001 0.000 0.267 719 K C 0.138 176.733 176.600 -0.007 0.000 1.010 719 K CA -0.440 55.842 56.287 -0.009 0.000 0.875 719 K CB 0.602 33.102 32.500 0.001 0.000 1.106 719 K HN 0.669 nan 8.250 nan 0.000 0.450 720 T N 0.327 114.876 114.554 -0.008 0.000 2.952 720 T HA 0.608 4.957 4.350 -0.001 0.000 0.286 720 T C 0.586 175.284 174.700 -0.003 0.000 1.024 720 T CA -0.331 61.765 62.100 -0.007 0.000 1.029 720 T CB 1.449 70.311 68.868 -0.009 0.000 1.094 720 T HN 0.961 nan 8.240 nan 0.000 0.515 721 G N 0.904 109.703 108.800 -0.001 0.000 2.333 721 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.296 721 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.296 721 G C -0.266 174.636 174.900 0.003 0.000 1.059 721 G CA 0.028 45.128 45.100 0.000 0.000 1.050 721 G HN 0.869 nan 8.290 nan 0.000 0.508 722 L N 0.536 121.762 121.223 0.005 0.000 2.289 722 L HA 0.554 4.893 4.340 -0.001 0.000 0.285 722 L C 0.690 177.566 176.870 0.011 0.000 1.049 722 L CA -0.504 54.341 54.840 0.008 0.000 0.804 722 L CB 1.725 43.791 42.059 0.011 0.000 1.195 722 L HN 0.234 nan 8.230 nan 0.000 0.428 723 S N 1.924 117.632 115.700 0.012 0.000 2.593 723 S HA 0.706 5.175 4.470 -0.001 0.000 0.297 723 S C -0.865 173.747 174.600 0.020 0.000 1.112 723 S CA -0.547 57.661 58.200 0.014 0.000 1.043 723 S CB 2.277 65.484 63.200 0.012 0.000 1.054 723 S HN 0.409 nan 8.310 nan 0.000 0.516 724 V N 2.047 121.975 119.914 0.024 0.000 2.789 724 V HA 0.725 4.844 4.120 -0.001 0.000 0.300 724 V C 0.178 176.294 176.094 0.035 0.000 1.184 724 V CA -0.284 62.036 62.300 0.033 0.000 0.930 724 V CB 1.166 33.013 31.823 0.041 0.000 1.041 724 V HN 0.957 nan 8.190 nan 0.000 0.430 725 G N 4.095 112.919 108.800 0.040 0.000 2.712 725 G HA2 0.586 4.545 3.960 -0.001 0.000 0.258 725 G HA3 0.586 4.545 3.960 -0.001 0.000 0.258 725 G C 0.320 175.252 174.900 0.052 0.000 1.241 725 G CA 0.001 45.126 45.100 0.042 0.000 0.923 725 G HN 1.827 nan 8.290 nan 0.000 0.548 726 A N -1.303 121.548 122.820 0.053 0.000 2.286 726 A HA 0.637 4.956 4.320 -0.001 0.000 0.286 726 A C 0.668 178.306 177.584 0.090 0.000 1.097 726 A CA -0.437 51.633 52.037 0.055 0.000 0.821 726 A CB 0.237 19.258 19.000 0.035 0.000 1.076 726 A HN 1.503 nan 8.150 nan 0.000 0.490 727 L N 0.042 121.316 121.223 0.085 0.000 3.472 727 L HA -0.251 4.089 4.340 -0.001 0.000 0.485 727 L C 1.126 178.106 176.870 0.183 0.000 1.312 727 L CA 0.604 55.512 54.840 0.113 0.000 0.869 727 L CB -1.987 40.154 42.059 0.136 0.000 1.687 727 L HN 2.035 nan 8.230 nan 0.000 0.853 728 G N -1.875 107.013 108.800 0.148 0.000 2.194 728 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.236 728 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.236 728 G C 0.489 175.560 174.900 0.285 0.000 0.987 728 G CA 0.076 45.301 45.100 0.210 0.000 0.635 728 G HN 1.420 nan 8.290 nan 0.000 0.520 729 A N 0.195 123.137 122.820 0.203 0.000 2.386 729 A HA 0.653 4.972 4.320 -0.001 0.000 0.246 729 A C 0.650 178.307 177.584 0.122 0.000 1.089 729 A CA 1.187 53.311 52.037 0.144 0.000 0.790 729 A CB 0.321 19.378 19.000 0.095 0.000 1.042 729 A HN 1.360 nan 8.150 nan 0.000 0.497 730 K N -0.639 119.819 120.400 0.096 0.000 2.378 730 K HA 0.860 5.179 4.320 -0.001 0.000 0.244 730 K C -0.879 175.756 176.600 0.058 0.000 1.039 730 K CA -0.482 55.856 56.287 0.086 0.000 0.863 730 K CB 2.182 34.740 32.500 0.096 0.000 1.326 730 K HN 1.151 nan 8.250 nan 0.000 0.460 731 A N 0.582 123.431 122.820 0.049 0.000 2.549 731 A HA 0.542 4.861 4.320 -0.001 0.000 0.297 731 A C -1.288 176.312 177.584 0.026 0.000 1.061 731 A CA -0.798 51.258 52.037 0.033 0.000 0.690 731 A CB 1.966 20.983 19.000 0.028 0.000 1.287 731 A HN 0.599 nan 8.150 nan 0.000 0.402 732 T N 1.890 116.453 114.554 0.015 0.000 2.749 732 T HA 0.525 4.875 4.350 -0.001 0.000 0.287 732 T C 1.249 175.952 174.700 0.005 0.000 0.970 732 T CA 0.332 62.435 62.100 0.005 0.000 0.980 732 T CB 1.524 70.389 68.868 -0.004 0.000 0.924 732 T HN 1.047 nan 8.240 nan 0.000 0.456 733 A N 3.837 126.661 122.820 0.007 0.000 1.844 733 A HA 0.545 4.865 4.320 -0.001 0.000 0.212 733 A C 0.803 178.396 177.584 0.015 0.000 1.221 733 A CA 0.567 52.612 52.037 0.012 0.000 0.607 733 A CB 0.078 19.089 19.000 0.018 0.000 0.878 733 A HN 0.618 nan 8.150 nan 0.000 0.451 734 V N -1.705 118.220 119.914 0.017 0.000 3.225 734 V HA 0.461 4.580 4.120 -0.001 0.000 0.293 734 V C -1.442 174.652 176.094 -0.001 0.000 1.405 734 V CA -0.489 61.827 62.300 0.026 0.000 1.038 734 V CB 2.150 34.019 31.823 0.075 0.000 1.123 734 V HN 0.272 nan 8.190 nan 0.000 0.447 735 T N 3.657 118.203 114.554 -0.014 0.000 2.753 735 T HA 0.429 4.778 4.350 -0.001 0.000 0.297 735 T C -0.297 174.368 174.700 -0.057 0.000 0.981 735 T CA -0.190 61.875 62.100 -0.058 0.000 0.956 735 T CB 0.976 69.803 68.868 -0.068 0.000 0.936 735 T HN 0.605 nan 8.240 nan 0.000 0.463 736 V N 8.095 127.958 119.914 -0.085 0.000 2.493 736 V HA 0.110 4.230 4.120 -0.001 0.000 0.292 736 V C -1.340 174.621 176.094 -0.222 0.000 1.016 736 V CA -1.144 61.028 62.300 -0.213 0.000 1.097 736 V CB -0.415 31.318 31.823 -0.151 0.000 0.947 736 V HN 0.710 nan 8.190 nan 0.000 0.479 737 P HA 0.314 nan 4.420 nan 0.000 0.276 737 P C -0.456 176.732 177.300 -0.186 0.000 1.261 737 P CA -0.497 62.501 63.100 -0.169 0.000 0.800 737 P CB 0.834 32.468 31.700 -0.110 0.000 1.066 738 A N 0.840 123.590 122.820 -0.116 0.000 2.477 738 A HA 0.372 4.691 4.320 -0.001 0.000 0.246 738 A C -0.065 177.447 177.584 -0.121 0.000 1.078 738 A CA -0.050 51.923 52.037 -0.107 0.000 0.770 738 A CB -0.395 18.564 19.000 -0.068 0.000 1.011 738 A HN 0.340 nan 8.150 nan 0.000 0.494 739 V N 2.855 122.681 119.914 -0.147 0.000 2.540 739 V HA 0.443 4.563 4.120 -0.001 0.000 0.302 739 V C 0.593 176.616 176.094 -0.118 0.000 1.035 739 V CA -0.205 62.017 62.300 -0.131 0.000 0.873 739 V CB 1.787 33.511 31.823 -0.165 0.000 0.992 739 V HN 1.140 nan 8.190 nan 0.000 0.428 740 S N 3.333 118.988 115.700 -0.075 0.000 2.564 740 S HA 0.534 5.003 4.470 -0.001 0.000 0.278 740 S C 1.087 175.645 174.600 -0.071 0.000 1.333 740 S CA 0.513 58.675 58.200 -0.064 0.000 1.048 740 S CB 1.037 64.214 63.200 -0.038 0.000 0.900 740 S HN 2.408 nan 8.310 nan 0.000 0.505 741 G N 1.933 110.692 108.800 -0.068 0.000 2.136 741 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.242 741 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.242 741 G C -0.105 174.749 174.900 -0.076 0.000 0.989 741 G CA 0.163 45.230 45.100 -0.055 0.000 0.682 741 G HN 0.844 nan 8.290 nan 0.000 0.522 742 L N 1.900 123.037 121.223 -0.144 0.000 2.416 742 L HA 0.432 4.772 4.340 -0.001 0.000 0.272 742 L C 1.558 178.368 176.870 -0.100 0.000 1.161 742 L CA 0.072 54.788 54.840 -0.208 0.000 0.845 742 L CB 1.010 42.745 42.059 -0.540 0.000 1.119 742 L HN 0.466 nan 8.230 nan 0.000 0.464 743 S N 0.786 116.476 115.700 -0.016 0.000 2.568 743 S HA 0.001 4.470 4.470 -0.001 0.000 0.282 743 S C 1.222 175.876 174.600 0.089 0.000 1.338 743 S CA -0.383 57.844 58.200 0.045 0.000 1.045 743 S CB 1.002 64.250 63.200 0.079 0.000 0.873 743 S HN 0.705 nan 8.310 nan 0.000 0.516 744 T N 2.244 116.845 114.554 0.078 0.000 2.649 744 T HA -0.114 4.235 4.350 -0.001 0.000 0.268 744 T C 0.791 175.589 174.700 0.162 0.000 1.036 744 T CA 2.013 64.172 62.100 0.097 0.000 1.157 744 T CB -0.623 68.283 68.868 0.063 0.000 0.861 744 T HN 0.817 nan 8.240 nan 0.000 0.445 745 T N 2.226 116.863 114.554 0.139 0.000 2.749 745 T HA 0.572 4.921 4.350 -0.001 0.000 0.287 745 T C -0.671 174.154 174.700 0.209 0.000 0.970 745 T CA -0.774 61.404 62.100 0.130 0.000 0.980 745 T CB 0.532 69.414 68.868 0.025 0.000 0.924 745 T HN 0.468 nan 8.240 nan 0.000 0.456 746 Y N 1.314 121.630 120.300 0.026 0.000 2.698 746 Y HA 0.863 5.413 4.550 -0.001 0.000 0.332 746 Y C -1.555 174.393 175.900 0.080 0.000 1.119 746 Y CA -1.871 56.258 58.100 0.050 0.000 1.109 746 Y CB 1.222 39.714 38.460 0.054 0.000 1.308 746 Y HN 0.353 nan 8.280 nan 0.000 0.499 747 L N 1.955 123.287 121.223 0.182 0.000 2.346 747 L HA 0.873 5.212 4.340 -0.001 0.000 0.274 747 L C -0.682 176.343 176.870 0.258 0.000 1.007 747 L CA -1.348 53.597 54.840 0.175 0.000 0.818 747 L CB 2.141 44.394 42.059 0.324 0.000 1.284 747 L HN 0.884 nan 8.230 nan 0.000 0.424 748 A N 2.654 125.559 122.820 0.142 0.000 2.304 748 A HA 0.542 4.862 4.320 -0.001 0.000 0.314 748 A C -0.782 176.939 177.584 0.229 0.000 1.187 748 A CA -0.589 51.516 52.037 0.113 0.000 0.810 748 A CB 1.106 19.963 19.000 -0.239 0.000 1.183 748 A HN 0.653 nan 8.150 nan 0.000 0.487 749 K N 3.070 123.591 120.400 0.202 0.000 2.293 749 K HA 0.295 4.615 4.320 -0.001 0.000 0.267 749 K C -1.035 175.612 176.600 0.078 0.000 1.010 749 K CA -0.231 56.122 56.287 0.110 0.000 0.875 749 K CB 0.469 32.858 32.500 -0.186 0.000 1.106 749 K HN 0.870 nan 8.250 nan 0.000 0.450 750 N N 3.078 121.852 118.700 0.124 0.000 2.407 750 N HA 0.312 5.051 4.740 -0.001 0.000 0.277 750 N C -1.482 174.067 175.510 0.065 0.000 0.995 750 N CA -0.699 52.413 53.050 0.103 0.000 0.903 750 N CB 2.102 40.688 38.487 0.166 0.000 1.218 750 N HN 0.116 nan 8.380 nan 0.000 0.487 751 V N 2.903 122.834 119.914 0.029 0.000 2.638 751 V HA 0.425 4.545 4.120 -0.001 0.000 0.306 751 V C -0.748 175.352 176.094 0.010 0.000 1.052 751 V CA -0.756 61.554 62.300 0.017 0.000 0.885 751 V CB 2.017 33.838 31.823 -0.004 0.000 0.999 751 V HN 0.457 nan 8.190 nan 0.000 0.424 752 L N 4.985 126.216 121.223 0.012 0.000 2.333 752 L HA 0.880 5.219 4.340 -0.001 0.000 0.280 752 L C 0.101 176.979 176.870 0.014 0.000 1.004 752 L CA 0.288 55.134 54.840 0.010 0.000 0.820 752 L CB 2.048 44.112 42.059 0.008 0.000 1.247 752 L HN 0.909 nan 8.230 nan 0.000 0.416 753 T N 0.261 114.820 114.554 0.009 0.000 2.861 753 T HA 0.654 5.004 4.350 -0.001 0.000 0.287 753 T C -0.477 174.228 174.700 0.008 0.000 1.003 753 T CA -0.841 61.264 62.100 0.009 0.000 0.977 753 T CB 1.374 70.245 68.868 0.005 0.000 0.996 753 T HN 0.624 nan 8.240 nan 0.000 0.448 754 D N 1.589 121.995 120.400 0.010 0.000 2.433 754 D HA 0.243 4.882 4.640 -0.001 0.000 0.255 754 D C 1.658 177.961 176.300 0.005 0.000 1.226 754 D CA -0.195 53.810 54.000 0.008 0.000 1.015 754 D CB 0.407 41.212 40.800 0.008 0.000 1.091 754 D HN 0.502 nan 8.370 nan 0.000 0.527 755 S N -0.803 114.898 115.700 0.003 0.000 2.399 755 S HA -0.227 4.242 4.470 -0.001 0.000 0.231 755 S C 1.776 176.377 174.600 0.001 0.000 1.022 755 S CA 1.147 59.348 58.200 0.001 0.000 0.983 755 S CB -1.033 62.168 63.200 0.001 0.000 0.803 755 S HN 0.620 nan 8.310 nan 0.000 0.480 756 S N 0.494 116.195 115.700 0.001 0.000 2.607 756 S HA 0.404 4.873 4.470 -0.001 0.000 0.224 756 S C 1.628 176.229 174.600 0.002 0.000 0.969 756 S CA 0.611 58.811 58.200 0.001 0.000 0.927 756 S CB -0.663 62.538 63.200 0.001 0.000 0.772 756 S HN 1.491 nan 8.310 nan 0.000 0.533 757 G N 1.083 109.885 108.800 0.003 0.000 2.175 757 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.244 757 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.244 757 G C 0.008 174.911 174.900 0.006 0.000 0.982 757 G CA 0.196 45.298 45.100 0.004 0.000 0.641 757 G HN 0.704 nan 8.290 nan 0.000 0.527 758 K N 1.424 121.829 120.400 0.008 0.000 2.451 758 K HA 0.194 4.514 4.320 -0.001 0.000 0.280 758 K C 0.504 177.112 176.600 0.014 0.000 1.020 758 K CA -0.023 56.271 56.287 0.011 0.000 1.008 758 K CB 0.247 32.753 32.500 0.010 0.000 0.917 758 K HN 0.429 nan 8.250 nan 0.000 0.478 759 E N 3.835 124.046 120.200 0.017 0.000 2.265 759 E HA 0.003 4.352 4.350 -0.001 0.000 0.272 759 E C 0.582 177.198 176.600 0.027 0.000 1.067 759 E CA -0.331 56.082 56.400 0.022 0.000 0.900 759 E CB 0.652 30.367 29.700 0.025 0.000 1.017 759 E HN 0.520 nan 8.360 nan 0.000 0.431 760 V N 0.967 120.898 119.914 0.029 0.000 3.523 760 V HA 0.284 4.403 4.120 -0.001 0.000 0.255 760 V C 0.451 176.577 176.094 0.053 0.000 1.226 760 V CA 0.178 62.499 62.300 0.036 0.000 1.092 760 V CB 0.854 32.696 31.823 0.031 0.000 0.817 760 V HN 0.376 nan 8.190 nan 0.000 0.458 761 S N 0.542 116.273 115.700 0.053 0.000 2.566 761 S HA 0.642 5.112 4.470 -0.001 0.000 0.273 761 S C -0.992 173.642 174.600 0.058 0.000 1.157 761 S CA -0.713 57.530 58.200 0.072 0.000 0.938 761 S CB 1.909 65.151 63.200 0.071 0.000 1.087 761 S HN 0.692 nan 8.310 nan 0.000 0.474 762 R N 3.238 123.788 120.500 0.083 0.000 2.561 762 R HA 0.601 4.941 4.340 -0.001 0.000 0.297 762 R C -1.756 174.622 176.300 0.130 0.000 0.969 762 R CA -0.559 55.596 56.100 0.092 0.000 0.879 762 R CB 1.123 31.478 30.300 0.092 0.000 1.178 762 R HN 0.574 nan 8.270 nan 0.000 0.445 763 N N 3.361 122.150 118.700 0.148 0.000 2.500 763 N HA 0.271 5.010 4.740 -0.001 0.000 0.291 763 N C -1.935 173.718 175.510 0.238 0.000 1.092 763 N CA -0.322 52.835 53.050 0.179 0.000 0.890 763 N CB 2.259 40.858 38.487 0.186 0.000 1.466 763 N HN 0.304 nan 8.380 nan 0.000 0.507 764 V N 4.734 124.777 119.914 0.216 0.000 2.378 764 V HA 0.462 4.581 4.120 -0.001 0.000 0.288 764 V C -0.914 175.341 176.094 0.269 0.000 1.016 764 V CA -0.491 62.024 62.300 0.358 0.000 0.840 764 V CB 0.584 32.710 31.823 0.506 0.000 0.994 764 V HN 0.482 nan 8.190 nan 0.000 0.431 765 Y N 3.273 123.668 120.300 0.159 0.000 2.377 765 Y HA 0.524 5.073 4.550 -0.001 0.000 0.339 765 Y C -0.066 175.842 175.900 0.013 0.000 1.011 765 Y CA -0.816 57.228 58.100 -0.093 0.000 1.093 765 Y CB 1.494 39.766 38.460 -0.312 0.000 1.201 765 Y HN 0.776 nan 8.280 nan 0.000 0.455 766 W N 4.254 125.608 121.300 0.090 0.000 2.314 766 W HA 0.783 5.443 4.660 -0.001 0.000 0.310 766 W C -1.933 174.503 176.519 -0.138 0.000 1.075 766 W CA -0.809 56.467 57.345 -0.115 0.000 1.253 766 W CB 0.186 29.544 29.460 -0.170 0.000 1.238 766 W HN 0.214 nan 8.180 nan 0.000 0.440 767 L N 3.069 124.119 121.223 -0.290 0.000 2.256 767 L HA 0.744 5.084 4.340 -0.001 0.000 0.261 767 L C -0.029 176.666 176.870 -0.292 0.000 1.022 767 L CA -1.239 53.359 54.840 -0.404 0.000 0.828 767 L CB 2.133 43.714 42.059 -0.796 0.000 1.374 767 L HN 0.517 nan 8.230 nan 0.000 0.436 768 S N -1.656 114.030 115.700 -0.023 0.000 2.548 768 S HA 0.308 4.778 4.470 -0.001 0.000 0.286 768 S C 0.568 175.350 174.600 0.303 0.000 1.098 768 S CA -0.179 58.119 58.200 0.162 0.000 0.930 768 S CB 1.681 64.930 63.200 0.081 0.000 1.070 768 S HN 0.762 nan 8.310 nan 0.000 0.480 769 T N 0.562 115.277 114.554 0.268 0.000 3.072 769 T HA 0.126 4.475 4.350 -0.001 0.000 0.266 769 T C 0.538 175.300 174.700 0.103 0.000 1.127 769 T CA 0.764 62.954 62.100 0.151 0.000 1.107 769 T CB -0.241 68.661 68.868 0.057 0.000 0.910 769 T HN 0.411 nan 8.240 nan 0.000 0.513 770 K N 1.417 121.878 120.400 0.102 0.000 2.265 770 K HA 0.645 4.965 4.320 -0.001 0.000 0.267 770 K C -0.478 176.169 176.600 0.079 0.000 0.994 770 K CA -0.739 55.595 56.287 0.078 0.000 0.860 770 K CB 1.243 33.787 32.500 0.073 0.000 1.099 770 K HN 0.262 nan 8.250 nan 0.000 0.448 771 A N 3.810 126.668 122.820 0.063 0.000 2.371 771 A HA 0.158 4.478 4.320 -0.001 0.000 0.257 771 A C -0.494 177.108 177.584 0.030 0.000 1.089 771 A CA -0.396 51.673 52.037 0.054 0.000 0.794 771 A CB 0.301 19.326 19.000 0.041 0.000 1.029 771 A HN 0.762 nan 8.150 nan 0.000 0.488 772 D N 1.569 121.979 120.400 0.017 0.000 2.351 772 D HA 0.408 5.048 4.640 -0.001 0.000 0.251 772 D C 0.258 176.509 176.300 -0.082 0.000 1.137 772 D CA 0.895 54.868 54.000 -0.045 0.000 0.879 772 D CB 1.093 41.875 40.800 -0.031 0.000 1.181 772 D HN 0.659 nan 8.370 nan 0.000 0.448 773 T N -0.711 113.747 114.554 -0.161 0.000 2.903 773 T HA 0.632 4.981 4.350 -0.001 0.000 0.299 773 T C -0.280 174.241 174.700 -0.299 0.000 1.093 773 T CA -0.927 61.073 62.100 -0.166 0.000 1.002 773 T CB 1.095 69.909 68.868 -0.089 0.000 1.127 773 T HN 0.079 nan 8.240 nan 0.000 0.488 774 L N 2.496 123.481 121.223 -0.397 0.000 2.307 774 L HA 0.486 4.826 4.340 -0.001 0.000 0.282 774 L C 0.677 177.228 176.870 -0.533 0.000 1.051 774 L CA -0.820 53.616 54.840 -0.674 0.000 0.804 774 L CB 1.037 42.248 42.059 -1.413 0.000 1.197 774 L HN 0.688 nan 8.230 nan 0.000 0.431 775 N N 1.874 120.320 118.700 -0.422 0.000 2.868 775 N HA 0.030 4.770 4.740 -0.001 0.000 0.252 775 N C 0.522 175.915 175.510 -0.195 0.000 1.130 775 N CA -0.035 52.877 53.050 -0.230 0.000 1.026 775 N CB 0.227 38.621 38.487 -0.156 0.000 1.335 775 N HN 0.572 nan 8.380 nan 0.000 0.516 776 W N 1.886 123.141 121.300 -0.076 0.000 2.342 776 W HA -0.050 4.610 4.660 -0.001 0.000 0.297 776 W C 2.236 178.713 176.519 -0.070 0.000 1.213 776 W CA 0.866 58.168 57.345 -0.071 0.000 1.251 776 W CB -0.053 29.371 29.460 -0.060 0.000 1.136 776 W HN 0.524 nan 8.180 nan 0.000 0.526 777 G N -0.455 108.444 108.800 0.165 0.000 2.598 777 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.215 777 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.215 777 G C 1.511 176.429 174.900 0.031 0.000 1.131 777 G CA 0.744 45.898 45.100 0.090 0.000 0.785 777 G HN 0.368 nan 8.290 nan 0.000 0.539 778 G N 0.210 108.996 108.800 -0.024 0.000 3.141 778 G HA2 0.257 4.217 3.960 -0.001 0.000 0.218 778 G HA3 0.257 4.217 3.960 -0.001 0.000 0.218 778 G C 0.619 175.411 174.900 -0.179 0.000 1.170 778 G CA -0.051 44.998 45.100 -0.085 0.000 0.769 778 G HN 0.295 nan 8.290 nan 0.000 0.546 779 S N 1.050 116.672 115.700 -0.129 0.000 2.537 779 S HA 0.161 4.631 4.470 -0.001 0.000 0.286 779 S C -0.099 174.418 174.600 -0.139 0.000 1.299 779 S CA -0.127 57.965 58.200 -0.180 0.000 1.067 779 S CB 1.482 64.701 63.200 0.031 0.000 0.864 779 S HN 0.316 nan 8.310 nan 0.000 0.494 780 D N 0.919 121.156 120.400 -0.272 0.000 2.549 780 D HA 0.254 4.893 4.640 -0.001 0.000 0.270 780 D C 1.267 177.546 176.300 -0.035 0.000 1.181 780 D CA -0.772 53.134 54.000 -0.156 0.000 1.070 780 D CB 0.536 41.084 40.800 -0.419 0.000 1.154 780 D HN 0.714 nan 8.370 nan 0.000 0.602 781 W N 0.845 122.247 121.300 0.172 0.000 2.465 781 W HA -0.132 4.528 4.660 -0.001 0.000 0.268 781 W C 1.097 177.855 176.519 0.399 0.000 1.242 781 W CA 0.451 57.953 57.345 0.263 0.000 1.248 781 W CB -1.085 28.545 29.460 0.283 0.000 1.118 781 W HN 0.406 nan 8.180 nan 0.000 0.587 782 Y N -0.588 119.525 120.300 -0.311 0.000 2.467 782 Y HA 0.405 4.954 4.550 -0.001 0.000 0.250 782 Y C -0.078 175.948 175.900 0.210 0.000 1.155 782 Y CA -0.911 57.163 58.100 -0.045 0.000 1.249 782 Y CB -0.859 37.295 38.460 -0.511 0.000 1.146 782 Y HN 0.042 nan 8.280 nan 0.000 0.524 783 Y N -2.271 117.785 120.300 -0.407 0.000 2.774 783 Y HA 0.628 5.177 4.550 -0.001 0.000 0.346 783 Y C -1.809 173.914 175.900 -0.295 0.000 1.222 783 Y CA -1.466 56.431 58.100 -0.340 0.000 1.088 783 Y CB 0.854 39.143 38.460 -0.284 0.000 1.354 783 Y HN -0.186 nan 8.280 nan 0.000 0.455 784 T N 4.619 118.803 114.554 -0.617 0.000 2.812 784 T HA 0.498 4.848 4.350 -0.001 0.000 0.282 784 T C -2.905 171.374 174.700 -0.703 0.000 0.990 784 T CA -1.432 60.264 62.100 -0.673 0.000 0.960 784 T CB 1.702 70.357 68.868 -0.355 0.000 0.948 784 T HN 0.467 nan 8.240 nan 0.000 0.438 785 P HA 0.286 nan 4.420 nan 0.000 0.276 785 P C -0.893 176.226 177.300 -0.301 0.000 1.261 785 P CA -0.721 62.199 63.100 -0.299 0.000 0.800 785 P CB 0.876 32.475 31.700 -0.169 0.000 1.066 786 Q N -0.264 119.379 119.800 -0.261 0.000 2.271 786 Q HA 0.228 4.567 4.340 -0.001 0.000 0.258 786 Q C 1.129 176.907 176.000 -0.370 0.000 0.936 786 Q CA -0.386 55.135 55.803 -0.470 0.000 0.909 786 Q CB 1.298 29.482 28.738 -0.923 0.000 1.253 786 Q HN 0.452 nan 8.270 nan 0.000 0.440 787 S N 0.960 116.479 115.700 -0.301 0.000 2.436 787 S HA 0.199 4.668 4.470 -0.001 0.000 0.228 787 S C 0.609 175.123 174.600 -0.143 0.000 1.014 787 S CA 0.374 58.476 58.200 -0.163 0.000 0.950 787 S CB 0.317 63.448 63.200 -0.116 0.000 0.784 787 S HN 0.611 nan 8.310 nan 0.000 0.504 788 A N 0.034 122.697 122.820 -0.261 0.000 2.594 788 A HA 0.722 5.041 4.320 -0.001 0.000 0.295 788 A C -1.571 175.827 177.584 -0.309 0.000 1.071 788 A CA -0.832 51.114 52.037 -0.151 0.000 0.685 788 A CB 0.787 19.767 19.000 -0.033 0.000 1.285 788 A HN 0.247 nan 8.150 nan 0.000 0.405 789 F N 0.891 120.849 119.950 0.014 0.000 2.508 789 F HA 0.685 5.211 4.527 -0.001 0.000 0.325 789 F C 0.923 176.731 175.800 0.012 0.000 1.090 789 F CA -0.110 57.901 58.000 0.019 0.000 0.945 789 F CB 2.115 41.125 39.000 0.016 0.000 1.156 789 F HN 0.818 nan 8.300 nan 0.000 0.463 790 A N 1.048 123.980 122.820 0.187 0.000 2.406 790 A HA 0.311 4.631 4.320 -0.001 0.000 0.243 790 A C -0.605 177.024 177.584 0.074 0.000 1.082 790 A CA -0.170 51.929 52.037 0.103 0.000 0.786 790 A CB 0.125 19.162 19.000 0.061 0.000 1.029 790 A HN 0.674 nan 8.150 nan 0.000 0.495 791 D N 1.362 121.787 120.400 0.041 0.000 2.460 791 D HA 0.457 5.096 4.640 -0.001 0.000 0.232 791 D C 0.028 176.313 176.300 -0.026 0.000 1.079 791 D CA -0.133 53.874 54.000 0.011 0.000 0.864 791 D CB 0.526 41.349 40.800 0.037 0.000 1.048 791 D HN 0.349 nan 8.370 nan 0.000 0.523 792 L N 2.316 123.470 121.223 -0.115 0.000 2.766 792 L HA 0.062 4.402 4.340 -0.001 0.000 0.242 792 L C 2.130 178.930 176.870 -0.116 0.000 1.136 792 L CA -0.029 54.712 54.840 -0.165 0.000 0.933 792 L CB 0.187 42.009 42.059 -0.395 0.000 1.241 792 L HN 0.280 nan 8.230 nan 0.000 0.522 793 S N -0.015 115.656 115.700 -0.048 0.000 2.465 793 S HA -0.155 4.314 4.470 -0.001 0.000 0.241 793 S C 2.115 176.744 174.600 0.048 0.000 1.000 793 S CA 1.047 59.264 58.200 0.029 0.000 0.964 793 S CB -0.807 62.415 63.200 0.038 0.000 0.763 793 S HN 0.466 nan 8.310 nan 0.000 0.512 794 G N 2.360 111.172 108.800 0.021 0.000 2.507 794 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.221 794 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.221 794 G C 1.306 176.225 174.900 0.032 0.000 1.119 794 G CA 1.109 46.224 45.100 0.026 0.000 0.751 794 G HN 0.586 nan 8.290 nan 0.000 0.574 795 L N 0.110 121.330 121.223 -0.005 0.000 2.187 795 L HA -0.130 4.209 4.340 -0.001 0.000 0.213 795 L C 2.552 179.661 176.870 0.398 0.000 1.100 795 L CA 1.118 55.968 54.840 0.018 0.000 0.765 795 L CB -0.523 41.314 42.059 -0.370 0.000 0.904 795 L HN 0.213 nan 8.230 nan 0.000 0.437 796 N N 0.124 119.003 118.700 0.298 0.000 2.205 796 N HA -0.156 4.583 4.740 -0.001 0.000 0.186 796 N C 1.019 176.613 175.510 0.141 0.000 1.015 796 N CA 1.192 54.386 53.050 0.239 0.000 0.862 796 N CB -0.017 38.559 38.487 0.148 0.000 0.986 796 N HN 0.375 nan 8.380 nan 0.000 0.429 797 N N 0.092 118.861 118.700 0.116 0.000 2.200 797 N HA 0.061 4.801 4.740 -0.001 0.000 0.224 797 N C -0.558 174.990 175.510 0.063 0.000 1.179 797 N CA -0.288 52.802 53.050 0.067 0.000 0.877 797 N CB 0.458 38.972 38.487 0.044 0.000 1.072 797 N HN 0.135 nan 8.380 nan 0.000 0.519 798 L N 2.254 123.537 121.223 0.100 0.000 2.628 798 L HA 0.173 4.512 4.340 -0.001 0.000 0.274 798 L C 0.923 177.826 176.870 0.055 0.000 1.209 798 L CA -0.044 54.835 54.840 0.065 0.000 0.930 798 L CB -0.125 41.979 42.059 0.075 0.000 1.183 798 L HN 0.137 nan 8.230 nan 0.000 0.492 799 G N 4.385 113.194 108.800 0.016 0.000 2.554 799 G HA2 0.095 4.055 3.960 -0.001 0.000 0.238 799 G HA3 0.095 4.055 3.960 -0.001 0.000 0.238 799 G C -0.297 174.600 174.900 -0.005 0.000 1.259 799 G CA -0.632 44.468 45.100 0.001 0.000 0.843 799 G HN 0.715 nan 8.290 nan 0.000 0.582 800 Q N 0.045 119.834 119.800 -0.018 0.000 2.300 800 Q HA 0.171 4.511 4.340 -0.001 0.000 0.280 800 Q C 0.534 176.514 176.000 -0.033 0.000 1.033 800 Q CA 0.198 55.984 55.803 -0.028 0.000 0.903 800 Q CB 1.374 30.090 28.738 -0.038 0.000 1.195 800 Q HN 0.460 nan 8.270 nan 0.000 0.386 801 S N 0.409 116.086 115.700 -0.039 0.000 2.694 801 S HA 0.905 5.374 4.470 -0.001 0.000 0.286 801 S C -1.252 173.320 174.600 -0.047 0.000 1.080 801 S CA 0.050 58.218 58.200 -0.053 0.000 0.953 801 S CB 1.238 64.390 63.200 -0.081 0.000 1.313 801 S HN 0.702 nan 8.310 nan 0.000 0.555 802 A N -0.216 122.574 122.820 -0.050 0.000 2.604 802 A HA 0.743 5.062 4.320 -0.001 0.000 0.295 802 A C -1.663 175.895 177.584 -0.044 0.000 1.067 802 A CA -0.443 51.568 52.037 -0.043 0.000 0.683 802 A CB 1.379 20.359 19.000 -0.034 0.000 1.281 802 A HN 1.010 nan 8.150 nan 0.000 0.407 803 V N 0.369 120.258 119.914 -0.042 0.000 2.852 803 V HA 0.677 4.796 4.120 -0.001 0.000 0.300 803 V C 0.389 176.463 176.094 -0.034 0.000 1.205 803 V CA 1.038 63.314 62.300 -0.040 0.000 0.940 803 V CB 1.750 33.540 31.823 -0.055 0.000 1.047 803 V HN 2.729 nan 8.190 nan 0.000 0.429 804 G N 4.392 113.177 108.800 -0.025 0.000 2.157 804 G HA2 0.348 4.307 3.960 -0.001 0.000 0.118 804 G HA3 0.348 4.307 3.960 -0.001 0.000 0.118 804 G C -0.066 174.825 174.900 -0.015 0.000 1.032 804 G CA 0.026 45.114 45.100 -0.019 0.000 0.697 804 G HN 1.901 nan 8.290 nan 0.000 0.495 805 A N -0.106 122.706 122.820 -0.013 0.000 2.343 805 A HA 0.923 5.243 4.320 -0.001 0.000 0.316 805 A C -0.126 177.461 177.584 0.004 0.000 1.104 805 A CA 0.010 52.043 52.037 -0.006 0.000 0.768 805 A CB 1.957 20.950 19.000 -0.012 0.000 1.213 805 A HN 0.667 nan 8.150 nan 0.000 0.456 806 T N 0.883 115.445 114.554 0.012 0.000 2.893 806 T HA 0.782 5.131 4.350 -0.001 0.000 0.291 806 T C -0.581 174.137 174.700 0.030 0.000 1.028 806 T CA 0.206 62.316 62.100 0.017 0.000 0.995 806 T CB 1.596 70.472 68.868 0.014 0.000 1.051 806 T HN 1.616 nan 8.240 nan 0.000 0.470 807 A N 3.194 126.033 122.820 0.031 0.000 2.520 807 A HA 0.809 5.129 4.320 -0.001 0.000 0.298 807 A C -1.106 176.497 177.584 0.033 0.000 1.051 807 A CA -0.776 51.287 52.037 0.043 0.000 0.690 807 A CB 1.494 20.529 19.000 0.059 0.000 1.281 807 A HN 0.774 nan 8.150 nan 0.000 0.402 808 N N 0.280 118.999 118.700 0.032 0.000 2.396 808 N HA 0.639 5.378 4.740 -0.001 0.000 0.275 808 N C -1.469 174.050 175.510 0.015 0.000 1.218 808 N CA -0.296 52.766 53.050 0.019 0.000 0.812 808 N CB 2.016 40.509 38.487 0.010 0.000 1.592 808 N HN 0.538 nan 8.380 nan 0.000 0.480 809 S N 0.871 116.575 115.700 0.007 0.000 2.521 809 S HA 0.514 4.984 4.470 -0.001 0.000 0.295 809 S C -0.872 173.709 174.600 -0.032 0.000 1.098 809 S CA -0.575 57.621 58.200 -0.007 0.000 0.999 809 S CB 2.010 65.225 63.200 0.024 0.000 1.034 809 S HN 0.314 nan 8.310 nan 0.000 0.483 810 V N 2.211 122.086 119.914 -0.065 0.000 2.409 810 V HA 0.684 4.804 4.120 -0.001 0.000 0.291 810 V C 0.096 176.127 176.094 -0.104 0.000 1.020 810 V CA -0.834 61.425 62.300 -0.070 0.000 0.848 810 V CB 1.424 33.208 31.823 -0.065 0.000 0.990 810 V HN 1.025 nan 8.190 nan 0.000 0.430 811 A N 3.954 126.723 122.820 -0.085 0.000 2.347 811 A HA 0.715 5.035 4.320 -0.001 0.000 0.287 811 A C 0.678 178.210 177.584 -0.088 0.000 1.199 811 A CA 0.247 52.225 52.037 -0.098 0.000 0.851 811 A CB 0.258 19.218 19.000 -0.067 0.000 1.118 811 A HN 1.044 nan 8.150 nan 0.000 0.525 812 G N 0.285 109.022 108.800 -0.106 0.000 2.477 812 G HA2 0.495 4.454 3.960 -0.001 0.000 0.304 812 G HA3 0.495 4.454 3.960 -0.001 0.000 0.304 812 G C 0.916 175.775 174.900 -0.067 0.000 1.175 812 G CA 0.071 45.120 45.100 -0.085 0.000 0.907 812 G HN 1.220 nan 8.290 nan 0.000 0.509 813 A N 0.158 122.946 122.820 -0.053 0.000 2.119 813 A HA 0.048 4.368 4.320 -0.001 0.000 0.216 813 A C 1.713 179.272 177.584 -0.042 0.000 1.152 813 A CA 1.635 53.647 52.037 -0.042 0.000 0.708 813 A CB -0.155 18.825 19.000 -0.033 0.000 0.805 813 A HN 0.624 nan 8.150 nan 0.000 0.460 814 D N -1.574 118.796 120.400 -0.050 0.000 2.324 814 D HA 0.242 4.882 4.640 -0.001 0.000 0.235 814 D C 1.125 177.394 176.300 -0.052 0.000 1.095 814 D CA 0.746 54.718 54.000 -0.047 0.000 0.871 814 D CB -0.732 40.038 40.800 -0.050 0.000 0.906 814 D HN 0.656 nan 8.370 nan 0.000 0.522 815 G N -0.105 108.661 108.800 -0.057 0.000 2.179 815 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.260 815 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.260 815 G C 0.409 175.256 174.900 -0.088 0.000 0.977 815 G CA 0.605 45.669 45.100 -0.059 0.000 0.641 815 G HN 0.866 nan 8.290 nan 0.000 0.533 816 T N -1.759 112.723 114.554 -0.120 0.000 2.918 816 T HA 0.718 5.067 4.350 -0.001 0.000 0.286 816 T C -0.237 174.298 174.700 -0.274 0.000 1.026 816 T CA 0.214 62.198 62.100 -0.194 0.000 1.031 816 T CB 2.553 71.313 68.868 -0.181 0.000 1.046 816 T HN 0.315 nan 8.240 nan 0.000 0.479 817 T N 2.221 116.477 114.554 -0.497 0.000 2.823 817 T HA 0.554 4.903 4.350 -0.001 0.000 0.279 817 T C -0.345 173.950 174.700 -0.675 0.000 0.998 817 T CA -0.524 61.234 62.100 -0.571 0.000 0.994 817 T CB 1.406 69.889 68.868 -0.643 0.000 0.960 817 T HN 0.752 nan 8.240 nan 0.000 0.448 818 T N 3.229 117.560 114.554 -0.372 0.000 2.788 818 T HA 0.374 4.723 4.350 -0.001 0.000 0.296 818 T C 0.061 174.667 174.700 -0.157 0.000 1.009 818 T CA -0.413 61.528 62.100 -0.266 0.000 0.949 818 T CB 0.703 69.471 68.868 -0.167 0.000 0.946 818 T HN 0.482 nan 8.240 nan 0.000 0.453 819 T N 3.979 118.480 114.554 -0.087 0.000 2.743 819 T HA 0.386 4.735 4.350 -0.001 0.000 0.293 819 T C 0.344 175.027 174.700 -0.027 0.000 0.945 819 T CA -0.258 61.842 62.100 -0.000 0.000 1.030 819 T CB 0.662 69.592 68.868 0.104 0.000 0.912 819 T HN 0.434 nan 8.240 nan 0.000 0.483 820 T N 3.098 117.659 114.554 0.012 0.000 2.824 820 T HA 0.573 4.923 4.350 -0.001 0.000 0.280 820 T C -0.696 174.052 174.700 0.081 0.000 0.995 820 T CA -0.529 61.596 62.100 0.041 0.000 1.009 820 T CB 1.490 70.371 68.868 0.022 0.000 0.955 820 T HN 0.417 nan 8.240 nan 0.000 0.452 821 V N 3.688 123.679 119.914 0.128 0.000 2.577 821 V HA 0.594 4.714 4.120 -0.001 0.000 0.303 821 V C -0.653 175.490 176.094 0.082 0.000 1.042 821 V CA -0.355 62.018 62.300 0.122 0.000 0.872 821 V CB 2.112 34.048 31.823 0.189 0.000 0.998 821 V HN 0.954 nan 8.190 nan 0.000 0.423 822 T N 8.591 123.174 114.554 0.049 0.000 2.758 822 T HA 0.605 4.955 4.350 -0.001 0.000 0.285 822 T C -0.434 174.275 174.700 0.014 0.000 0.981 822 T CA -0.138 61.980 62.100 0.030 0.000 0.965 822 T CB 0.718 69.600 68.868 0.024 0.000 0.927 822 T HN 0.545 nan 8.240 nan 0.000 0.448 823 L N 3.574 124.798 121.223 0.003 0.000 2.322 823 L HA 0.639 4.979 4.340 -0.001 0.000 0.281 823 L C 0.046 176.911 176.870 -0.008 0.000 1.014 823 L CA -0.813 54.018 54.840 -0.015 0.000 0.815 823 L CB 1.668 43.701 42.059 -0.043 0.000 1.247 823 L HN 0.414 nan 8.230 nan 0.000 0.421 824 K N 2.352 122.747 120.400 -0.009 0.000 2.427 824 K HA 0.284 4.603 4.320 -0.001 0.000 0.252 824 K C -0.861 175.733 176.600 -0.010 0.000 0.931 824 K CA -0.796 55.490 56.287 -0.001 0.000 0.793 824 K CB 1.698 34.201 32.500 0.005 0.000 1.211 824 K HN 0.474 nan 8.250 nan 0.000 0.426 825 N N 2.559 121.256 118.700 -0.004 0.000 2.416 825 N HA -0.022 4.717 4.740 -0.001 0.000 0.265 825 N C 0.042 175.547 175.510 -0.008 0.000 1.195 825 N CA 0.315 53.355 53.050 -0.017 0.000 0.943 825 N CB 0.995 39.468 38.487 -0.022 0.000 1.115 825 N HN 0.694 nan 8.380 nan 0.000 0.481 826 T N -0.658 113.886 114.554 -0.016 0.000 3.134 826 T HA 0.110 4.459 4.350 -0.001 0.000 0.260 826 T C 0.645 175.339 174.700 -0.011 0.000 1.027 826 T CA -0.484 61.610 62.100 -0.009 0.000 0.913 826 T CB -0.502 68.360 68.868 -0.010 0.000 1.046 826 T HN 0.393 nan 8.240 nan 0.000 0.553 827 S N 0.316 116.005 115.700 -0.018 0.000 2.579 827 S HA 0.463 4.933 4.470 -0.001 0.000 0.275 827 S C 1.411 176.006 174.600 -0.008 0.000 1.345 827 S CA -0.168 58.021 58.200 -0.020 0.000 1.031 827 S CB 1.019 64.199 63.200 -0.034 0.000 0.892 827 S HN 0.396 nan 8.310 nan 0.000 0.529 828 G N 0.808 109.605 108.800 -0.006 0.000 3.088 828 G HA2 0.477 4.436 3.960 -0.001 0.000 0.212 828 G HA3 0.477 4.436 3.960 -0.001 0.000 0.212 828 G C 0.502 175.406 174.900 0.007 0.000 1.173 828 G CA 0.016 45.117 45.100 0.002 0.000 0.779 828 G HN 1.002 nan 8.290 nan 0.000 0.540 829 G N -0.487 108.315 108.800 0.003 0.000 3.175 829 G HA2 0.451 4.410 3.960 -0.001 0.000 0.153 829 G HA3 0.451 4.410 3.960 -0.001 0.000 0.153 829 G C 0.415 175.325 174.900 0.017 0.000 1.216 829 G CA -0.589 44.516 45.100 0.009 0.000 0.943 829 G HN 0.103 nan 8.290 nan 0.000 0.611 830 R N -1.433 119.075 120.500 0.014 0.000 2.509 830 R HA 0.395 4.735 4.340 -0.001 0.000 0.297 830 R C 0.060 176.340 176.300 -0.033 0.000 0.951 830 R CA -0.156 55.969 56.100 0.040 0.000 1.103 830 R CB 0.085 30.431 30.300 0.076 0.000 1.283 830 R HN 0.244 nan 8.270 nan 0.000 0.534 831 L N 3.287 124.454 121.223 -0.093 0.000 2.305 831 L HA 0.389 4.729 4.340 -0.001 0.000 0.281 831 L C -2.037 174.614 176.870 -0.365 0.000 1.085 831 L CA -2.090 52.634 54.840 -0.194 0.000 0.813 831 L CB 0.956 42.944 42.059 -0.118 0.000 1.157 831 L HN -0.109 nan 8.230 nan 0.000 0.436 832 P HA 0.096 nan 4.420 nan 0.000 0.274 832 P C -0.966 176.085 177.300 -0.414 0.000 1.231 832 P CA -0.519 62.036 63.100 -0.908 0.000 0.790 832 P CB 0.965 31.633 31.700 -1.720 0.000 0.951 833 A N 3.138 125.783 122.820 -0.291 0.000 2.343 833 A HA 0.370 4.690 4.320 -0.001 0.000 0.305 833 A C -0.616 176.915 177.584 -0.087 0.000 1.308 833 A CA -0.372 51.587 52.037 -0.130 0.000 0.949 833 A CB -1.005 17.933 19.000 -0.103 0.000 1.148 833 A HN 0.492 nan 8.150 nan 0.000 0.545 834 F N 3.213 123.064 119.950 -0.166 0.000 2.408 834 F HA 0.465 4.991 4.527 -0.001 0.000 0.344 834 F C -0.014 175.781 175.800 -0.008 0.000 1.112 834 F CA -0.803 57.113 58.000 -0.140 0.000 1.096 834 F CB 0.412 39.304 39.000 -0.180 0.000 1.129 834 F HN 0.670 nan 8.300 nan 0.000 0.486 835 Y N 4.285 123.968 120.300 -1.028 0.000 2.942 835 Y HA -0.150 4.400 4.550 -0.001 0.000 0.149 835 Y C -1.403 174.216 175.900 -0.470 0.000 1.751 835 Y CA 0.281 57.813 58.100 -0.947 0.000 0.938 835 Y CB -0.972 36.616 38.460 -1.453 0.000 1.525 835 Y HN 0.405 nan 8.280 nan 0.000 0.350 836 V N 4.909 124.519 119.914 -0.506 0.000 2.333 836 V HA 0.244 4.364 4.120 -0.001 0.000 0.274 836 V C 0.074 175.866 176.094 -0.502 0.000 1.028 836 V CA -0.522 61.553 62.300 -0.375 0.000 0.851 836 V CB 1.513 33.180 31.823 -0.261 0.000 1.000 836 V HN 0.502 nan 8.190 nan 0.000 0.456 837 D N 3.350 123.489 120.400 -0.435 0.000 2.280 837 D HA 0.402 5.042 4.640 -0.001 0.000 0.236 837 D C -0.311 175.776 176.300 -0.355 0.000 1.082 837 D CA 0.061 53.786 54.000 -0.457 0.000 0.834 837 D CB 1.743 42.383 40.800 -0.267 0.000 1.100 837 D HN 0.463 nan 8.370 nan 0.000 0.486 838 S N 3.441 118.834 115.700 -0.511 0.000 2.475 838 S HA 0.529 4.999 4.470 -0.001 0.000 0.298 838 S C -0.472 173.955 174.600 -0.288 0.000 1.119 838 S CA -0.850 57.102 58.200 -0.413 0.000 1.085 838 S CB 1.275 64.128 63.200 -0.578 0.000 1.028 838 S HN 0.235 nan 8.310 nan 0.000 0.489 839 K N 2.244 122.657 120.400 0.022 0.000 2.507 839 K HA 0.323 4.643 4.320 -0.001 0.000 0.252 839 K C -1.076 175.650 176.600 0.211 0.000 0.943 839 K CA -0.636 55.761 56.287 0.183 0.000 0.808 839 K CB 1.822 34.364 32.500 0.071 0.000 1.142 839 K HN 0.393 nan 8.250 nan 0.000 0.426 840 V N 3.887 123.956 119.914 0.260 0.000 2.425 840 V HA 0.042 4.162 4.120 -0.001 0.000 0.276 840 V C 0.580 176.622 176.094 -0.087 0.000 1.017 840 V CA -0.331 61.960 62.300 -0.014 0.000 1.062 840 V CB 0.097 31.730 31.823 -0.317 0.000 0.997 840 V HN 0.492 nan 8.190 nan 0.000 0.476 841 V N 2.183 122.058 119.914 -0.065 0.000 2.919 841 V HA 0.814 4.933 4.120 -0.001 0.000 0.316 841 V C -0.161 175.889 176.094 -0.074 0.000 1.077 841 V CA -1.029 61.231 62.300 -0.066 0.000 0.977 841 V CB 2.088 33.891 31.823 -0.033 0.000 1.039 841 V HN 0.738 nan 8.190 nan 0.000 0.441 842 D N 1.655 122.015 120.400 -0.067 0.000 2.425 842 D HA 0.229 4.868 4.640 -0.001 0.000 0.274 842 D C 1.456 177.735 176.300 -0.034 0.000 1.242 842 D CA 0.290 54.260 54.000 -0.050 0.000 1.060 842 D CB 0.487 41.258 40.800 -0.048 0.000 1.112 842 D HN 0.785 nan 8.370 nan 0.000 0.561 843 S N -1.528 114.157 115.700 -0.026 0.000 2.453 843 S HA -0.017 4.453 4.470 -0.001 0.000 0.231 843 S C 1.845 176.431 174.600 -0.024 0.000 1.005 843 S CA 0.596 58.783 58.200 -0.021 0.000 0.949 843 S CB -0.768 62.422 63.200 -0.016 0.000 0.774 843 S HN 0.647 nan 8.310 nan 0.000 0.510 844 A N 0.722 123.525 122.820 -0.029 0.000 2.208 844 A HA 0.555 4.875 4.320 -0.001 0.000 0.209 844 A C 1.774 179.338 177.584 -0.033 0.000 1.161 844 A CA 0.581 52.599 52.037 -0.031 0.000 0.782 844 A CB -1.072 17.907 19.000 -0.035 0.000 0.816 844 A HN 1.542 nan 8.150 nan 0.000 0.477 845 G N -0.700 108.080 108.800 -0.034 0.000 2.141 845 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.242 845 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.242 845 G C 0.177 175.054 174.900 -0.038 0.000 0.982 845 G CA 0.475 45.556 45.100 -0.033 0.000 0.662 845 G HN 0.759 nan 8.290 nan 0.000 0.527 846 K N 1.323 121.695 120.400 -0.047 0.000 2.234 846 K HA 0.606 4.926 4.320 -0.001 0.000 0.282 846 K C -2.295 174.269 176.600 -0.059 0.000 1.039 846 K CA -2.425 53.829 56.287 -0.056 0.000 0.928 846 K CB 0.756 33.216 32.500 -0.066 0.000 1.039 846 K HN 0.044 nan 8.250 nan 0.000 0.470 847 P HA -0.032 nan 4.420 nan 0.000 0.268 847 P C -0.985 176.268 177.300 -0.078 0.000 1.204 847 P CA -0.296 62.774 63.100 -0.050 0.000 0.768 847 P CB 0.603 32.291 31.700 -0.019 0.000 0.842 848 V N 5.293 125.130 119.914 -0.128 0.000 2.427 848 V HA 0.238 4.357 4.120 -0.001 0.000 0.268 848 V C 0.456 176.475 176.094 -0.126 0.000 1.046 848 V CA 0.211 62.406 62.300 -0.176 0.000 0.970 848 V CB -0.389 31.202 31.823 -0.386 0.000 1.001 848 V HN 0.355 nan 8.190 nan 0.000 0.476 849 L N 6.797 127.987 121.223 -0.054 0.000 2.409 849 L HA 0.606 4.945 4.340 -0.001 0.000 0.262 849 L C -2.316 174.555 176.870 0.000 0.000 0.992 849 L CA -1.815 53.026 54.840 0.002 0.000 0.817 849 L CB 3.014 45.096 42.059 0.037 0.000 1.350 849 L HN 0.414 nan 8.230 nan 0.000 0.411 850 P HA 0.217 nan 4.420 nan 0.000 0.274 850 P C -1.170 176.199 177.300 0.114 0.000 1.237 850 P CA -0.251 62.867 63.100 0.031 0.000 0.793 850 P CB 2.150 33.748 31.700 -0.172 0.000 0.977 851 V N 0.647 120.692 119.914 0.218 0.000 2.971 851 V HA 0.356 4.476 4.120 -0.001 0.000 0.309 851 V C -1.239 174.913 176.094 0.097 0.000 1.130 851 V CA -0.633 61.725 62.300 0.097 0.000 0.964 851 V CB 2.321 34.122 31.823 -0.037 0.000 1.029 851 V HN 0.546 nan 8.190 nan 0.000 0.427 852 E N 5.029 125.227 120.200 -0.005 0.000 2.216 852 E HA 0.362 4.712 4.350 -0.001 0.000 0.260 852 E C -1.827 174.727 176.600 -0.078 0.000 0.880 852 E CA -0.291 56.118 56.400 0.016 0.000 0.765 852 E CB 1.758 31.499 29.700 0.069 0.000 1.174 852 E HN 0.642 nan 8.360 nan 0.000 0.417 853 W N 2.918 124.246 121.300 0.047 0.000 2.512 853 W HA 0.180 4.840 4.660 -0.001 0.000 0.335 853 W C 1.697 178.231 176.519 0.025 0.000 1.088 853 W CA -0.585 56.781 57.345 0.035 0.000 1.236 853 W CB 0.716 30.191 29.460 0.025 0.000 1.307 853 W HN 0.510 nan 8.180 nan 0.000 0.567 854 N N 0.498 119.353 118.700 0.259 0.000 2.244 854 N HA -0.134 4.605 4.740 -0.001 0.000 0.183 854 N C -0.210 175.380 175.510 0.134 0.000 1.016 854 N CA 1.410 54.551 53.050 0.151 0.000 0.866 854 N CB 0.175 38.726 38.487 0.107 0.000 0.980 854 N HN 0.519 nan 8.380 nan 0.000 0.430 855 D N -1.712 118.782 120.400 0.157 0.000 2.653 855 D HA 0.438 5.078 4.640 -0.001 0.000 0.258 855 D C -1.751 174.475 176.300 -0.123 0.000 1.252 855 D CA -0.596 53.420 54.000 0.027 0.000 0.777 855 D CB 1.242 42.047 40.800 0.010 0.000 1.339 855 D HN 0.036 nan 8.370 nan 0.000 0.422 856 N N -0.284 118.213 118.700 -0.338 0.000 3.373 856 N HA 0.511 5.251 4.740 -0.001 0.000 0.275 856 N C -1.425 173.630 175.510 -0.758 0.000 1.489 856 N CA 0.379 52.995 53.050 -0.724 0.000 0.872 856 N CB 1.171 38.948 38.487 -1.182 0.000 1.555 856 N HN 1.028 nan 8.380 nan 0.000 0.500 857 A N -0.138 122.088 122.820 -0.990 0.000 2.610 857 A HA -0.115 4.205 4.320 -0.001 0.000 0.299 857 A C 0.315 177.498 177.584 -0.668 0.000 1.487 857 A CA 1.065 52.485 52.037 -1.029 0.000 0.743 857 A CB -2.498 15.862 19.000 -1.067 0.000 1.070 857 A HN 1.191 nan 8.150 nan 0.000 0.439 858 V N -2.173 117.443 119.914 -0.497 0.000 2.863 858 V HA 0.915 5.035 4.120 -0.001 0.000 0.307 858 V C 0.457 176.424 176.094 -0.212 0.000 1.061 858 V CA -0.104 62.038 62.300 -0.263 0.000 1.024 858 V CB 2.001 33.711 31.823 -0.189 0.000 1.049 858 V HN 1.029 nan 8.190 nan 0.000 0.471 859 S N 3.377 119.052 115.700 -0.042 0.000 2.500 859 S HA 0.815 5.284 4.470 -0.001 0.000 0.301 859 S C -0.704 173.976 174.600 0.134 0.000 1.092 859 S CA -0.555 57.664 58.200 0.031 0.000 1.030 859 S CB 1.179 64.499 63.200 0.200 0.000 1.031 859 S HN 0.719 nan 8.310 nan 0.000 0.483 860 L N 2.007 123.257 121.223 0.045 0.000 2.410 860 L HA 0.537 4.877 4.340 -0.001 0.000 0.270 860 L C -0.566 176.347 176.870 0.072 0.000 0.983 860 L CA -0.612 54.309 54.840 0.135 0.000 0.822 860 L CB 1.404 43.490 42.059 0.045 0.000 1.285 860 L HN 0.554 nan 8.230 nan 0.000 0.409 861 W N 2.084 123.360 121.300 -0.040 0.000 2.141 861 W HA 0.287 4.947 4.660 -0.001 0.000 0.354 861 W C -2.072 174.426 176.519 -0.035 0.000 1.297 861 W CA -1.481 55.823 57.345 -0.068 0.000 1.380 861 W CB 1.246 30.646 29.460 -0.101 0.000 1.168 861 W HN 0.122 nan 8.180 nan 0.000 0.639 862 P HA 0.016 nan 4.420 nan 0.000 0.262 862 P C 0.566 177.920 177.300 0.090 0.000 1.182 862 P CA 1.960 65.098 63.100 0.063 0.000 0.761 862 P CB 0.260 31.994 31.700 0.056 0.000 0.795 863 G N 2.021 110.855 108.800 0.057 0.000 2.363 863 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.238 863 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.238 863 G C 0.222 175.157 174.900 0.058 0.000 1.062 863 G CA -0.214 44.918 45.100 0.054 0.000 0.629 863 G HN 0.559 nan 8.290 nan 0.000 0.514 864 E N 1.131 121.382 120.200 0.085 0.000 2.436 864 E HA 0.428 4.778 4.350 -0.001 0.000 0.262 864 E C -0.158 176.476 176.600 0.057 0.000 1.063 864 E CA 0.950 57.401 56.400 0.085 0.000 0.944 864 E CB 0.487 30.269 29.700 0.137 0.000 0.950 864 E HN 0.228 nan 8.360 nan 0.000 0.444 865 T N 1.101 115.683 114.554 0.048 0.000 2.900 865 T HA 0.384 4.734 4.350 -0.001 0.000 0.295 865 T C -0.709 174.009 174.700 0.030 0.000 1.044 865 T CA -0.534 61.586 62.100 0.032 0.000 0.995 865 T CB 1.989 70.872 68.868 0.025 0.000 1.072 865 T HN 0.342 nan 8.240 nan 0.000 0.473 866 T N 1.318 115.884 114.554 0.020 0.000 2.909 866 T HA 0.616 4.965 4.350 -0.001 0.000 0.299 866 T C -1.105 173.607 174.700 0.021 0.000 1.073 866 T CA -0.369 61.742 62.100 0.019 0.000 0.999 866 T CB 1.427 70.300 68.868 0.009 0.000 1.098 866 T HN 0.521 nan 8.240 nan 0.000 0.477 867 T N 4.842 119.415 114.554 0.031 0.000 2.770 867 T HA 0.618 4.968 4.350 -0.001 0.000 0.283 867 T C -0.509 174.233 174.700 0.070 0.000 0.988 867 T CA -0.471 61.656 62.100 0.046 0.000 0.957 867 T CB 0.403 69.294 68.868 0.039 0.000 0.930 867 T HN 0.395 nan 8.240 nan 0.000 0.443 868 L N 2.383 123.674 121.223 0.113 0.000 2.334 868 L HA 0.654 4.993 4.340 -0.001 0.000 0.273 868 L C 0.280 177.294 176.870 0.239 0.000 1.013 868 L CA -0.854 54.111 54.840 0.208 0.000 0.816 868 L CB 2.031 44.255 42.059 0.274 0.000 1.278 868 L HN 0.507 nan 8.230 nan 0.000 0.431 869 T N 1.563 116.256 114.554 0.231 0.000 2.812 869 T HA 0.678 5.028 4.350 -0.001 0.000 0.282 869 T C -0.617 174.010 174.700 -0.121 0.000 0.990 869 T CA -0.461 61.672 62.100 0.056 0.000 0.960 869 T CB 1.701 70.583 68.868 0.022 0.000 0.948 869 T HN 0.651 nan 8.240 nan 0.000 0.438 870 A N 3.507 126.059 122.820 -0.447 0.000 2.331 870 A HA 0.824 5.143 4.320 -0.001 0.000 0.320 870 A C -0.481 176.900 177.584 -0.339 0.000 1.138 870 A CA -0.803 50.730 52.037 -0.840 0.000 0.790 870 A CB 1.196 19.205 19.000 -1.653 0.000 1.206 870 A HN 0.721 nan 8.150 nan 0.000 0.470 871 K N 1.583 121.844 120.400 -0.232 0.000 2.371 871 K HA 0.746 5.066 4.320 -0.001 0.000 0.251 871 K C -1.593 175.006 176.600 -0.002 0.000 0.934 871 K CA -0.557 55.629 56.287 -0.169 0.000 0.798 871 K CB 1.352 33.758 32.500 -0.156 0.000 1.204 871 K HN 0.876 nan 8.250 nan 0.000 0.427 872 Y N -1.196 119.022 120.300 -0.138 0.000 2.641 872 Y HA 0.425 4.974 4.550 -0.001 0.000 0.333 872 Y C -1.069 174.785 175.900 -0.077 0.000 1.174 872 Y CA -1.487 56.553 58.100 -0.100 0.000 1.057 872 Y CB 0.782 39.177 38.460 -0.108 0.000 1.322 872 Y HN 0.359 nan 8.280 nan 0.000 0.457 873 R N 1.228 121.765 120.500 0.062 0.000 2.449 873 R HA 0.141 4.480 4.340 -0.001 0.000 0.296 873 R C 0.518 176.845 176.300 0.044 0.000 1.047 873 R CA 0.714 56.813 56.100 -0.001 0.000 1.018 873 R CB 0.762 31.070 30.300 0.013 0.000 0.962 873 R HN 0.961 nan 8.270 nan 0.000 0.428 874 T N 2.387 116.910 114.554 -0.051 0.000 2.685 874 T HA -0.285 4.065 4.350 -0.001 0.000 0.268 874 T C 1.897 176.624 174.700 0.045 0.000 1.034 874 T CA 1.884 63.976 62.100 -0.013 0.000 1.149 874 T CB -0.084 68.750 68.868 -0.056 0.000 0.860 874 T HN 0.769 nan 8.240 nan 0.000 0.449 875 A N 1.685 124.518 122.820 0.023 0.000 2.024 875 A HA -0.144 4.175 4.320 -0.001 0.000 0.220 875 A C 1.989 179.591 177.584 0.031 0.000 1.164 875 A CA 1.532 53.581 52.037 0.020 0.000 0.643 875 A CB -0.470 18.533 19.000 0.006 0.000 0.806 875 A HN 0.345 nan 8.150 nan 0.000 0.451 876 D N -0.505 119.928 120.400 0.055 0.000 2.347 876 D HA -0.030 4.610 4.640 -0.001 0.000 0.215 876 D C 1.434 177.752 176.300 0.030 0.000 0.976 876 D CA 0.251 54.276 54.000 0.041 0.000 0.884 876 D CB -0.008 40.822 40.800 0.050 0.000 0.915 876 D HN 0.222 nan 8.370 nan 0.000 0.526 877 L N 0.764 122.026 121.223 0.064 0.000 2.275 877 L HA -0.057 4.283 4.340 -0.001 0.000 0.215 877 L C 0.937 177.813 176.870 0.010 0.000 1.119 877 L CA 1.034 55.896 54.840 0.036 0.000 0.790 877 L CB -0.706 41.401 42.059 0.081 0.000 0.919 877 L HN 0.053 nan 8.230 nan 0.000 0.443 878 K N -0.462 119.945 120.400 0.011 0.000 3.035 878 K HA -0.258 4.062 4.320 -0.001 0.000 0.262 878 K C 1.044 177.644 176.600 -0.000 0.000 1.024 878 K CA 0.316 56.603 56.287 0.001 0.000 0.748 878 K CB -1.855 30.639 32.500 -0.010 0.000 1.247 878 K HN 0.542 nan 8.250 nan 0.000 0.482 879 G N -0.866 107.938 108.800 0.006 0.000 2.195 879 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.246 879 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.246 879 G C 0.085 174.988 174.900 0.004 0.000 0.984 879 G CA 0.322 45.424 45.100 0.004 0.000 0.633 879 G HN 0.556 nan 8.290 nan 0.000 0.525 880 S N 0.544 116.246 115.700 0.004 0.000 2.601 880 S HA 0.566 5.035 4.470 -0.001 0.000 0.271 880 S C 0.775 175.381 174.600 0.011 0.000 1.305 880 S CA -0.270 57.931 58.200 0.001 0.000 1.022 880 S CB 0.514 63.708 63.200 -0.009 0.000 0.940 880 S HN 0.384 nan 8.310 nan 0.000 0.525 881 K N 3.555 123.961 120.400 0.009 0.000 2.295 881 K HA 0.295 4.614 4.320 -0.001 0.000 0.270 881 K C -2.374 174.236 176.600 0.018 0.000 1.011 881 K CA -1.514 54.783 56.287 0.017 0.000 0.953 881 K CB 0.062 32.569 32.500 0.011 0.000 0.956 881 K HN 0.518 nan 8.250 nan 0.000 0.477 882 P HA 0.130 nan 4.420 nan 0.000 0.279 882 P C -0.833 176.477 177.300 0.016 0.000 1.239 882 P CA -0.301 62.815 63.100 0.027 0.000 0.789 882 P CB 1.291 33.049 31.700 0.097 0.000 0.933 883 S N 0.699 116.398 115.700 -0.002 0.000 2.677 883 S HA 0.600 5.070 4.470 -0.001 0.000 0.304 883 S C -0.610 174.001 174.600 0.018 0.000 1.108 883 S CA -0.672 57.533 58.200 0.008 0.000 0.944 883 S CB 1.501 64.701 63.200 -0.001 0.000 1.127 883 S HN 0.217 nan 8.310 nan 0.000 0.511 884 V N 1.867 121.802 119.914 0.036 0.000 2.444 884 V HA 0.483 4.602 4.120 -0.001 0.000 0.294 884 V C -0.143 175.970 176.094 0.032 0.000 1.022 884 V CA -0.689 61.651 62.300 0.065 0.000 0.850 884 V CB 1.461 33.353 31.823 0.116 0.000 0.992 884 V HN 0.728 nan 8.190 nan 0.000 0.426 885 R N 4.764 125.278 120.500 0.023 0.000 2.221 885 R HA 0.654 4.993 4.340 -0.001 0.000 0.327 885 R C -1.187 175.094 176.300 -0.031 0.000 1.033 885 R CA -0.357 55.739 56.100 -0.008 0.000 0.887 885 R CB 0.676 30.969 30.300 -0.011 0.000 1.057 885 R HN 0.695 nan 8.270 nan 0.000 0.455 886 I N 3.489 124.031 120.570 -0.048 0.000 2.410 886 I HA 0.247 4.417 4.170 -0.001 0.000 0.286 886 I C -0.734 175.334 176.117 -0.082 0.000 1.009 886 I CA -0.291 60.961 61.300 -0.081 0.000 1.111 886 I CB 2.102 40.058 38.000 -0.074 0.000 1.262 886 I HN 0.582 nan 8.210 nan 0.000 0.443 887 S N 3.566 119.206 115.700 -0.099 0.000 2.526 887 S HA 0.891 5.360 4.470 -0.001 0.000 0.293 887 S C -0.187 174.355 174.600 -0.097 0.000 1.092 887 S CA -0.848 57.300 58.200 -0.086 0.000 0.980 887 S CB 2.189 65.349 63.200 -0.067 0.000 1.048 887 S HN 0.771 nan 8.310 nan 0.000 0.483 888 G N 0.182 108.939 108.800 -0.072 0.000 2.619 888 G HA2 0.458 4.418 3.960 -0.001 0.000 0.296 888 G HA3 0.458 4.418 3.960 -0.001 0.000 0.296 888 G C 0.078 174.995 174.900 0.028 0.000 1.334 888 G CA -0.879 44.197 45.100 -0.040 0.000 0.934 888 G HN 0.746 nan 8.290 nan 0.000 0.476 889 W N 1.765 123.022 121.300 -0.071 0.000 2.304 889 W HA -0.163 4.497 4.660 -0.001 0.000 0.315 889 W C 0.877 177.392 176.519 -0.007 0.000 1.233 889 W CA 2.104 59.435 57.345 -0.023 0.000 1.261 889 W CB 0.250 29.753 29.460 0.071 0.000 1.150 889 W HN 0.642 nan 8.180 nan 0.000 0.494 890 N N -0.670 118.130 118.700 0.166 0.000 2.351 890 N HA -0.002 4.738 4.740 -0.001 0.000 0.254 890 N C 0.314 175.817 175.510 -0.011 0.000 1.241 890 N CA 0.879 53.961 53.050 0.054 0.000 0.883 890 N CB -0.402 38.196 38.487 0.184 0.000 1.202 890 N HN 0.078 nan 8.380 nan 0.000 0.512 891 T N -4.848 109.684 114.554 -0.038 0.000 3.087 891 T HA 0.458 4.807 4.350 -0.001 0.000 0.283 891 T C 0.866 175.526 174.700 -0.068 0.000 0.956 891 T CA 0.287 62.356 62.100 -0.051 0.000 0.894 891 T CB 0.371 69.209 68.868 -0.051 0.000 1.160 891 T HN 0.414 nan 8.240 nan 0.000 0.532 892 G N 1.296 110.044 108.800 -0.088 0.000 2.697 892 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.240 892 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.240 892 G C -0.493 174.359 174.900 -0.079 0.000 1.346 892 G CA -0.265 44.780 45.100 -0.092 0.000 0.887 892 G HN 0.772 nan 8.290 nan 0.000 0.569 893 T N 1.439 115.950 114.554 -0.072 0.000 2.824 893 T HA 0.647 4.997 4.350 -0.001 0.000 0.282 893 T C 0.045 174.714 174.700 -0.051 0.000 0.993 893 T CA 0.154 62.217 62.100 -0.063 0.000 0.967 893 T CB 1.607 70.439 68.868 -0.061 0.000 0.960 893 T HN 0.944 nan 8.240 nan 0.000 0.441 894 Q N 0.821 120.593 119.800 -0.046 0.000 2.421 894 Q HA 0.719 5.059 4.340 -0.001 0.000 0.280 894 Q C -1.354 174.629 176.000 -0.029 0.000 1.085 894 Q CA -1.007 54.774 55.803 -0.036 0.000 0.807 894 Q CB 2.248 30.966 28.738 -0.034 0.000 1.405 894 Q HN 0.621 nan 8.270 nan 0.000 0.419 895 T N -0.832 113.709 114.554 -0.022 0.000 2.812 895 T HA 0.612 4.962 4.350 -0.001 0.000 0.282 895 T C -0.202 174.493 174.700 -0.008 0.000 0.990 895 T CA -0.397 61.695 62.100 -0.014 0.000 0.960 895 T CB 1.168 70.028 68.868 -0.014 0.000 0.948 895 T HN 0.735 nan 8.240 nan 0.000 0.438 896 V N 1.789 121.703 119.914 0.000 0.000 2.581 896 V HA 0.834 4.954 4.120 -0.001 0.000 0.303 896 V C -2.563 173.537 176.094 0.010 0.000 1.041 896 V CA -2.831 59.471 62.300 0.004 0.000 0.907 896 V CB 1.234 33.061 31.823 0.008 0.000 0.994 896 V HN 0.824 nan 8.190 nan 0.000 0.442 897 P HA 0.353 nan 4.420 nan 0.000 0.272 897 P C -0.017 177.294 177.300 0.019 0.000 1.230 897 P CA 0.042 63.149 63.100 0.011 0.000 0.788 897 P CB 1.671 33.375 31.700 0.006 0.000 0.949 898 A N -0.934 121.900 122.820 0.024 0.000 2.671 898 A HA 0.570 4.889 4.320 -0.001 0.000 0.265 898 A C 0.403 178.004 177.584 0.029 0.000 1.148 898 A CA 0.921 52.978 52.037 0.032 0.000 0.977 898 A CB -0.242 18.788 19.000 0.049 0.000 1.242 898 A HN 0.728 nan 8.150 nan 0.000 0.591 899 D N 0.000 120.413 120.400 0.022 0.000 6.856 899 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 899 D CA 0.000 nan 54.000 nan 0.000 0.868 899 D CB 0.000 nan 40.800 nan 0.000 0.688 899 D HN 0.000 nan 8.370 nan 0.000 0.683