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 3a0f_1_A DATA FIRST_RESID 3 DATA SEQUENCE AELKPVTISG GGFISGLVAH PTEKDLIYAR TDIGGTYRWN AAKWEWEPIT DATA SEQUENCE DFIINNALAG NGANLLGTES IALDPHNPDR LYLAQGDYVQ WDPWAAFLVS DATA SEQUENCE DDRGKTFKQY RSPVPMGAND MGRNGGERLA VNPHWTDELW FGSRTQGLWR DATA SEQUENCE STDRAQTWSR MNQLPDSSTY GIGIISVIFD PKNVGTAYVA SHAVGGLWVT DATA SEQUENCE WDGGANWSQV GGQPTQWSDW TKSIVAASGT AIQSSGPLPI KIALGKNGRL DATA SEQUENCE YITYSDAPGP WGVLYGEVWS YDPTNGNWKH ITPSREGANT YPAPTGNKKV DATA SEQUENCE VPGGWNGISV GNGDTVVVST LDANGEDSVY LSRDAGNSWK DLGKLTTPAG DATA SEQUENCE AGGNSQKESD AKLRNGTPLP WLSFQNRGSG IVGFGWWLAA ILLDPFSDRL DATA SEQUENCE LYGTGAVIWA TDAVSRADSN QAPSWYINTE GIEETAILVL KSPPAGPAHL DATA SEQUENCE FSGMYDLGGM RHDDFSVPQP MYSKPTFSST DGLDFAGRAA NVLARVGRND DATA SEQUENCE HPDAGVAGcT QGAYTTNSGD SWTLFQTcVP SLEVGNGGTI AVGADGKTFV DATA SEQUENCE WSPSKADGKG PYTSSDYGKT WTAPSGLSKQ TTGIAADRVQ ANTFYVYVEG DATA SEQUENCE DFFVSTDGGK SYTKKGNGLP CCWTYTGTPV TSNLRAGELW VSVKGVGIYH DATA SEQUENCE STDFGNTFTA LAGSGSSLNP AVFSIGAPQT PNATETLFLW GIPSASQPEG DATA SEQUENCE LYMSTDNGGL WTRLNDDAHN YGGATVISGD PRIYGRVYIG MNGRGIICAQ DATA SEQUENCE ALG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.549 177.584 -0.058 0.000 1.274 3 A CA 0.000 52.006 52.037 -0.051 0.000 0.836 3 A CB 0.000 18.969 19.000 -0.051 0.000 0.831 4 E N 2.464 122.637 120.200 -0.046 0.000 2.194 4 E HA 0.560 4.910 4.350 0.000 0.000 0.284 4 E C -1.214 175.369 176.600 -0.029 0.000 1.035 4 E CA -0.359 56.020 56.400 -0.034 0.000 0.836 4 E CB 0.533 30.221 29.700 -0.019 0.000 1.070 4 E HN 0.562 nan 8.360 nan 0.000 0.401 5 L N 6.177 127.390 121.223 -0.016 0.000 2.319 5 L HA 0.467 4.807 4.340 0.000 0.000 0.281 5 L C -0.324 176.579 176.870 0.054 0.000 1.005 5 L CA -0.727 54.128 54.840 0.025 0.000 0.828 5 L CB 1.171 43.281 42.059 0.085 0.000 1.227 5 L HN 0.577 nan 8.230 nan 0.000 0.415 6 K N 3.052 123.466 120.400 0.024 0.000 2.508 6 K HA 0.726 5.046 4.320 0.000 0.000 0.260 6 K C -3.074 173.510 176.600 -0.026 0.000 0.949 6 K CA -2.040 54.264 56.287 0.030 0.000 0.834 6 K CB 2.375 34.904 32.500 0.048 0.000 1.365 6 K HN 0.039 nan 8.250 nan 0.000 0.437 7 P HA 0.027 nan 4.420 nan 0.000 0.272 7 P C -0.730 176.495 177.300 -0.125 0.000 1.223 7 P CA -0.596 62.456 63.100 -0.080 0.000 0.784 7 P CB 0.640 32.329 31.700 -0.019 0.000 0.923 8 V N 3.071 122.830 119.914 -0.258 0.000 2.334 8 V HA 0.122 4.242 4.120 0.000 0.000 0.267 8 V C 0.347 176.311 176.094 -0.218 0.000 1.040 8 V CA -0.119 61.942 62.300 -0.397 0.000 0.866 8 V CB 0.358 31.691 31.823 -0.818 0.000 1.019 8 V HN 0.542 nan 8.190 nan 0.000 0.468 9 T N 6.925 121.455 114.554 -0.041 0.000 2.888 9 T HA 0.332 4.682 4.350 0.000 0.000 0.301 9 T C 0.982 175.725 174.700 0.072 0.000 1.001 9 T CA 0.443 62.563 62.100 0.034 0.000 1.147 9 T CB 0.946 69.867 68.868 0.088 0.000 0.931 9 T HN 0.470 nan 8.240 nan 0.000 0.541 10 I N 1.160 121.766 120.570 0.059 0.000 3.873 10 I HA 0.201 4.371 4.170 0.000 0.000 0.284 10 I C 0.671 176.950 176.117 0.270 0.000 1.186 10 I CA -0.079 61.277 61.300 0.094 0.000 1.362 10 I CB 0.477 38.404 38.000 -0.122 0.000 1.432 10 I HN 0.691 nan 8.210 nan 0.000 0.454 11 S N 0.794 116.583 115.700 0.148 0.000 3.601 11 S HA 0.062 4.532 4.470 0.000 0.000 0.730 11 S C 0.243 174.951 174.600 0.180 0.000 0.515 11 S CA 0.445 58.735 58.200 0.150 0.000 1.463 11 S CB -1.203 62.087 63.200 0.151 0.000 0.924 11 S HN 1.272 nan 8.310 nan 0.000 1.050 12 G N 4.121 112.944 108.800 0.038 0.000 2.536 12 G HA2 0.210 4.171 3.960 0.000 0.000 0.277 12 G HA3 0.210 4.171 3.960 0.000 0.000 0.277 12 G C 1.006 175.911 174.900 0.008 0.000 1.155 12 G CA 1.273 46.373 45.100 0.001 0.000 0.960 12 G HN 2.562 nan 8.290 nan 0.000 0.544 13 G N -1.173 107.673 108.800 0.076 0.000 2.157 13 G HA2 0.439 4.400 3.960 0.000 0.000 0.239 13 G HA3 0.439 4.400 3.960 0.000 0.000 0.239 13 G C 1.474 176.352 174.900 -0.038 0.000 0.982 13 G CA 0.985 45.990 45.100 -0.157 0.000 0.650 13 G HN 2.620 nan 8.290 nan 0.000 0.527 14 G N -1.464 107.357 108.800 0.035 0.000 2.749 14 G HA2 0.610 4.570 3.960 0.000 0.000 0.300 14 G HA3 0.610 4.570 3.960 0.000 0.000 0.300 14 G C -0.795 174.207 174.900 0.170 0.000 1.352 14 G CA -0.578 44.582 45.100 0.100 0.000 0.789 14 G HN 0.769 nan 8.290 nan 0.000 0.509 15 F N 1.473 121.456 119.950 0.055 0.000 2.472 15 F HA 0.394 4.921 4.527 0.000 0.000 0.364 15 F C 0.213 176.037 175.800 0.041 0.000 1.090 15 F CA -1.034 57.026 58.000 0.100 0.000 1.188 15 F CB 0.475 39.646 39.000 0.285 0.000 1.105 15 F HN -0.025 nan 8.300 nan 0.000 0.536 16 I N 6.782 127.214 120.570 -0.230 0.000 2.308 16 I HA 0.013 4.183 4.170 0.000 0.000 0.293 16 I C 1.039 176.643 176.117 -0.855 0.000 1.078 16 I CA 0.101 61.142 61.300 -0.432 0.000 1.292 16 I CB 0.685 38.519 38.000 -0.278 0.000 1.423 16 I HN 0.676 nan 8.210 nan 0.000 0.493 17 S N 3.636 118.865 115.700 -0.785 0.000 2.517 17 S HA 0.375 4.845 4.470 0.000 0.000 0.214 17 S C 0.800 175.214 174.600 -0.310 0.000 0.991 17 S CA -0.015 57.717 58.200 -0.781 0.000 0.906 17 S CB 0.691 63.564 63.200 -0.544 0.000 0.789 17 S HN 0.744 nan 8.310 nan 0.000 0.513 18 G N 0.421 109.102 108.800 -0.198 0.000 2.601 18 G HA2 0.564 4.525 3.960 0.000 0.000 0.291 18 G HA3 0.564 4.525 3.960 0.000 0.000 0.291 18 G C -2.433 172.460 174.900 -0.012 0.000 1.456 18 G CA -0.601 44.464 45.100 -0.058 0.000 0.804 18 G HN 0.117 nan 8.290 nan 0.000 0.499 19 L N 0.540 121.799 121.223 0.060 0.000 2.516 19 L HA 0.648 4.989 4.340 0.000 0.000 0.267 19 L C -0.644 176.329 176.870 0.171 0.000 0.957 19 L CA -0.986 53.924 54.840 0.117 0.000 0.860 19 L CB 1.615 43.730 42.059 0.094 0.000 1.265 19 L HN 0.457 nan 8.230 nan 0.000 0.403 20 V N 2.548 122.609 119.914 0.244 0.000 2.577 20 V HA 0.904 5.024 4.120 0.000 0.000 0.303 20 V C 0.031 176.308 176.094 0.305 0.000 1.042 20 V CA -0.763 61.688 62.300 0.251 0.000 0.872 20 V CB 1.769 33.741 31.823 0.249 0.000 0.998 20 V HN 0.839 nan 8.190 nan 0.000 0.423 21 A N 2.822 125.792 122.820 0.249 0.000 2.325 21 A HA 0.655 4.975 4.320 0.000 0.000 0.333 21 A C -0.309 177.442 177.584 0.279 0.000 1.155 21 A CA -0.566 51.635 52.037 0.272 0.000 0.814 21 A CB 0.691 19.830 19.000 0.232 0.000 1.206 21 A HN 0.914 nan 8.150 nan 0.000 0.482 22 H N 3.015 122.243 119.070 0.263 0.000 2.848 22 H HA 0.126 4.682 4.556 0.000 0.000 0.341 22 H C -1.500 173.997 175.328 0.281 0.000 1.060 22 H CA -0.818 55.377 56.048 0.245 0.000 1.444 22 H CB 1.417 31.306 29.762 0.212 0.000 1.446 22 H HN 0.409 nan 8.280 nan 0.000 0.583 23 P HA -0.054 nan 4.420 nan 0.000 0.237 23 P C 0.930 178.500 177.300 0.449 0.000 1.178 23 P CA 0.923 64.116 63.100 0.156 0.000 0.766 23 P CB 0.359 32.051 31.700 -0.013 0.000 0.876 24 T N -4.582 110.420 114.554 0.747 0.000 2.954 24 T HA 0.149 4.499 4.350 0.000 0.000 0.252 24 T C 0.458 175.314 174.700 0.260 0.000 0.983 24 T CA -0.095 62.366 62.100 0.601 0.000 0.941 24 T CB -0.172 68.933 68.868 0.395 0.000 1.141 24 T HN -0.046 nan 8.240 nan 0.000 0.500 25 E N 2.340 122.603 120.200 0.105 0.000 2.055 25 E HA 0.361 4.711 4.350 0.000 0.000 0.274 25 E C -0.221 176.107 176.600 -0.454 0.000 0.949 25 E CA -0.602 55.626 56.400 -0.286 0.000 0.775 25 E CB 0.875 30.387 29.700 -0.313 0.000 1.097 25 E HN 0.339 nan 8.360 nan 0.000 0.404 26 K N 4.032 123.859 120.400 -0.955 0.000 2.530 26 K HA -0.122 4.199 4.320 0.000 0.000 0.280 26 K C -0.518 175.964 176.600 -0.196 0.000 1.004 26 K CA 0.851 56.707 56.287 -0.718 0.000 1.071 26 K CB 0.250 32.412 32.500 -0.563 0.000 0.876 26 K HN 0.686 nan 8.250 nan 0.000 0.487 27 D N 1.123 121.533 120.400 0.017 0.000 2.911 27 D HA -0.199 4.441 4.640 0.000 0.000 0.199 27 D C -0.499 175.854 176.300 0.088 0.000 1.041 27 D CA 0.824 54.889 54.000 0.108 0.000 1.013 27 D CB -0.892 39.932 40.800 0.040 0.000 1.093 27 D HN 0.388 nan 8.370 nan 0.000 0.431 28 L N 1.772 123.035 121.223 0.066 0.000 2.358 28 L HA 0.427 4.767 4.340 0.000 0.000 0.274 28 L C -0.322 176.609 176.870 0.102 0.000 1.136 28 L CA 0.037 54.901 54.840 0.039 0.000 0.970 28 L CB -0.054 42.044 42.059 0.065 0.000 1.314 28 L HN 0.014 nan 8.230 nan 0.000 0.427 29 I N 3.816 124.377 120.570 -0.014 0.000 2.545 29 I HA 0.365 4.535 4.170 0.000 0.000 0.292 29 I C -1.106 175.028 176.117 0.029 0.000 1.040 29 I CA -0.768 60.593 61.300 0.103 0.000 1.068 29 I CB 1.759 39.813 38.000 0.089 0.000 1.251 29 I HN 0.293 nan 8.210 nan 0.000 0.424 30 Y N 3.359 123.905 120.300 0.410 0.000 2.499 30 Y HA 0.734 5.284 4.550 0.001 0.000 0.347 30 Y C 0.127 176.250 175.900 0.372 0.000 0.987 30 Y CA -0.924 57.454 58.100 0.463 0.000 1.044 30 Y CB 2.169 40.817 38.460 0.314 0.000 1.245 30 Y HN 0.568 nan 8.280 nan 0.000 0.461 31 A N 3.302 126.369 122.820 0.412 0.000 2.318 31 A HA 0.790 5.110 4.320 0.000 0.000 0.324 31 A C -0.698 176.947 177.584 0.102 0.000 1.170 31 A CA -1.003 51.044 52.037 0.017 0.000 0.810 31 A CB 0.689 19.344 19.000 -0.575 0.000 1.198 31 A HN 0.841 nan 8.150 nan 0.000 0.484 32 R N 0.877 121.392 120.500 0.026 0.000 2.474 32 R HA 0.743 5.084 4.340 0.000 0.000 0.295 32 R C -0.361 175.894 176.300 -0.075 0.000 0.980 32 R CA -0.199 55.904 56.100 0.005 0.000 0.934 32 R CB 1.173 31.472 30.300 -0.001 0.000 1.101 32 R HN 0.632 nan 8.270 nan 0.000 0.469 33 T N -2.037 112.489 114.554 -0.047 0.000 2.942 33 T HA 0.191 4.541 4.350 0.000 0.000 0.289 33 T C 0.396 175.058 174.700 -0.064 0.000 1.044 33 T CA -0.663 61.394 62.100 -0.071 0.000 1.023 33 T CB 1.671 70.551 68.868 0.020 0.000 1.123 33 T HN 0.667 nan 8.240 nan 0.000 0.512 34 D N 0.671 121.057 120.400 -0.024 0.000 2.194 34 D HA -0.042 4.599 4.640 0.000 0.000 0.204 34 D C 1.637 177.913 176.300 -0.041 0.000 0.964 34 D CA 0.988 54.991 54.000 0.005 0.000 0.846 34 D CB -0.352 40.542 40.800 0.157 0.000 0.962 34 D HN 0.758 nan 8.370 nan 0.000 0.490 35 I N -4.417 116.143 120.570 -0.017 0.000 4.240 35 I HA 0.515 4.685 4.170 0.000 0.000 0.331 35 I C 1.229 177.312 176.117 -0.056 0.000 1.381 35 I CA -0.134 61.134 61.300 -0.053 0.000 1.136 35 I CB 0.900 38.893 38.000 -0.012 0.000 1.137 35 I HN -0.013 nan 8.210 nan 0.000 0.411 36 G N 1.126 109.906 108.800 -0.032 0.000 3.863 36 G HA2 0.566 4.526 3.960 0.000 0.000 0.290 36 G HA3 0.566 4.526 3.960 0.000 0.000 0.290 36 G C 0.696 175.557 174.900 -0.065 0.000 1.018 36 G CA 0.110 45.200 45.100 -0.016 0.000 0.824 36 G HN 0.717 nan 8.290 nan 0.000 0.507 37 G N 0.011 108.744 108.800 -0.110 0.000 2.698 37 G HA2 0.146 4.107 3.960 0.000 0.000 0.233 37 G HA3 0.146 4.107 3.960 0.000 0.000 0.233 37 G C 0.163 174.988 174.900 -0.126 0.000 1.352 37 G CA 0.270 45.275 45.100 -0.158 0.000 0.879 37 G HN 1.432 nan 8.290 nan 0.000 0.567 38 T N -1.812 112.665 114.554 -0.130 0.000 2.940 38 T HA 0.739 5.089 4.350 0.000 0.000 0.288 38 T C -0.772 173.894 174.700 -0.056 0.000 1.033 38 T CA -0.500 61.601 62.100 0.003 0.000 1.033 38 T CB 1.743 70.680 68.868 0.116 0.000 1.079 38 T HN 0.925 nan 8.240 nan 0.000 0.496 39 Y N 0.593 121.034 120.300 0.235 0.000 2.446 39 Y HA 0.584 5.135 4.550 0.000 0.000 0.345 39 Y C 0.554 176.787 175.900 0.555 0.000 0.984 39 Y CA -1.097 57.214 58.100 0.352 0.000 1.058 39 Y CB 1.929 40.560 38.460 0.284 0.000 1.220 39 Y HN 0.659 nan 8.280 nan 0.000 0.455 40 R N 3.595 124.450 120.500 0.591 0.000 2.294 40 R HA 0.162 4.502 4.340 0.000 0.000 0.319 40 R C -0.849 175.585 176.300 0.225 0.000 0.984 40 R CA -0.571 55.679 56.100 0.249 0.000 0.861 40 R CB 0.779 31.131 30.300 0.087 0.000 1.104 40 R HN 0.920 nan 8.270 nan 0.000 0.451 41 W N 6.160 127.286 121.300 -0.290 0.000 2.251 41 W HA 0.033 4.693 4.660 0.000 0.000 0.327 41 W C -0.868 175.376 176.519 -0.458 0.000 1.361 41 W CA -0.181 56.703 57.345 -0.768 0.000 1.234 41 W CB 0.723 29.549 29.460 -1.057 0.000 1.212 41 W HN 0.490 nan 8.180 nan 0.000 0.557 42 N N 4.725 122.674 118.700 -1.251 0.000 2.511 42 N HA 0.278 5.019 4.740 0.000 0.000 0.249 42 N C 0.587 175.155 175.510 -1.569 0.000 0.971 42 N CA 0.264 52.677 53.050 -1.062 0.000 0.938 42 N CB 1.624 39.766 38.487 -0.575 0.000 1.131 42 N HN 0.530 nan 8.380 nan 0.000 0.505 43 A N 3.378 125.511 122.820 -1.146 0.000 1.969 43 A HA 0.007 4.327 4.320 0.000 0.000 0.218 43 A C 1.954 179.406 177.584 -0.221 0.000 1.169 43 A CA 1.725 53.391 52.037 -0.618 0.000 0.635 43 A CB -0.375 18.551 19.000 -0.124 0.000 0.810 43 A HN 0.674 nan 8.150 nan 0.000 0.445 44 A N 0.021 122.696 122.820 -0.241 0.000 1.854 44 A HA -0.073 4.247 4.320 0.000 0.000 0.214 44 A C 2.023 179.555 177.584 -0.087 0.000 1.192 44 A CA 1.624 53.594 52.037 -0.113 0.000 0.611 44 A CB -0.362 18.569 19.000 -0.115 0.000 0.832 44 A HN 0.460 nan 8.150 nan 0.000 0.442 45 K N -2.228 118.071 120.400 -0.167 0.000 2.486 45 K HA -0.042 4.278 4.320 0.000 0.000 0.194 45 K C -0.057 176.520 176.600 -0.039 0.000 1.033 45 K CA 0.091 56.317 56.287 -0.102 0.000 1.004 45 K CB 0.002 32.429 32.500 -0.122 0.000 0.798 45 K HN 0.608 nan 8.250 nan 0.000 0.495 46 W N 2.161 123.185 121.300 -0.460 0.000 6.199 46 W HA -0.282 4.379 4.660 0.001 0.000 0.416 46 W C -1.074 175.251 176.519 -0.324 0.000 1.636 46 W CA 0.931 58.020 57.345 -0.426 0.000 1.040 46 W CB -1.188 28.229 29.460 -0.072 0.000 2.854 46 W HN 0.264 nan 8.180 nan 0.000 1.467 47 E N 1.248 120.998 120.200 -0.751 0.000 2.347 47 E HA 0.219 4.569 4.350 0.000 0.000 0.285 47 E C -0.944 175.504 176.600 -0.253 0.000 0.925 47 E CA -0.760 55.492 56.400 -0.247 0.000 0.779 47 E CB 0.772 30.421 29.700 -0.084 0.000 1.233 47 E HN 0.137 nan 8.360 nan 0.000 0.414 48 W N 2.623 123.999 121.300 0.127 0.000 2.266 48 W HA 0.252 4.912 4.660 0.000 0.000 0.317 48 W C 0.209 176.866 176.519 0.230 0.000 1.310 48 W CA -0.169 57.299 57.345 0.204 0.000 1.207 48 W CB 0.822 30.320 29.460 0.064 0.000 1.199 48 W HN 0.320 nan 8.180 nan 0.000 0.544 49 E N 5.286 125.786 120.200 0.500 0.000 2.129 49 E HA 0.202 4.552 4.350 0.000 0.000 0.268 49 E C -2.178 174.658 176.600 0.394 0.000 0.900 49 E CA -2.142 54.478 56.400 0.367 0.000 0.755 49 E CB 1.235 31.033 29.700 0.162 0.000 1.117 49 E HN -0.019 nan 8.360 nan 0.000 0.410 50 P HA -0.006 nan 4.420 nan 0.000 0.266 50 P C 0.287 177.573 177.300 -0.024 0.000 1.215 50 P CA 0.382 63.386 63.100 -0.160 0.000 0.763 50 P CB 0.268 31.918 31.700 -0.083 0.000 0.806 51 I N 1.069 121.642 120.570 0.005 0.000 4.018 51 I HA 0.134 4.304 4.170 0.000 0.000 0.337 51 I C 0.667 176.943 176.117 0.265 0.000 1.327 51 I CA 0.054 61.462 61.300 0.179 0.000 1.100 51 I CB -0.263 37.925 38.000 0.314 0.000 1.025 51 I HN 0.112 nan 8.210 nan 0.000 0.396 52 T N -4.202 110.389 114.554 0.062 0.000 3.132 52 T HA 0.240 4.590 4.350 0.000 0.000 0.274 52 T C 0.713 175.294 174.700 -0.199 0.000 1.011 52 T CA -0.267 61.827 62.100 -0.010 0.000 0.899 52 T CB -0.191 68.569 68.868 -0.180 0.000 1.089 52 T HN 0.047 nan 8.240 nan 0.000 0.543 53 D N 1.803 122.124 120.400 -0.132 0.000 2.384 53 D HA -0.005 4.636 4.640 0.000 0.000 0.222 53 D C 1.363 177.499 176.300 -0.274 0.000 0.976 53 D CA 0.411 54.253 54.000 -0.264 0.000 0.915 53 D CB -0.371 40.202 40.800 -0.379 0.000 0.896 53 D HN 0.712 nan 8.370 nan 0.000 0.523 54 F N -0.119 119.734 119.950 -0.163 0.000 2.502 54 F HA 0.125 4.652 4.527 0.000 0.000 0.298 54 F C 0.776 176.547 175.800 -0.047 0.000 1.111 54 F CA -0.212 57.730 58.000 -0.096 0.000 1.445 54 F CB -0.590 38.391 39.000 -0.031 0.000 1.081 54 F HN -0.247 nan 8.300 nan 0.000 0.558 55 I N 2.448 122.429 120.570 -0.982 0.000 2.556 55 I HA 0.035 4.205 4.170 0.000 0.000 0.284 55 I C -0.024 175.930 176.117 -0.271 0.000 1.114 55 I CA 0.111 60.963 61.300 -0.747 0.000 1.418 55 I CB 0.617 38.171 38.000 -0.743 0.000 1.394 55 I HN 0.032 nan 8.210 nan 0.000 0.552 56 I N 6.874 127.378 120.570 -0.111 0.000 2.321 56 I HA 0.193 4.363 4.170 0.000 0.000 0.291 56 I C -0.022 176.070 176.117 -0.042 0.000 0.998 56 I CA -0.653 60.651 61.300 0.005 0.000 1.227 56 I CB 0.662 38.757 38.000 0.158 0.000 1.368 56 I HN 0.522 nan 8.210 nan 0.000 0.466 57 N N 6.561 125.223 118.700 -0.064 0.000 2.513 57 N HA 0.064 4.805 4.740 0.000 0.000 0.268 57 N C 0.022 175.521 175.510 -0.019 0.000 1.180 57 N CA 0.160 53.163 53.050 -0.077 0.000 0.948 57 N CB 0.304 38.743 38.487 -0.081 0.000 1.083 57 N HN 0.508 nan 8.380 nan 0.000 0.455 58 N N -0.699 117.979 118.700 -0.036 0.000 2.688 58 N HA -0.205 4.535 4.740 0.000 0.000 0.258 58 N C -0.558 174.993 175.510 0.069 0.000 1.016 58 N CA 0.597 53.653 53.050 0.010 0.000 0.747 58 N CB -1.236 37.261 38.487 0.016 0.000 0.895 58 N HN 0.698 nan 8.380 nan 0.000 0.543 59 A N 0.348 123.220 122.820 0.087 0.000 2.584 59 A HA 0.049 4.369 4.320 0.000 0.000 0.239 59 A C 1.737 179.389 177.584 0.114 0.000 1.043 59 A CA 0.126 52.237 52.037 0.124 0.000 0.756 59 A CB 0.197 19.279 19.000 0.136 0.000 0.963 59 A HN 0.474 nan 8.150 nan 0.000 0.511 60 L N 1.828 123.122 121.223 0.118 0.000 2.093 60 L HA -0.089 4.252 4.340 0.000 0.000 0.208 60 L C 2.024 178.930 176.870 0.058 0.000 1.085 60 L CA 0.898 55.789 54.840 0.085 0.000 0.755 60 L CB -0.844 41.258 42.059 0.070 0.000 0.904 60 L HN 0.853 nan 8.230 nan 0.000 0.435 61 A N 0.214 123.067 122.820 0.055 0.000 2.455 61 A HA 0.369 4.690 4.320 0.000 0.000 0.244 61 A C 1.404 179.027 177.584 0.064 0.000 1.099 61 A CA 0.285 52.350 52.037 0.047 0.000 0.786 61 A CB -0.622 18.407 19.000 0.048 0.000 1.051 61 A HN 0.383 nan 8.150 nan 0.000 0.508 62 G N 0.527 109.361 108.800 0.056 0.000 2.580 62 G HA2 -0.321 3.639 3.960 0.000 0.000 0.895 62 G HA3 -0.321 3.639 3.960 0.000 0.000 0.895 62 G C 0.250 175.211 174.900 0.101 0.000 1.279 62 G CA 0.942 46.084 45.100 0.070 0.000 0.881 62 G HN 1.852 nan 8.290 nan 0.000 0.618 63 N N -0.055 118.732 118.700 0.145 0.000 2.549 63 N HA 0.526 5.266 4.740 0.000 0.000 0.281 63 N C -0.087 175.638 175.510 0.357 0.000 1.084 63 N CA -0.258 52.910 53.050 0.196 0.000 0.862 63 N CB 1.804 40.393 38.487 0.169 0.000 1.333 63 N HN 0.856 nan 8.380 nan 0.000 0.523 64 G N 0.871 109.811 108.800 0.235 0.000 3.075 64 G HA2 0.864 4.824 3.960 0.000 0.000 0.253 64 G HA3 0.864 4.824 3.960 0.000 0.000 0.253 64 G C -1.191 173.606 174.900 -0.172 0.000 1.353 64 G CA -0.681 44.517 45.100 0.163 0.000 1.051 64 G HN 0.765 nan 8.290 nan 0.000 0.553 65 A N -1.182 121.373 122.820 -0.441 0.000 2.533 65 A HA 0.685 5.006 4.320 0.000 0.000 0.293 65 A C -0.951 176.441 177.584 -0.319 0.000 1.228 65 A CA -0.812 50.935 52.037 -0.483 0.000 0.689 65 A CB 0.895 19.343 19.000 -0.920 0.000 1.303 65 A HN 0.448 nan 8.150 nan 0.000 0.444 66 N N 1.027 119.597 118.700 -0.216 0.000 2.448 66 N HA 0.254 4.995 4.740 0.000 0.000 0.250 66 N C -0.237 175.106 175.510 -0.277 0.000 1.136 66 N CA -0.078 52.873 53.050 -0.165 0.000 0.953 66 N CB 1.241 39.721 38.487 -0.013 0.000 1.251 66 N HN 0.409 nan 8.380 nan 0.000 0.502 67 L N 2.242 123.286 121.223 -0.298 0.000 2.556 67 L HA 0.220 4.560 4.340 0.000 0.000 0.226 67 L C 1.985 178.686 176.870 -0.282 0.000 1.089 67 L CA 0.446 55.093 54.840 -0.322 0.000 0.864 67 L CB -0.422 41.440 42.059 -0.329 0.000 1.067 67 L HN 0.523 nan 8.230 nan 0.000 0.477 68 L N -0.242 120.830 121.223 -0.253 0.000 2.012 68 L HA -0.062 4.278 4.340 0.000 0.000 0.210 68 L C 1.024 177.769 176.870 -0.207 0.000 1.073 68 L CA 0.952 55.651 54.840 -0.236 0.000 0.748 68 L CB -0.655 41.292 42.059 -0.187 0.000 0.891 68 L HN 0.426 nan 8.230 nan 0.000 0.431 69 G N 0.184 108.863 108.800 -0.202 0.000 2.265 69 G HA2 0.044 4.004 3.960 0.000 0.000 0.240 69 G HA3 0.044 4.004 3.960 0.000 0.000 0.240 69 G C -0.341 174.454 174.900 -0.174 0.000 1.270 69 G CA -0.143 44.849 45.100 -0.182 0.000 0.901 69 G HN 0.214 nan 8.290 nan 0.000 0.507 70 T N 2.482 116.959 114.554 -0.128 0.000 2.753 70 T HA 0.192 4.543 4.350 0.000 0.000 0.297 70 T C 1.228 175.885 174.700 -0.072 0.000 0.981 70 T CA -0.222 61.817 62.100 -0.102 0.000 0.956 70 T CB 1.648 70.477 68.868 -0.065 0.000 0.936 70 T HN 0.763 nan 8.240 nan 0.000 0.463 71 E N 3.198 123.356 120.200 -0.070 0.000 2.047 71 E HA -0.038 4.313 4.350 0.000 0.000 0.191 71 E C 0.658 177.294 176.600 0.060 0.000 0.987 71 E CA 0.780 57.173 56.400 -0.011 0.000 0.799 71 E CB 0.300 30.009 29.700 0.016 0.000 0.752 71 E HN 0.488 nan 8.360 nan 0.000 0.449 72 S N -1.441 114.319 115.700 0.099 0.000 2.537 72 S HA 0.536 5.006 4.470 0.000 0.000 0.270 72 S C -1.400 173.289 174.600 0.149 0.000 1.142 72 S CA -0.914 57.381 58.200 0.159 0.000 0.870 72 S CB 0.699 64.081 63.200 0.302 0.000 1.112 72 S HN 0.206 nan 8.310 nan 0.000 0.466 73 I N 2.834 123.491 120.570 0.144 0.000 2.404 73 I HA 0.744 4.915 4.170 0.000 0.000 0.293 73 I C -0.063 176.159 176.117 0.175 0.000 0.992 73 I CA -0.661 60.720 61.300 0.134 0.000 1.149 73 I CB 1.849 39.909 38.000 0.100 0.000 1.315 73 I HN 0.705 nan 8.210 nan 0.000 0.446 74 A N 7.290 130.236 122.820 0.211 0.000 2.374 74 A HA 0.850 5.170 4.320 0.000 0.000 0.305 74 A C -1.036 176.706 177.584 0.263 0.000 1.053 74 A CA -0.495 51.679 52.037 0.229 0.000 0.726 74 A CB 1.220 20.359 19.000 0.232 0.000 1.229 74 A HN 0.653 nan 8.150 nan 0.000 0.431 75 L N 1.327 122.666 121.223 0.193 0.000 2.334 75 L HA 0.455 4.795 4.340 0.000 0.000 0.272 75 L C -0.522 176.433 176.870 0.143 0.000 1.020 75 L CA -0.972 53.985 54.840 0.196 0.000 0.812 75 L CB 1.796 43.957 42.059 0.171 0.000 1.264 75 L HN 0.726 nan 8.230 nan 0.000 0.439 76 D N 3.611 124.132 120.400 0.201 0.000 2.347 76 D HA 0.167 4.808 4.640 0.000 0.000 0.235 76 D C -1.684 174.660 176.300 0.073 0.000 1.149 76 D CA -2.078 52.000 54.000 0.131 0.000 0.850 76 D CB 1.699 42.626 40.800 0.212 0.000 1.061 76 D HN 0.201 nan 8.370 nan 0.000 0.487 77 P HA -0.116 nan 4.420 nan 0.000 0.225 77 P C 0.475 177.702 177.300 -0.121 0.000 1.148 77 P CA 0.901 63.817 63.100 -0.306 0.000 0.779 77 P CB 0.294 31.727 31.700 -0.446 0.000 0.780 78 H N -1.590 117.557 119.070 0.128 0.000 2.652 78 H HA 0.295 4.851 4.556 0.000 0.000 0.274 78 H C 0.201 175.610 175.328 0.135 0.000 1.021 78 H CA 0.031 56.155 56.048 0.126 0.000 1.187 78 H CB 0.105 29.906 29.762 0.064 0.000 1.505 78 H HN 0.256 nan 8.280 nan 0.000 0.530 79 N N 1.258 120.116 118.700 0.264 0.000 2.732 79 N HA 0.070 4.810 4.740 0.000 0.000 0.247 79 N C -2.199 173.399 175.510 0.147 0.000 1.305 79 N CA -1.263 51.887 53.050 0.167 0.000 0.762 79 N CB 1.607 40.173 38.487 0.131 0.000 1.361 79 N HN -0.180 nan 8.380 nan 0.000 0.545 80 P HA -0.129 nan 4.420 nan 0.000 0.223 80 P C 0.218 177.497 177.300 -0.036 0.000 1.144 80 P CA 1.051 64.002 63.100 -0.248 0.000 0.783 80 P CB 0.417 31.827 31.700 -0.482 0.000 0.771 81 D N -0.623 119.769 120.400 -0.014 0.000 2.269 81 D HA -0.012 4.629 4.640 0.000 0.000 0.208 81 D C 1.048 177.338 176.300 -0.018 0.000 0.963 81 D CA 0.569 54.561 54.000 -0.013 0.000 0.864 81 D CB -0.133 40.652 40.800 -0.025 0.000 0.936 81 D HN 0.232 nan 8.370 nan 0.000 0.505 82 R N 0.283 120.781 120.500 -0.002 0.000 2.539 82 R HA 0.431 4.771 4.340 0.000 0.000 0.275 82 R C -0.481 175.759 176.300 -0.100 0.000 1.077 82 R CA -0.431 55.615 56.100 -0.089 0.000 1.097 82 R CB 1.072 31.342 30.300 -0.050 0.000 1.018 82 R HN -0.042 nan 8.270 nan 0.000 0.483 83 L N 2.886 123.937 121.223 -0.287 0.000 2.493 83 L HA 0.383 4.724 4.340 0.000 0.000 0.265 83 L C -1.917 174.770 176.870 -0.305 0.000 0.954 83 L CA -0.508 54.211 54.840 -0.202 0.000 0.844 83 L CB 1.630 43.614 42.059 -0.125 0.000 1.302 83 L HN 0.485 nan 8.230 nan 0.000 0.405 84 Y N 5.060 125.437 120.300 0.128 0.000 2.376 84 Y HA 0.743 5.294 4.550 0.000 0.000 0.340 84 Y C -0.639 175.359 175.900 0.164 0.000 0.965 84 Y CA -0.751 57.465 58.100 0.193 0.000 1.078 84 Y CB 1.916 40.487 38.460 0.185 0.000 1.193 84 Y HN 0.394 nan 8.280 nan 0.000 0.452 85 L N 2.893 124.301 121.223 0.308 0.000 2.362 85 L HA 0.879 5.219 4.340 0.000 0.000 0.271 85 L C -0.462 176.497 176.870 0.147 0.000 1.002 85 L CA -1.265 53.666 54.840 0.152 0.000 0.818 85 L CB 2.094 44.136 42.059 -0.028 0.000 1.298 85 L HN 0.737 nan 8.230 nan 0.000 0.420 86 A N 2.831 125.682 122.820 0.050 0.000 2.260 86 A HA 0.684 5.004 4.320 0.000 0.000 0.314 86 A C -0.727 176.709 177.584 -0.246 0.000 1.257 86 A CA -0.535 51.366 52.037 -0.226 0.000 0.871 86 A CB 0.797 19.644 19.000 -0.256 0.000 1.166 86 A HN 0.617 nan 8.150 nan 0.000 0.522 87 Q N 0.863 120.458 119.800 -0.343 0.000 2.340 87 Q HA 0.691 5.031 4.340 0.000 0.000 0.268 87 Q C -0.315 175.502 176.000 -0.306 0.000 1.031 87 Q CA -0.136 55.503 55.803 -0.275 0.000 0.804 87 Q CB 2.237 30.829 28.738 -0.244 0.000 1.286 87 Q HN 1.492 nan 8.270 nan 0.000 0.448 88 G N 2.194 110.826 108.800 -0.281 0.000 2.220 88 G HA2 0.032 3.992 3.960 0.000 0.000 0.232 88 G HA3 0.032 3.992 3.960 0.000 0.000 0.232 88 G C -0.639 174.087 174.900 -0.291 0.000 1.680 88 G CA -0.668 44.254 45.100 -0.296 0.000 0.922 88 G HN 0.395 nan 8.290 nan 0.000 0.723 89 D N -0.073 120.108 120.400 -0.365 0.000 2.162 89 D HA 0.129 4.769 4.640 0.000 0.000 0.205 89 D C 0.226 176.142 176.300 -0.640 0.000 0.964 89 D CA 1.582 55.207 54.000 -0.625 0.000 0.847 89 D CB 0.120 40.308 40.800 -1.019 0.000 0.988 89 D HN 0.493 nan 8.370 nan 0.000 0.480 90 Y N -0.510 119.762 120.300 -0.047 0.000 2.346 90 Y HA 0.259 4.810 4.550 0.000 0.000 0.332 90 Y C 0.920 176.758 175.900 -0.105 0.000 0.985 90 Y CA -0.810 57.278 58.100 -0.020 0.000 1.112 90 Y CB 2.184 40.726 38.460 0.137 0.000 1.170 90 Y HN -0.380 nan 8.280 nan 0.000 0.447 91 V N 1.744 121.660 119.914 0.003 0.000 2.295 91 V HA -0.274 3.846 4.120 0.000 0.000 0.246 91 V C 2.038 178.034 176.094 -0.163 0.000 1.049 91 V CA 2.292 64.531 62.300 -0.102 0.000 1.024 91 V CB -0.140 31.593 31.823 -0.150 0.000 0.648 91 V HN 0.803 nan 8.190 nan 0.000 0.447 92 Q N -0.870 118.737 119.800 -0.322 0.000 2.049 92 Q HA -0.156 4.184 4.340 0.000 0.000 0.198 92 Q C 1.794 177.469 176.000 -0.541 0.000 0.971 92 Q CA 2.096 57.509 55.803 -0.650 0.000 0.833 92 Q CB -0.259 27.687 28.738 -1.320 0.000 0.896 92 Q HN 0.755 nan 8.270 nan 0.000 0.434 93 W N 0.421 121.723 121.300 0.002 0.000 3.077 93 W HA 0.269 4.929 4.660 0.001 0.000 0.266 93 W C -0.122 176.388 176.519 -0.015 0.000 1.300 93 W CA -0.706 56.607 57.345 -0.053 0.000 1.586 93 W CB 0.624 29.949 29.460 -0.224 0.000 1.103 93 W HN -0.074 nan 8.180 nan 0.000 0.652 94 D N 0.652 121.151 120.400 0.164 0.000 2.168 94 D HA 0.137 4.777 4.640 0.000 0.000 0.246 94 D C -1.515 174.779 176.300 -0.009 0.000 1.050 94 D CA -1.460 52.565 54.000 0.041 0.000 0.857 94 D CB 1.855 42.631 40.800 -0.040 0.000 1.169 94 D HN -0.173 nan 8.370 nan 0.000 0.453 95 P HA 0.106 nan 4.420 nan 0.000 0.235 95 P C -0.229 177.198 177.300 0.211 0.000 1.177 95 P CA 0.302 63.458 63.100 0.093 0.000 0.785 95 P CB 0.365 32.164 31.700 0.166 0.000 0.885 96 W N -1.305 119.979 121.300 -0.027 0.000 2.959 96 W HA 0.748 5.409 4.660 0.001 0.000 0.358 96 W C -1.911 174.542 176.519 -0.109 0.000 1.228 96 W CA -1.278 56.025 57.345 -0.070 0.000 1.183 96 W CB 0.631 30.058 29.460 -0.055 0.000 1.467 96 W HN -0.179 nan 8.180 nan 0.000 0.578 97 A N 0.637 123.561 122.820 0.173 0.000 2.552 97 A HA 1.028 5.348 4.320 0.000 0.000 0.288 97 A C -1.539 176.076 177.584 0.052 0.000 1.193 97 A CA -0.365 51.633 52.037 -0.065 0.000 0.713 97 A CB 1.200 20.043 19.000 -0.262 0.000 1.305 97 A HN 1.827 nan 8.150 nan 0.000 0.424 98 A N -0.809 121.887 122.820 -0.207 0.000 2.604 98 A HA 0.739 5.059 4.320 0.000 0.000 0.295 98 A C -1.647 175.679 177.584 -0.431 0.000 1.067 98 A CA -0.465 51.485 52.037 -0.145 0.000 0.683 98 A CB 0.624 19.723 19.000 0.164 0.000 1.281 98 A HN 0.896 nan 8.150 nan 0.000 0.407 99 F N 0.628 120.598 119.950 0.033 0.000 2.450 99 F HA 0.637 5.165 4.527 0.000 0.000 0.332 99 F C 0.105 176.001 175.800 0.159 0.000 1.093 99 F CA -0.493 57.558 58.000 0.086 0.000 1.003 99 F CB 1.760 40.889 39.000 0.214 0.000 1.151 99 F HN 0.338 nan 8.300 nan 0.000 0.474 100 L N 4.099 125.487 121.223 0.275 0.000 2.313 100 L HA 0.649 4.990 4.340 0.000 0.000 0.283 100 L C -0.991 176.127 176.870 0.413 0.000 1.013 100 L CA -0.957 53.986 54.840 0.171 0.000 0.816 100 L CB 1.690 43.496 42.059 -0.423 0.000 1.236 100 L HN 0.301 nan 8.230 nan 0.000 0.419 101 V N 1.977 122.187 119.914 0.494 0.000 2.448 101 V HA 0.513 4.633 4.120 0.000 0.000 0.295 101 V C -0.144 176.089 176.094 0.231 0.000 1.025 101 V CA -0.426 62.071 62.300 0.329 0.000 0.859 101 V CB 1.796 33.846 31.823 0.378 0.000 0.988 101 V HN 0.799 nan 8.190 nan 0.000 0.431 102 S N 2.003 117.683 115.700 -0.033 0.000 2.538 102 S HA 0.460 4.930 4.470 0.000 0.000 0.288 102 S C -0.212 174.265 174.600 -0.205 0.000 1.108 102 S CA -0.662 57.414 58.200 -0.207 0.000 0.971 102 S CB 1.845 64.732 63.200 -0.523 0.000 1.041 102 S HN 0.755 nan 8.310 nan 0.000 0.483 103 D N 2.378 122.686 120.400 -0.154 0.000 2.342 103 D HA 0.151 4.791 4.640 0.000 0.000 0.221 103 D C -0.273 175.966 176.300 -0.103 0.000 1.101 103 D CA 0.298 54.233 54.000 -0.109 0.000 0.837 103 D CB 0.375 41.136 40.800 -0.065 0.000 0.938 103 D HN 0.747 nan 8.370 nan 0.000 0.508 104 D N -0.930 119.386 120.400 -0.140 0.000 3.007 104 D HA 0.054 4.694 4.640 0.000 0.000 0.363 104 D C 0.017 176.255 176.300 -0.104 0.000 1.474 104 D CA -0.514 53.419 54.000 -0.112 0.000 0.767 104 D CB -0.253 40.477 40.800 -0.117 0.000 1.227 104 D HN -0.142 nan 8.370 nan 0.000 0.471 105 R N 0.076 120.538 120.500 -0.062 0.000 3.651 105 R HA -0.117 4.224 4.340 0.000 0.000 0.292 105 R C 1.037 177.354 176.300 0.029 0.000 1.161 105 R CA 0.648 56.786 56.100 0.064 0.000 0.787 105 R CB -2.526 27.830 30.300 0.093 0.000 1.249 105 R HN 0.797 nan 8.270 nan 0.000 0.476 106 G N -0.191 108.459 108.800 -0.250 0.000 2.143 106 G HA2 -0.372 3.588 3.960 0.000 0.000 0.249 106 G HA3 -0.372 3.588 3.960 0.000 0.000 0.249 106 G C 0.862 175.507 174.900 -0.426 0.000 0.981 106 G CA 0.765 45.547 45.100 -0.530 0.000 0.665 106 G HN 0.451 nan 8.290 nan 0.000 0.528 107 K N -0.074 120.152 120.400 -0.289 0.000 2.057 107 K HA 0.052 4.372 4.320 0.000 0.000 0.206 107 K C 1.408 177.841 176.600 -0.279 0.000 1.050 107 K CA 1.625 57.796 56.287 -0.195 0.000 0.935 107 K CB -0.098 32.325 32.500 -0.128 0.000 0.715 107 K HN 0.695 nan 8.250 nan 0.000 0.439 108 T N -1.755 112.545 114.554 -0.423 0.000 2.900 108 T HA 0.583 4.934 4.350 0.000 0.000 0.295 108 T C -0.653 173.683 174.700 -0.608 0.000 1.044 108 T CA -0.914 60.953 62.100 -0.389 0.000 0.995 108 T CB 1.262 69.996 68.868 -0.222 0.000 1.072 108 T HN -0.109 nan 8.240 nan 0.000 0.473 109 F N 0.546 120.377 119.950 -0.199 0.000 2.561 109 F HA 0.608 5.135 4.527 0.000 0.000 0.321 109 F C 0.617 176.324 175.800 -0.155 0.000 1.065 109 F CA -1.198 56.713 58.000 -0.148 0.000 0.934 109 F CB 2.334 41.248 39.000 -0.143 0.000 1.215 109 F HN 0.333 nan 8.300 nan 0.000 0.471 110 K N 1.514 122.002 120.400 0.146 0.000 2.123 110 K HA 0.356 4.676 4.320 0.000 0.000 0.259 110 K C -1.038 175.499 176.600 -0.105 0.000 0.960 110 K CA -0.879 55.391 56.287 -0.028 0.000 0.872 110 K CB 2.225 34.721 32.500 -0.006 0.000 1.079 110 K HN 0.630 nan 8.250 nan 0.000 0.440 111 Q N 2.339 121.935 119.800 -0.339 0.000 2.316 111 Q HA 0.327 4.668 4.340 0.000 0.000 0.264 111 Q C -1.694 173.958 176.000 -0.579 0.000 0.987 111 Q CA -0.651 55.008 55.803 -0.240 0.000 0.852 111 Q CB 1.017 29.737 28.738 -0.029 0.000 1.287 111 Q HN 0.494 nan 8.270 nan 0.000 0.448 112 Y N 1.313 121.728 120.300 0.191 0.000 2.442 112 Y HA 0.395 4.945 4.550 0.000 0.000 0.344 112 Y C -0.270 175.745 175.900 0.191 0.000 0.976 112 Y CA -1.159 57.057 58.100 0.194 0.000 1.040 112 Y CB 1.449 40.072 38.460 0.271 0.000 1.228 112 Y HN 0.590 nan 8.280 nan 0.000 0.451 113 R N 1.648 122.284 120.500 0.226 0.000 2.489 113 R HA 0.196 4.536 4.340 0.000 0.000 0.287 113 R C -0.045 176.347 176.300 0.153 0.000 1.053 113 R CA 0.078 56.235 56.100 0.094 0.000 1.036 113 R CB 0.559 30.835 30.300 -0.041 0.000 0.966 113 R HN 0.641 nan 8.270 nan 0.000 0.432 114 S N 5.268 120.968 115.700 0.002 0.000 2.548 114 S HA 0.292 4.762 4.470 0.000 0.000 0.277 114 S C -1.503 172.989 174.600 -0.180 0.000 1.315 114 S CA -1.344 56.745 58.200 -0.185 0.000 1.050 114 S CB 0.858 63.709 63.200 -0.581 0.000 0.918 114 S HN 0.704 nan 8.310 nan 0.000 0.497 115 P HA 0.105 nan 4.420 nan 0.000 0.245 115 P C 0.073 177.104 177.300 -0.449 0.000 1.206 115 P CA 0.310 63.226 63.100 -0.307 0.000 0.781 115 P CB -0.206 31.271 31.700 -0.371 0.000 0.994 116 V N -3.712 115.879 119.914 -0.538 0.000 2.914 116 V HA 0.708 4.828 4.120 0.000 0.000 0.314 116 V C -2.992 172.926 176.094 -0.293 0.000 1.084 116 V CA -3.004 59.033 62.300 -0.439 0.000 0.963 116 V CB 2.145 33.605 31.823 -0.606 0.000 1.025 116 V HN -0.254 nan 8.190 nan 0.000 0.432 117 P HA 0.446 nan 4.420 nan 0.000 0.274 117 P C -0.866 176.337 177.300 -0.163 0.000 1.246 117 P CA -0.352 62.653 63.100 -0.158 0.000 0.795 117 P CB 0.966 32.597 31.700 -0.115 0.000 1.006 118 M N -0.395 119.108 119.600 -0.162 0.000 2.691 118 M HA 0.596 5.076 4.480 0.000 0.000 0.293 118 M C 0.141 176.366 176.300 -0.125 0.000 1.259 118 M CA -0.502 54.720 55.300 -0.130 0.000 0.827 118 M CB 2.810 35.289 32.600 -0.201 0.000 1.753 118 M HN 0.455 nan 8.290 nan 0.000 0.465 119 G N -0.130 108.608 108.800 -0.103 0.000 4.412 119 G HA2 0.514 4.475 3.960 0.000 0.000 0.262 119 G HA3 0.514 4.475 3.960 0.000 0.000 0.262 119 G C 0.382 175.215 174.900 -0.111 0.000 1.142 119 G CA 0.051 45.084 45.100 -0.112 0.000 0.783 119 G HN 0.878 nan 8.290 nan 0.000 0.533 120 A N 1.176 123.906 122.820 -0.151 0.000 2.024 120 A HA -0.097 4.223 4.320 0.000 0.000 0.220 120 A C 1.766 179.282 177.584 -0.113 0.000 1.164 120 A CA 1.644 53.605 52.037 -0.127 0.000 0.643 120 A CB -0.009 18.894 19.000 -0.160 0.000 0.806 120 A HN 0.461 nan 8.150 nan 0.000 0.451 121 N N 0.137 118.717 118.700 -0.201 0.000 2.321 121 N HA 0.123 4.863 4.740 0.000 0.000 0.242 121 N C -1.067 174.467 175.510 0.040 0.000 1.141 121 N CA -0.207 52.777 53.050 -0.110 0.000 0.864 121 N CB 0.047 38.371 38.487 -0.271 0.000 1.100 121 N HN 0.266 nan 8.380 nan 0.000 0.510 122 D N -0.239 120.175 120.400 0.024 0.000 2.442 122 D HA 0.239 4.879 4.640 0.000 0.000 0.254 122 D C 0.733 177.043 176.300 0.017 0.000 1.069 122 D CA -0.404 53.633 54.000 0.063 0.000 1.017 122 D CB 0.858 41.666 40.800 0.014 0.000 1.172 122 D HN -0.011 nan 8.370 nan 0.000 0.561 123 M N 0.037 119.625 119.600 -0.020 0.000 2.246 123 M HA 0.145 4.626 4.480 0.000 0.000 0.327 123 M C 1.444 177.654 176.300 -0.149 0.000 1.090 123 M CA 0.564 55.788 55.300 -0.126 0.000 1.087 123 M CB -0.567 31.925 32.600 -0.181 0.000 1.587 123 M HN 0.763 nan 8.290 nan 0.000 0.444 124 G N 2.310 110.996 108.800 -0.190 0.000 2.168 124 G HA2 -0.357 3.603 3.960 0.000 0.000 0.263 124 G HA3 -0.357 3.603 3.960 0.000 0.000 0.263 124 G C 1.088 175.931 174.900 -0.093 0.000 0.977 124 G CA 0.922 45.913 45.100 -0.181 0.000 0.659 124 G HN 0.873 nan 8.290 nan 0.000 0.533 125 R N 0.883 121.362 120.500 -0.035 0.000 2.193 125 R HA -0.099 4.241 4.340 0.000 0.000 0.229 125 R C 2.093 178.423 176.300 0.050 0.000 1.110 125 R CA 1.566 57.675 56.100 0.014 0.000 0.988 125 R CB -0.747 29.590 30.300 0.062 0.000 0.871 125 R HN 0.582 nan 8.270 nan 0.000 0.458 126 N N 1.422 120.187 118.700 0.107 0.000 2.381 126 N HA -0.075 4.666 4.740 0.000 0.000 0.182 126 N C 0.896 176.452 175.510 0.077 0.000 1.025 126 N CA 1.006 54.156 53.050 0.168 0.000 0.888 126 N CB -0.276 38.314 38.487 0.171 0.000 0.965 126 N HN 0.294 nan 8.380 nan 0.000 0.438 127 G N -0.613 108.200 108.800 0.022 0.000 2.580 127 G HA2 0.470 4.430 3.960 0.000 0.000 0.278 127 G HA3 0.470 4.430 3.960 0.000 0.000 0.278 127 G C -0.198 174.712 174.900 0.016 0.000 1.212 127 G CA -0.182 44.927 45.100 0.016 0.000 0.939 127 G HN 0.284 nan 8.290 nan 0.000 0.513 128 G N -0.223 108.593 108.800 0.027 0.000 4.040 128 G HA2 0.489 4.449 3.960 0.000 0.000 0.328 128 G HA3 0.489 4.449 3.960 0.000 0.000 0.328 128 G C -0.647 174.292 174.900 0.066 0.000 1.503 128 G CA -0.276 44.858 45.100 0.056 0.000 0.909 128 G HN 0.517 nan 8.290 nan 0.000 0.495 129 E N -0.029 120.211 120.200 0.065 0.000 7.068 129 E HA -0.145 4.205 4.350 0.000 0.000 0.216 129 E C 0.865 177.511 176.600 0.077 0.000 1.080 129 E CA 0.307 56.763 56.400 0.092 0.000 1.549 129 E CB -0.652 29.121 29.700 0.122 0.000 0.929 129 E HN 0.805 nan 8.360 nan 0.000 0.281 130 R N 1.092 121.626 120.500 0.056 0.000 2.146 130 R HA 0.271 4.611 4.340 0.000 0.000 0.206 130 R C 1.138 177.504 176.300 0.110 0.000 1.049 130 R CA 0.125 56.175 56.100 -0.084 0.000 1.029 130 R CB 0.506 30.544 30.300 -0.436 0.000 0.949 130 R HN 0.317 nan 8.270 nan 0.000 0.471 131 L N 1.330 122.772 121.223 0.365 0.000 2.326 131 L HA 0.488 4.828 4.340 0.000 0.000 0.278 131 L C -0.851 176.213 176.870 0.323 0.000 1.092 131 L CA -0.549 54.584 54.840 0.488 0.000 0.810 131 L CB 1.412 43.777 42.059 0.510 0.000 1.153 131 L HN 0.123 nan 8.230 nan 0.000 0.439 132 A N 4.106 127.119 122.820 0.323 0.000 2.517 132 A HA 0.602 4.922 4.320 0.000 0.000 0.297 132 A C -1.207 176.454 177.584 0.128 0.000 1.050 132 A CA -0.474 51.721 52.037 0.264 0.000 0.694 132 A CB 1.697 20.920 19.000 0.372 0.000 1.277 132 A HN 0.350 nan 8.150 nan 0.000 0.400 133 V N 2.539 122.414 119.914 -0.066 0.000 2.498 133 V HA 0.204 4.325 4.120 0.000 0.000 0.279 133 V C 0.608 176.269 176.094 -0.722 0.000 1.048 133 V CA -0.790 61.314 62.300 -0.327 0.000 0.967 133 V CB 1.228 32.918 31.823 -0.222 0.000 0.988 133 V HN 0.863 nan 8.190 nan 0.000 0.473 134 N N 7.088 125.076 118.700 -1.187 0.000 2.429 134 N HA 0.108 4.848 4.740 0.000 0.000 0.271 134 N C -1.682 173.340 175.510 -0.814 0.000 1.272 134 N CA -1.626 50.396 53.050 -1.713 0.000 0.921 134 N CB 1.441 39.230 38.487 -1.164 0.000 1.128 134 N HN 0.300 nan 8.380 nan 0.000 0.481 135 P HA -0.053 nan 4.420 nan 0.000 0.223 135 P C 0.232 177.335 177.300 -0.327 0.000 1.151 135 P CA 1.212 63.981 63.100 -0.553 0.000 0.787 135 P CB 0.145 31.440 31.700 -0.675 0.000 0.788 136 H N -4.181 114.870 119.070 -0.031 0.000 2.551 136 H HA 0.165 4.721 4.556 0.000 0.000 0.271 136 H C -0.264 175.164 175.328 0.167 0.000 0.984 136 H CA 0.325 56.424 56.048 0.085 0.000 1.164 136 H CB 0.163 29.966 29.762 0.069 0.000 1.437 136 H HN 0.203 nan 8.280 nan 0.000 0.550 137 W N 2.279 123.540 121.300 -0.066 0.000 2.861 137 W HA 0.101 4.762 4.660 0.000 0.000 0.302 137 W C 0.154 176.595 176.519 -0.130 0.000 1.068 137 W CA -1.274 56.033 57.345 -0.063 0.000 1.161 137 W CB -0.098 29.338 29.460 -0.039 0.000 0.981 137 W HN -0.084 nan 8.180 nan 0.000 0.322 138 T N -1.248 113.333 114.554 0.045 0.000 3.148 138 T HA -0.000 4.350 4.350 0.000 0.000 0.253 138 T C 0.865 175.413 174.700 -0.254 0.000 1.134 138 T CA 1.197 63.223 62.100 -0.123 0.000 1.051 138 T CB 0.262 69.147 68.868 0.029 0.000 0.959 138 T HN 0.233 nan 8.240 nan 0.000 0.525 139 D N 1.481 121.592 120.400 -0.482 0.000 2.277 139 D HA 0.031 4.671 4.640 0.000 0.000 0.208 139 D C 0.752 176.587 176.300 -0.776 0.000 0.962 139 D CA 0.539 54.203 54.000 -0.560 0.000 0.865 139 D CB 0.151 40.665 40.800 -0.478 0.000 0.939 139 D HN 0.679 nan 8.370 nan 0.000 0.510 140 E N 0.733 120.343 120.200 -0.983 0.000 2.200 140 E HA 0.342 4.693 4.350 0.000 0.000 0.283 140 E C -1.104 175.186 176.600 -0.516 0.000 1.015 140 E CA -0.429 55.513 56.400 -0.763 0.000 0.819 140 E CB 0.627 29.891 29.700 -0.728 0.000 1.081 140 E HN -0.133 nan 8.360 nan 0.000 0.397 141 L N 4.340 125.340 121.223 -0.372 0.000 2.370 141 L HA 0.523 4.863 4.340 0.000 0.000 0.266 141 L C -0.976 176.107 176.870 0.355 0.000 1.002 141 L CA -0.653 54.095 54.840 -0.152 0.000 0.818 141 L CB 1.190 43.082 42.059 -0.278 0.000 1.325 141 L HN 0.556 nan 8.230 nan 0.000 0.418 142 W N 1.876 123.376 121.300 0.334 0.000 2.578 142 W HA 0.582 5.242 4.660 0.000 0.000 0.353 142 W C -0.723 176.120 176.519 0.539 0.000 1.088 142 W CA -1.312 56.297 57.345 0.441 0.000 1.235 142 W CB 1.139 30.796 29.460 0.328 0.000 1.362 142 W HN 0.231 nan 8.180 nan 0.000 0.592 143 F N 0.750 121.033 119.950 0.556 0.000 2.617 143 F HA 0.563 5.090 4.527 0.000 0.000 0.325 143 F C 0.425 176.348 175.800 0.206 0.000 1.179 143 F CA -0.797 57.384 58.000 0.302 0.000 0.965 143 F CB 1.215 40.268 39.000 0.088 0.000 1.232 143 F HN 0.377 nan 8.300 nan 0.000 0.461 144 G N 4.438 112.914 108.800 -0.540 0.000 2.519 144 G HA2 0.349 4.309 3.960 0.000 0.000 0.306 144 G HA3 0.349 4.309 3.960 0.000 0.000 0.306 144 G C -0.116 174.322 174.900 -0.769 0.000 0.965 144 G CA -0.067 44.748 45.100 -0.475 0.000 1.291 144 G HN 0.795 nan 8.290 nan 0.000 0.450 145 S N 2.335 117.781 115.700 -0.423 0.000 2.603 145 S HA 0.217 4.687 4.470 0.000 0.000 0.268 145 S C 1.417 175.893 174.600 -0.208 0.000 1.317 145 S CA -0.627 57.419 58.200 -0.257 0.000 1.012 145 S CB 1.870 65.076 63.200 0.011 0.000 0.926 145 S HN 0.597 nan 8.310 nan 0.000 0.539 146 R N 0.327 120.720 120.500 -0.177 0.000 2.148 146 R HA -0.022 4.319 4.340 0.000 0.000 0.227 146 R C 1.622 177.749 176.300 -0.289 0.000 1.103 146 R CA 1.630 57.602 56.100 -0.212 0.000 0.983 146 R CB -0.379 29.801 30.300 -0.201 0.000 0.874 146 R HN 0.956 nan 8.270 nan 0.000 0.451 147 T N -5.043 109.350 114.554 -0.268 0.000 3.016 147 T HA 0.173 4.524 4.350 0.000 0.000 0.271 147 T C 0.919 175.610 174.700 -0.014 0.000 0.968 147 T CA -0.376 61.495 62.100 -0.380 0.000 0.891 147 T CB 0.712 69.266 68.868 -0.523 0.000 1.149 147 T HN 0.004 nan 8.240 nan 0.000 0.524 148 Q N 0.861 120.707 119.800 0.077 0.000 2.074 148 Q HA 0.476 4.816 4.340 0.000 0.000 0.265 148 Q C 0.693 176.880 176.000 0.312 0.000 0.855 148 Q CA -0.170 55.788 55.803 0.259 0.000 1.083 148 Q CB 1.272 30.257 28.738 0.412 0.000 1.260 148 Q HN 0.663 nan 8.270 nan 0.000 0.427 149 G N 1.280 110.141 108.800 0.102 0.000 2.598 149 G HA2 -0.291 3.669 3.960 0.000 0.000 0.244 149 G HA3 -0.291 3.669 3.960 0.000 0.000 0.244 149 G C -0.909 174.011 174.900 0.033 0.000 1.302 149 G CA -0.511 44.566 45.100 -0.039 0.000 0.903 149 G HN 0.213 nan 8.290 nan 0.000 0.575 150 L N -0.096 121.027 121.223 -0.167 0.000 2.276 150 L HA 0.779 5.119 4.340 0.000 0.000 0.286 150 L C -0.534 176.280 176.870 -0.092 0.000 1.061 150 L CA -0.590 54.156 54.840 -0.157 0.000 0.807 150 L CB 0.673 42.449 42.059 -0.472 0.000 1.177 150 L HN 0.552 nan 8.230 nan 0.000 0.429 151 W N 5.195 126.514 121.300 0.032 0.000 2.689 151 W HA 0.680 5.340 4.660 0.001 0.000 0.340 151 W C -0.346 176.414 176.519 0.402 0.000 1.060 151 W CA -0.590 56.886 57.345 0.218 0.000 1.218 151 W CB 1.358 30.994 29.460 0.293 0.000 1.410 151 W HN 0.421 nan 8.180 nan 0.000 0.528 152 R N 1.832 122.656 120.500 0.539 0.000 2.575 152 R HA 0.671 5.012 4.340 0.000 0.000 0.293 152 R C -1.158 175.153 176.300 0.019 0.000 0.983 152 R CA -0.420 55.873 56.100 0.322 0.000 0.887 152 R CB 1.872 32.229 30.300 0.095 0.000 1.184 152 R HN 0.373 nan 8.270 nan 0.000 0.445 153 S N 1.441 116.846 115.700 -0.491 0.000 2.500 153 S HA 0.318 4.789 4.470 0.000 0.000 0.301 153 S C 0.147 174.396 174.600 -0.585 0.000 1.092 153 S CA -0.387 57.259 58.200 -0.923 0.000 1.030 153 S CB 1.577 63.560 63.200 -2.029 0.000 1.031 153 S HN 0.739 nan 8.310 nan 0.000 0.483 154 T N -0.012 114.247 114.554 -0.492 0.000 3.132 154 T HA 0.263 4.613 4.350 0.000 0.000 0.274 154 T C -0.192 174.239 174.700 -0.449 0.000 1.011 154 T CA -0.199 61.568 62.100 -0.555 0.000 0.899 154 T CB -0.243 68.405 68.868 -0.368 0.000 1.089 154 T HN 0.611 nan 8.240 nan 0.000 0.543 155 D N 0.931 121.076 120.400 -0.426 0.000 2.804 155 D HA 0.194 4.834 4.640 0.000 0.000 0.308 155 D C 0.386 176.490 176.300 -0.325 0.000 1.371 155 D CA -0.796 53.020 54.000 -0.307 0.000 0.823 155 D CB -0.348 40.307 40.800 -0.241 0.000 1.126 155 D HN 0.258 nan 8.370 nan 0.000 0.467 156 R N 0.329 120.619 120.500 -0.349 0.000 3.422 156 R HA -0.152 4.188 4.340 0.000 0.000 0.267 156 R C 0.590 176.757 176.300 -0.222 0.000 1.074 156 R CA 0.580 56.552 56.100 -0.213 0.000 0.718 156 R CB -2.231 28.055 30.300 -0.022 0.000 1.157 156 R HN 0.630 nan 8.270 nan 0.000 0.440 157 A N -1.524 120.984 122.820 -0.519 0.000 3.201 157 A HA -0.335 3.985 4.320 0.000 0.000 0.260 157 A C 1.475 178.861 177.584 -0.330 0.000 1.222 157 A CA 1.784 53.517 52.037 -0.507 0.000 1.124 157 A CB -1.333 17.617 19.000 -0.082 0.000 1.155 157 A HN 0.658 nan 8.150 nan 0.000 0.924 158 Q N -0.439 119.026 119.800 -0.557 0.000 2.016 158 Q HA 0.033 4.373 4.340 0.000 0.000 0.200 158 Q C 1.209 177.074 176.000 -0.225 0.000 0.978 158 Q CA 1.680 57.076 55.803 -0.679 0.000 0.833 158 Q CB -0.103 28.213 28.738 -0.703 0.000 0.895 158 Q HN 1.188 nan 8.270 nan 0.000 0.427 159 T N -3.058 111.311 114.554 -0.308 0.000 2.916 159 T HA 0.568 4.918 4.350 0.000 0.000 0.292 159 T C -1.474 173.042 174.700 -0.307 0.000 1.064 159 T CA -0.859 61.195 62.100 -0.078 0.000 1.011 159 T CB 1.458 70.313 68.868 -0.021 0.000 1.152 159 T HN 0.229 nan 8.240 nan 0.000 0.510 160 W N -0.003 121.366 121.300 0.115 0.000 3.256 160 W HA 0.650 5.310 4.660 0.000 0.000 0.324 160 W C -0.734 176.007 176.519 0.370 0.000 1.196 160 W CA -0.493 56.997 57.345 0.240 0.000 1.206 160 W CB 2.627 32.275 29.460 0.313 0.000 1.385 160 W HN 0.875 nan 8.180 nan 0.000 0.522 161 S N 1.379 117.370 115.700 0.485 0.000 2.569 161 S HA 0.567 5.037 4.470 0.000 0.000 0.280 161 S C -0.937 173.412 174.600 -0.419 0.000 1.111 161 S CA -1.092 57.152 58.200 0.073 0.000 0.887 161 S CB 2.253 65.448 63.200 -0.008 0.000 1.095 161 S HN 0.472 nan 8.310 nan 0.000 0.476 162 R N 1.283 121.125 120.500 -1.097 0.000 2.390 162 R HA 0.360 4.700 4.340 0.000 0.000 0.291 162 R C -0.661 175.255 176.300 -0.640 0.000 1.070 162 R CA -0.204 55.060 56.100 -1.394 0.000 1.014 162 R CB 0.300 29.710 30.300 -1.482 0.000 1.007 162 R HN 0.646 nan 8.270 nan 0.000 0.466 163 M N 5.247 124.522 119.600 -0.542 0.000 2.664 163 M HA 0.134 4.614 4.480 0.000 0.000 0.332 163 M C 0.469 176.543 176.300 -0.378 0.000 1.354 163 M CA -0.319 54.755 55.300 -0.377 0.000 1.399 163 M CB 0.808 33.171 32.600 -0.395 0.000 1.224 163 M HN 0.572 nan 8.290 nan 0.000 0.479 164 N N 1.848 120.369 118.700 -0.298 0.000 2.443 164 N HA -0.152 4.588 4.740 0.000 0.000 0.184 164 N C 1.706 177.082 175.510 -0.223 0.000 1.037 164 N CA 0.979 53.880 53.050 -0.249 0.000 0.896 164 N CB 0.082 38.460 38.487 -0.182 0.000 0.959 164 N HN 0.673 nan 8.380 nan 0.000 0.442 165 Q N 0.400 120.094 119.800 -0.176 0.000 2.364 165 Q HA -0.079 4.262 4.340 0.000 0.000 0.207 165 Q C 0.704 176.587 176.000 -0.195 0.000 0.970 165 Q CA 0.494 56.253 55.803 -0.074 0.000 0.888 165 Q CB -0.467 28.330 28.738 0.099 0.000 0.951 165 Q HN 0.279 nan 8.270 nan 0.000 0.469 166 L N 3.118 124.000 121.223 -0.568 0.000 2.268 166 L HA 0.397 4.737 4.340 0.000 0.000 0.289 166 L C -2.555 173.841 176.870 -0.790 0.000 1.064 166 L CA -1.921 52.315 54.840 -1.006 0.000 0.824 166 L CB 1.009 42.181 42.059 -1.478 0.000 1.202 166 L HN -0.174 nan 8.230 nan 0.000 0.433 167 P HA 0.084 nan 4.420 nan 0.000 0.264 167 P C -1.345 175.614 177.300 -0.568 0.000 1.193 167 P CA 0.096 62.861 63.100 -0.558 0.000 0.763 167 P CB 0.489 31.927 31.700 -0.437 0.000 0.810 168 D N 1.578 121.789 120.400 -0.316 0.000 2.446 168 D HA 0.193 4.833 4.640 0.000 0.000 0.251 168 D C -0.038 176.213 176.300 -0.081 0.000 1.137 168 D CA -0.346 53.522 54.000 -0.221 0.000 0.890 168 D CB 0.245 40.931 40.800 -0.190 0.000 1.071 168 D HN -0.004 nan 8.370 nan 0.000 0.528 169 S N 0.784 116.469 115.700 -0.025 0.000 2.577 169 S HA 0.064 4.534 4.470 0.000 0.000 0.219 169 S C 0.748 175.372 174.600 0.041 0.000 0.962 169 S CA -0.488 57.725 58.200 0.023 0.000 0.921 169 S CB -0.117 63.115 63.200 0.052 0.000 0.789 169 S HN 0.586 nan 8.310 nan 0.000 0.497 170 S N 2.085 117.808 115.700 0.039 0.000 2.573 170 S HA 0.127 4.598 4.470 0.000 0.000 0.277 170 S C 0.450 175.107 174.600 0.094 0.000 1.346 170 S CA -0.424 57.818 58.200 0.069 0.000 1.034 170 S CB 0.282 63.518 63.200 0.060 0.000 0.879 170 S HN 0.327 nan 8.310 nan 0.000 0.528 171 T N 2.759 117.391 114.554 0.131 0.000 2.738 171 T HA -0.044 4.306 4.350 0.000 0.000 0.277 171 T C -0.085 174.684 174.700 0.115 0.000 0.981 171 T CA -0.290 61.893 62.100 0.139 0.000 1.211 171 T CB -1.166 67.801 68.868 0.165 0.000 0.932 171 T HN 0.561 nan 8.240 nan 0.000 0.522 172 Y N 4.984 125.288 120.300 0.006 0.000 2.916 172 Y HA 0.224 4.774 4.550 0.000 0.000 0.344 172 Y C 1.529 177.413 175.900 -0.026 0.000 1.282 172 Y CA 1.558 59.650 58.100 -0.014 0.000 1.604 172 Y CB -0.415 38.034 38.460 -0.019 0.000 1.207 172 Y HN 1.108 nan 8.280 nan 0.000 0.561 173 G N 4.033 112.504 108.800 -0.549 0.000 2.258 173 G HA2 -0.327 3.633 3.960 0.000 0.000 0.233 173 G HA3 -0.327 3.633 3.960 0.000 0.000 0.233 173 G C 0.729 175.491 174.900 -0.229 0.000 1.006 173 G CA 0.438 45.304 45.100 -0.390 0.000 0.620 173 G HN 0.633 nan 8.290 nan 0.000 0.511 174 I N 1.078 121.547 120.570 -0.168 0.000 2.556 174 I HA 0.495 4.665 4.170 0.000 0.000 0.251 174 I C 2.118 178.140 176.117 -0.157 0.000 1.105 174 I CA 1.912 63.103 61.300 -0.181 0.000 1.436 174 I CB -0.278 37.566 38.000 -0.260 0.000 1.139 174 I HN 1.199 nan 8.210 nan 0.000 0.438 175 G N 1.120 109.861 108.800 -0.098 0.000 2.525 175 G HA2 -0.279 3.682 3.960 0.000 0.000 0.248 175 G HA3 -0.279 3.682 3.960 0.000 0.000 0.248 175 G C -0.222 174.639 174.900 -0.065 0.000 1.238 175 G CA -0.358 44.684 45.100 -0.096 0.000 0.926 175 G HN 0.146 nan 8.290 nan 0.000 0.574 176 I N 2.144 122.644 120.570 -0.117 0.000 2.311 176 I HA 0.218 4.388 4.170 0.000 0.000 0.297 176 I C 1.725 177.772 176.117 -0.117 0.000 1.131 176 I CA -0.005 61.230 61.300 -0.108 0.000 1.289 176 I CB 0.584 38.482 38.000 -0.170 0.000 1.446 176 I HN 0.508 nan 8.210 nan 0.000 0.524 177 I N 1.655 122.193 120.570 -0.053 0.000 2.614 177 I HA 0.002 4.172 4.170 0.000 0.000 0.258 177 I C 0.970 177.070 176.117 -0.029 0.000 1.189 177 I CA 0.684 61.948 61.300 -0.060 0.000 1.462 177 I CB -0.510 37.473 38.000 -0.028 0.000 1.092 177 I HN 0.451 nan 8.210 nan 0.000 0.442 178 S N 0.020 115.724 115.700 0.007 0.000 2.668 178 S HA 0.691 5.161 4.470 0.000 0.000 0.277 178 S C -1.067 173.579 174.600 0.077 0.000 1.170 178 S CA -0.595 57.636 58.200 0.051 0.000 0.994 178 S CB 1.327 64.572 63.200 0.076 0.000 1.051 178 S HN -0.050 nan 8.310 nan 0.000 0.484 179 V N 6.676 126.650 119.914 0.099 0.000 2.407 179 V HA 0.624 4.744 4.120 0.000 0.000 0.291 179 V C -0.249 175.931 176.094 0.144 0.000 1.018 179 V CA -0.636 61.745 62.300 0.136 0.000 0.842 179 V CB 1.173 33.100 31.823 0.173 0.000 0.996 179 V HN 0.813 nan 8.190 nan 0.000 0.426 180 I N 0.830 121.482 120.570 0.137 0.000 2.647 180 I HA 0.697 4.867 4.170 0.000 0.000 0.295 180 I C -1.348 174.800 176.117 0.053 0.000 1.078 180 I CA -0.655 60.733 61.300 0.146 0.000 1.048 180 I CB 2.213 40.330 38.000 0.195 0.000 1.239 180 I HN 0.336 nan 8.210 nan 0.000 0.421 181 F N 2.785 122.794 119.950 0.098 0.000 2.385 181 F HA 0.298 4.825 4.527 0.000 0.000 0.336 181 F C 0.753 176.641 175.800 0.146 0.000 1.100 181 F CA -0.019 58.013 58.000 0.053 0.000 1.116 181 F CB 0.908 39.848 39.000 -0.100 0.000 1.166 181 F HN 0.530 nan 8.300 nan 0.000 0.511 182 D N 5.428 126.065 120.400 0.395 0.000 2.346 182 D HA 0.081 4.721 4.640 0.000 0.000 0.260 182 D C -1.534 175.006 176.300 0.399 0.000 1.252 182 D CA -1.817 52.405 54.000 0.371 0.000 0.895 182 D CB 1.262 42.275 40.800 0.355 0.000 1.097 182 D HN 0.183 nan 8.370 nan 0.000 0.489 183 P HA -0.105 nan 4.420 nan 0.000 0.223 183 P C 0.980 178.472 177.300 0.321 0.000 1.151 183 P CA 0.844 64.064 63.100 0.200 0.000 0.787 183 P CB 0.545 32.306 31.700 0.102 0.000 0.788 184 K N -0.057 120.505 120.400 0.270 0.000 2.244 184 K HA 0.084 4.405 4.320 0.000 0.000 0.200 184 K C 0.580 177.271 176.600 0.151 0.000 1.052 184 K CA 0.554 56.961 56.287 0.200 0.000 0.980 184 K CB 0.107 32.688 32.500 0.135 0.000 0.838 184 K HN -0.066 nan 8.250 nan 0.000 0.481 185 N N 1.696 120.486 118.700 0.149 0.000 2.511 185 N HA 0.143 4.883 4.740 0.000 0.000 0.249 185 N C -1.188 174.293 175.510 -0.049 0.000 0.971 185 N CA -0.435 52.649 53.050 0.057 0.000 0.938 185 N CB 1.992 40.547 38.487 0.113 0.000 1.131 185 N HN -0.138 nan 8.380 nan 0.000 0.505 186 V N 1.277 121.003 119.914 -0.313 0.000 2.625 186 V HA 0.029 4.149 4.120 0.000 0.000 0.305 186 V C 1.594 177.622 176.094 -0.110 0.000 1.055 186 V CA 1.200 63.193 62.300 -0.511 0.000 1.209 186 V CB 0.082 31.672 31.823 -0.389 0.000 0.877 186 V HN 1.056 nan 8.190 nan 0.000 0.489 187 G N 3.656 112.467 108.800 0.018 0.000 2.179 187 G HA2 -0.240 3.720 3.960 0.000 0.000 0.260 187 G HA3 -0.240 3.720 3.960 0.000 0.000 0.260 187 G C 0.293 175.257 174.900 0.107 0.000 0.977 187 G CA 0.190 45.358 45.100 0.113 0.000 0.641 187 G HN 0.781 nan 8.290 nan 0.000 0.533 188 T N 1.041 115.670 114.554 0.125 0.000 2.806 188 T HA 0.738 5.088 4.350 0.000 0.000 0.290 188 T C 0.251 174.952 174.700 0.001 0.000 0.966 188 T CA 0.724 62.856 62.100 0.053 0.000 1.060 188 T CB 1.644 70.620 68.868 0.180 0.000 0.927 188 T HN 1.572 nan 8.240 nan 0.000 0.485 189 A N 3.053 125.722 122.820 -0.251 0.000 2.594 189 A HA 0.761 5.081 4.320 0.000 0.000 0.295 189 A C -2.107 175.298 177.584 -0.300 0.000 1.071 189 A CA -0.836 51.093 52.037 -0.180 0.000 0.685 189 A CB 1.232 20.109 19.000 -0.204 0.000 1.285 189 A HN 0.734 nan 8.150 nan 0.000 0.405 190 Y N -0.292 120.104 120.300 0.159 0.000 2.462 190 Y HA 0.675 5.225 4.550 0.000 0.000 0.346 190 Y C -0.083 175.951 175.900 0.224 0.000 0.976 190 Y CA -0.888 57.341 58.100 0.216 0.000 1.044 190 Y CB 2.465 41.014 38.460 0.149 0.000 1.230 190 Y HN 0.486 nan 8.280 nan 0.000 0.455 191 V N 2.081 122.219 119.914 0.374 0.000 2.760 191 V HA 0.791 4.911 4.120 0.000 0.000 0.309 191 V C -0.988 175.226 176.094 0.200 0.000 1.077 191 V CA -0.938 61.479 62.300 0.195 0.000 0.910 191 V CB 2.025 33.837 31.823 -0.019 0.000 1.008 191 V HN 0.856 nan 8.190 nan 0.000 0.424 192 A N 3.233 126.138 122.820 0.140 0.000 2.273 192 A HA 0.678 4.998 4.320 0.000 0.000 0.320 192 A C 0.109 177.765 177.584 0.119 0.000 1.358 192 A CA -0.235 51.893 52.037 0.150 0.000 0.910 192 A CB 0.977 20.049 19.000 0.120 0.000 1.159 192 A HN 0.786 nan 8.150 nan 0.000 0.526 193 S N 1.398 117.200 115.700 0.170 0.000 2.531 193 S HA 0.114 4.585 4.470 0.000 0.000 0.279 193 S C 0.236 174.928 174.600 0.153 0.000 1.305 193 S CA -0.133 58.146 58.200 0.132 0.000 1.058 193 S CB -0.153 63.164 63.200 0.196 0.000 0.899 193 S HN 0.722 nan 8.310 nan 0.000 0.493 194 H N 3.584 122.673 119.070 0.032 0.000 3.224 194 H HA 0.519 5.076 4.556 0.000 0.000 0.265 194 H C -0.012 175.340 175.328 0.040 0.000 1.461 194 H CA 0.914 56.985 56.048 0.038 0.000 1.509 194 H CB -0.560 29.210 29.762 0.013 0.000 1.686 194 H HN 0.722 nan 8.280 nan 0.000 0.514 195 A N 2.767 125.520 122.820 -0.113 0.000 2.583 195 A HA 0.350 4.670 4.320 0.000 0.000 0.292 195 A C -1.039 176.471 177.584 -0.123 0.000 1.045 195 A CA -0.750 51.226 52.037 -0.102 0.000 0.672 195 A CB 0.448 19.450 19.000 0.003 0.000 1.283 195 A HN 0.273 nan 8.150 nan 0.000 0.419 196 V N 1.429 121.249 119.914 -0.156 0.000 2.584 196 V HA 0.353 4.473 4.120 0.000 0.000 0.303 196 V C 1.664 177.635 176.094 -0.204 0.000 1.035 196 V CA 1.876 64.044 62.300 -0.220 0.000 1.172 196 V CB 0.207 31.908 31.823 -0.203 0.000 0.896 196 V HN 2.557 nan 8.190 nan 0.000 0.486 197 G N 4.126 112.757 108.800 -0.283 0.000 2.273 197 G HA2 -0.195 3.765 3.960 0.000 0.000 0.280 197 G HA3 -0.195 3.765 3.960 0.000 0.000 0.280 197 G C 0.789 175.537 174.900 -0.253 0.000 1.047 197 G CA 0.249 45.163 45.100 -0.310 0.000 0.869 197 G HN 1.474 nan 8.290 nan 0.000 0.502 198 G N -1.069 107.660 108.800 -0.118 0.000 2.920 198 G HA2 0.351 4.311 3.960 0.000 0.000 0.208 198 G HA3 0.351 4.311 3.960 0.000 0.000 0.208 198 G C 0.631 175.575 174.900 0.073 0.000 1.159 198 G CA 0.264 45.385 45.100 0.035 0.000 0.784 198 G HN 0.754 nan 8.290 nan 0.000 0.535 199 L N 1.049 122.225 121.223 -0.078 0.000 2.315 199 L HA 0.569 4.909 4.340 0.000 0.000 0.283 199 L C -1.031 175.761 176.870 -0.129 0.000 1.089 199 L CA -1.178 53.672 54.840 0.017 0.000 0.833 199 L CB 0.242 42.351 42.059 0.084 0.000 1.170 199 L HN 0.145 nan 8.230 nan 0.000 0.442 200 W N 4.208 125.559 121.300 0.085 0.000 2.689 200 W HA 0.703 5.363 4.660 0.000 0.000 0.340 200 W C -0.640 175.984 176.519 0.175 0.000 1.060 200 W CA -0.581 56.824 57.345 0.099 0.000 1.218 200 W CB 1.868 31.343 29.460 0.025 0.000 1.410 200 W HN 0.289 nan 8.180 nan 0.000 0.528 201 V N 2.159 122.239 119.914 0.276 0.000 2.876 201 V HA 0.773 4.893 4.120 0.000 0.000 0.312 201 V C -0.934 174.830 176.094 -0.549 0.000 1.085 201 V CA -0.476 61.671 62.300 -0.255 0.000 0.945 201 V CB 2.221 33.704 31.823 -0.566 0.000 1.017 201 V HN 0.493 nan 8.190 nan 0.000 0.428 202 T N 5.636 119.600 114.554 -0.984 0.000 2.876 202 T HA 0.524 4.874 4.350 0.000 0.000 0.289 202 T C -0.425 173.738 174.700 -0.895 0.000 1.014 202 T CA -0.373 61.009 62.100 -1.198 0.000 0.986 202 T CB 1.128 68.996 68.868 -1.667 0.000 1.021 202 T HN 0.783 nan 8.240 nan 0.000 0.458 203 W N 2.354 123.490 121.300 -0.273 0.000 2.862 203 W HA 0.296 4.957 4.660 0.000 0.000 0.376 203 W C 0.330 176.778 176.519 -0.119 0.000 1.028 203 W CA -0.399 56.853 57.345 -0.155 0.000 1.757 203 W CB 0.313 29.714 29.460 -0.098 0.000 1.128 203 W HN 0.634 nan 8.180 nan 0.000 0.566 204 D N -0.423 119.967 120.400 -0.017 0.000 2.469 204 D HA 0.208 4.849 4.640 0.000 0.000 0.215 204 D C 1.734 178.044 176.300 0.015 0.000 1.154 204 D CA 0.599 54.596 54.000 -0.006 0.000 0.832 204 D CB 0.479 41.226 40.800 -0.087 0.000 1.008 204 D HN 0.110 nan 8.370 nan 0.000 0.506 205 G N 0.291 109.118 108.800 0.045 0.000 2.198 205 G HA2 -0.154 3.806 3.960 0.000 0.000 0.260 205 G HA3 -0.154 3.806 3.960 0.000 0.000 0.260 205 G C 1.110 176.203 174.900 0.320 0.000 1.025 205 G CA 0.454 45.681 45.100 0.213 0.000 0.769 205 G HN 0.938 nan 8.290 nan 0.000 0.507 206 G N -2.087 106.689 108.800 -0.040 0.000 2.176 206 G HA2 0.120 4.081 3.960 0.000 0.000 0.232 206 G HA3 0.120 4.081 3.960 0.000 0.000 0.232 206 G C 1.499 176.314 174.900 -0.143 0.000 0.986 206 G CA 1.180 46.166 45.100 -0.190 0.000 0.643 206 G HN 2.008 nan 8.290 nan 0.000 0.522 207 A N -0.217 122.525 122.820 -0.129 0.000 1.872 207 A HA 0.246 4.566 4.320 0.000 0.000 0.214 207 A C 1.155 178.684 177.584 -0.091 0.000 1.187 207 A CA 1.575 53.580 52.037 -0.053 0.000 0.614 207 A CB -0.092 18.900 19.000 -0.012 0.000 0.826 207 A HN 0.476 nan 8.150 nan 0.000 0.442 208 N N -2.077 116.481 118.700 -0.238 0.000 2.319 208 N HA 0.478 5.218 4.740 0.000 0.000 0.305 208 N C -1.819 173.408 175.510 -0.473 0.000 1.103 208 N CA -0.214 52.730 53.050 -0.176 0.000 0.815 208 N CB 1.456 39.912 38.487 -0.052 0.000 1.288 208 N HN 0.421 nan 8.380 nan 0.000 0.493 209 W N 0.187 121.461 121.300 -0.043 0.000 3.032 209 W HA 0.460 5.121 4.660 0.000 0.000 0.335 209 W C -0.274 176.356 176.519 0.185 0.000 1.154 209 W CA -0.430 56.915 57.345 -0.000 0.000 1.204 209 W CB 1.615 31.030 29.460 -0.075 0.000 1.416 209 W HN 0.446 nan 8.180 nan 0.000 0.521 210 S N 0.362 116.316 115.700 0.424 0.000 2.579 210 S HA 0.502 4.972 4.470 0.000 0.000 0.272 210 S C -1.107 173.443 174.600 -0.083 0.000 1.141 210 S CA -1.295 57.063 58.200 0.264 0.000 0.843 210 S CB 1.737 64.986 63.200 0.082 0.000 1.122 210 S HN 0.506 nan 8.310 nan 0.000 0.468 211 Q N 1.033 120.433 119.800 -0.667 0.000 2.337 211 Q HA 0.329 4.669 4.340 0.000 0.000 0.270 211 Q C -0.446 175.344 176.000 -0.350 0.000 1.002 211 Q CA -0.337 54.947 55.803 -0.865 0.000 0.888 211 Q CB 0.673 28.843 28.738 -0.945 0.000 1.222 211 Q HN 0.566 nan 8.270 nan 0.000 0.400 212 V N 3.074 122.841 119.914 -0.244 0.000 2.509 212 V HA -0.012 4.109 4.120 0.000 0.000 0.297 212 V C 0.972 177.030 176.094 -0.059 0.000 1.014 212 V CA 0.442 62.699 62.300 -0.072 0.000 1.127 212 V CB 0.049 31.848 31.823 -0.040 0.000 0.925 212 V HN 0.874 nan 8.190 nan 0.000 0.480 213 G N 3.620 112.459 108.800 0.066 0.000 2.380 213 G HA2 0.436 4.396 3.960 0.000 0.000 0.242 213 G HA3 0.436 4.396 3.960 0.000 0.000 0.242 213 G C 1.086 176.088 174.900 0.171 0.000 1.298 213 G CA 0.373 45.522 45.100 0.081 0.000 0.878 213 G HN 1.768 nan 8.290 nan 0.000 0.542 214 G N 1.035 109.810 108.800 -0.042 0.000 2.217 214 G HA2 -0.266 3.694 3.960 0.000 0.000 0.246 214 G HA3 -0.266 3.694 3.960 0.000 0.000 0.246 214 G C 0.647 174.953 174.900 -0.989 0.000 0.990 214 G CA 0.522 45.512 45.100 -0.184 0.000 0.627 214 G HN 1.293 nan 8.290 nan 0.000 0.522 215 Q N 1.452 120.545 119.800 -1.178 0.000 2.386 215 Q HA 0.454 4.794 4.340 0.000 0.000 0.282 215 Q C -2.250 172.967 176.000 -1.305 0.000 1.050 215 Q CA -0.953 53.734 55.803 -1.861 0.000 0.918 215 Q CB 0.260 28.337 28.738 -1.102 0.000 1.266 215 Q HN 0.321 nan 8.270 nan 0.000 0.423 216 P HA -0.039 nan 4.420 nan 0.000 0.267 216 P C -0.006 176.780 177.300 -0.857 0.000 1.209 216 P CA 0.107 62.523 63.100 -1.139 0.000 0.763 216 P CB 0.855 31.678 31.700 -1.461 0.000 0.816 217 T N -0.630 113.541 114.554 -0.639 0.000 3.054 217 T HA 0.129 4.480 4.350 0.000 0.000 0.255 217 T C 0.549 174.959 174.700 -0.482 0.000 1.035 217 T CA -0.103 61.690 62.100 -0.513 0.000 0.941 217 T CB -0.004 68.638 68.868 -0.376 0.000 1.026 217 T HN 0.604 nan 8.240 nan 0.000 0.533 218 Q N -0.739 118.759 119.800 -0.503 0.000 2.501 218 Q HA 0.538 4.878 4.340 0.000 0.000 0.288 218 Q C -1.568 174.170 176.000 -0.437 0.000 1.051 218 Q CA -1.433 54.120 55.803 -0.417 0.000 0.788 218 Q CB 0.753 29.369 28.738 -0.205 0.000 1.469 218 Q HN 0.369 nan 8.270 nan 0.000 0.416 219 W N 1.900 123.106 121.300 -0.157 0.000 2.181 219 W HA 0.268 4.928 4.660 0.000 0.000 0.335 219 W C 0.831 177.321 176.519 -0.048 0.000 1.310 219 W CA 0.073 57.355 57.345 -0.105 0.000 1.226 219 W CB 0.976 30.366 29.460 -0.118 0.000 1.155 219 W HN 0.660 nan 8.180 nan 0.000 0.565 220 S N 1.476 117.353 115.700 0.296 0.000 2.573 220 S HA -0.042 4.429 4.470 0.000 0.000 0.277 220 S C 0.827 175.564 174.600 0.227 0.000 1.346 220 S CA -0.261 58.076 58.200 0.229 0.000 1.034 220 S CB 0.988 64.295 63.200 0.178 0.000 0.879 220 S HN 0.547 nan 8.310 nan 0.000 0.528 221 D N 0.803 121.317 120.400 0.189 0.000 2.158 221 D HA -0.125 4.515 4.640 0.000 0.000 0.197 221 D C 1.256 177.665 176.300 0.181 0.000 0.995 221 D CA 1.521 55.611 54.000 0.150 0.000 0.846 221 D CB -0.425 40.457 40.800 0.137 0.000 0.941 221 D HN 0.860 nan 8.370 nan 0.000 0.456 222 W N 1.561 122.924 121.300 0.104 0.000 2.333 222 W HA -0.225 4.436 4.660 0.000 0.000 0.316 222 W C 2.265 178.848 176.519 0.107 0.000 1.215 222 W CA 2.233 59.648 57.345 0.117 0.000 1.278 222 W CB -0.693 28.872 29.460 0.174 0.000 1.154 222 W HN -0.176 nan 8.180 nan 0.000 0.486 223 T N 1.100 115.669 114.554 0.024 0.000 2.674 223 T HA -0.236 4.114 4.350 0.000 0.000 0.265 223 T C 1.704 176.194 174.700 -0.350 0.000 1.039 223 T CA 2.216 64.136 62.100 -0.300 0.000 1.150 223 T CB -0.351 68.539 68.868 0.036 0.000 0.864 223 T HN 0.134 nan 8.240 nan 0.000 0.427 224 K N 1.277 121.578 120.400 -0.164 0.000 2.103 224 K HA -0.113 4.208 4.320 0.000 0.000 0.207 224 K C 2.726 179.221 176.600 -0.175 0.000 1.048 224 K CA 1.613 57.795 56.287 -0.175 0.000 0.930 224 K CB -0.230 32.236 32.500 -0.057 0.000 0.716 224 K HN 0.429 nan 8.250 nan 0.000 0.444 225 S N 1.264 116.877 115.700 -0.146 0.000 2.402 225 S HA -0.152 4.319 4.470 0.000 0.000 0.229 225 S C 2.045 176.546 174.600 -0.164 0.000 1.021 225 S CA 1.202 59.331 58.200 -0.118 0.000 0.974 225 S CB -0.349 62.816 63.200 -0.058 0.000 0.800 225 S HN 0.410 nan 8.310 nan 0.000 0.484 226 I N 1.473 121.882 120.570 -0.270 0.000 2.584 226 I HA 0.122 4.292 4.170 0.000 0.000 0.255 226 I C 2.229 178.284 176.117 -0.103 0.000 1.145 226 I CA 0.953 62.130 61.300 -0.206 0.000 1.462 226 I CB -0.321 37.503 38.000 -0.295 0.000 1.102 226 I HN 0.219 nan 8.210 nan 0.000 0.433 227 V N 0.857 120.647 119.914 -0.207 0.000 2.594 227 V HA -0.095 4.025 4.120 0.000 0.000 0.253 227 V C 2.426 178.451 176.094 -0.114 0.000 1.069 227 V CA 1.809 63.992 62.300 -0.195 0.000 1.082 227 V CB -1.308 30.211 31.823 -0.506 0.000 0.680 227 V HN 0.481 nan 8.190 nan 0.000 0.469 228 A N 0.225 122.976 122.820 -0.115 0.000 1.903 228 A HA 0.387 4.707 4.320 0.000 0.000 0.213 228 A C 2.476 180.029 177.584 -0.051 0.000 1.185 228 A CA 1.508 53.499 52.037 -0.075 0.000 0.628 228 A CB -0.949 18.010 19.000 -0.069 0.000 0.830 228 A HN 0.947 nan 8.150 nan 0.000 0.446 229 A N 0.488 123.276 122.820 -0.053 0.000 1.930 229 A HA -0.066 4.254 4.320 0.000 0.000 0.217 229 A C 2.445 180.012 177.584 -0.028 0.000 1.175 229 A CA 2.212 54.227 52.037 -0.037 0.000 0.627 229 A CB -0.823 18.154 19.000 -0.037 0.000 0.815 229 A HN 0.933 nan 8.150 nan 0.000 0.443 230 S N -2.017 113.668 115.700 -0.026 0.000 2.461 230 S HA 0.315 4.785 4.470 0.000 0.000 0.228 230 S C 1.649 176.242 174.600 -0.012 0.000 1.005 230 S CA 1.227 59.418 58.200 -0.016 0.000 0.942 230 S CB -0.378 62.819 63.200 -0.005 0.000 0.776 230 S HN 1.904 nan 8.310 nan 0.000 0.514 231 G N 0.833 109.625 108.800 -0.013 0.000 2.205 231 G HA2 -0.267 3.693 3.960 0.000 0.000 0.261 231 G HA3 -0.267 3.693 3.960 0.000 0.000 0.261 231 G C 0.257 175.154 174.900 -0.004 0.000 0.980 231 G CA 0.593 45.685 45.100 -0.013 0.000 0.632 231 G HN 1.207 nan 8.290 nan 0.000 0.533 232 T N -0.270 114.294 114.554 0.017 0.000 2.771 232 T HA 0.786 5.136 4.350 0.000 0.000 0.281 232 T C 0.476 175.219 174.700 0.072 0.000 0.982 232 T CA 0.770 62.893 62.100 0.039 0.000 0.978 232 T CB 1.351 70.234 68.868 0.025 0.000 0.930 232 T HN 1.651 nan 8.240 nan 0.000 0.447 233 A N 4.795 127.632 122.820 0.029 0.000 2.407 233 A HA 0.605 4.926 4.320 0.000 0.000 0.248 233 A C 0.474 178.053 177.584 -0.008 0.000 1.082 233 A CA -0.708 51.312 52.037 -0.028 0.000 0.785 233 A CB -0.330 18.652 19.000 -0.030 0.000 1.020 233 A HN 0.962 nan 8.150 nan 0.000 0.489 234 I N -0.265 120.175 120.570 -0.217 0.000 2.823 234 I HA 0.216 4.386 4.170 0.000 0.000 0.290 234 I C 0.797 176.875 176.117 -0.065 0.000 1.091 234 I CA 0.142 61.269 61.300 -0.288 0.000 1.365 234 I CB 0.284 37.866 38.000 -0.696 0.000 1.427 234 I HN 0.722 nan 8.210 nan 0.000 0.583 235 Q N 1.946 121.761 119.800 0.025 0.000 2.247 235 Q HA 0.228 4.568 4.340 0.000 0.000 0.204 235 Q C -0.268 175.796 176.000 0.107 0.000 0.872 235 Q CA -0.133 55.709 55.803 0.064 0.000 0.951 235 Q CB 0.363 29.144 28.738 0.071 0.000 1.099 235 Q HN 0.884 nan 8.270 nan 0.000 0.501 236 S N -1.671 114.141 115.700 0.186 0.000 2.579 236 S HA 0.311 4.781 4.470 0.000 0.000 0.272 236 S C 0.497 175.307 174.600 0.350 0.000 1.141 236 S CA -0.442 57.903 58.200 0.241 0.000 0.843 236 S CB 1.459 64.823 63.200 0.274 0.000 1.122 236 S HN 0.076 nan 8.310 nan 0.000 0.468 237 S N 0.086 115.884 115.700 0.163 0.000 2.527 237 S HA 0.473 4.944 4.470 0.000 0.000 0.222 237 S C 0.860 175.428 174.600 -0.054 0.000 0.985 237 S CA 0.180 58.446 58.200 0.109 0.000 0.921 237 S CB -0.459 62.744 63.200 0.004 0.000 0.772 237 S HN 1.528 nan 8.310 nan 0.000 0.529 238 G N 0.758 109.382 108.800 -0.292 0.000 2.692 238 G HA2 0.591 4.551 3.960 0.000 0.000 0.291 238 G HA3 0.591 4.551 3.960 0.000 0.000 0.291 238 G C -3.606 170.576 174.900 -1.197 0.000 1.423 238 G CA -1.741 42.832 45.100 -0.880 0.000 0.843 238 G HN -0.051 nan 8.290 nan 0.000 0.486 239 P HA 0.236 nan 4.420 nan 0.000 0.265 239 P C -0.479 176.497 177.300 -0.539 0.000 1.187 239 P CA 0.125 62.362 63.100 -1.437 0.000 0.766 239 P CB 0.575 31.179 31.700 -1.826 0.000 0.820 240 L N 5.211 126.405 121.223 -0.048 0.000 2.325 240 L HA 0.427 4.767 4.340 0.000 0.000 0.281 240 L C -2.314 174.743 176.870 0.311 0.000 1.004 240 L CA -2.762 52.075 54.840 -0.005 0.000 0.823 240 L CB 1.835 43.732 42.059 -0.270 0.000 1.236 240 L HN 0.118 nan 8.230 nan 0.000 0.415 241 P HA 0.037 nan 4.420 nan 0.000 0.265 241 P C 0.177 177.647 177.300 0.284 0.000 1.193 241 P CA 0.047 63.260 63.100 0.189 0.000 0.765 241 P CB 1.012 32.792 31.700 0.133 0.000 0.823 242 I N 1.506 122.183 120.570 0.177 0.000 3.565 242 I HA 0.243 4.414 4.170 0.000 0.000 0.287 242 I C 0.856 177.033 176.117 0.101 0.000 1.193 242 I CA 1.121 62.516 61.300 0.159 0.000 1.402 242 I CB -0.423 37.682 38.000 0.176 0.000 1.284 242 I HN 0.368 nan 8.210 nan 0.000 0.454 243 K N 1.272 121.721 120.400 0.082 0.000 2.568 243 K HA 0.601 4.922 4.320 0.000 0.000 0.273 243 K C -1.657 174.988 176.600 0.075 0.000 0.951 243 K CA -0.533 55.805 56.287 0.086 0.000 0.854 243 K CB 2.968 35.534 32.500 0.110 0.000 1.424 243 K HN 0.099 nan 8.250 nan 0.000 0.427 244 I N -0.841 119.787 120.570 0.095 0.000 2.865 244 I HA 0.936 5.107 4.170 0.000 0.000 0.302 244 I C -1.483 174.711 176.117 0.129 0.000 1.140 244 I CA -0.934 60.427 61.300 0.102 0.000 1.021 244 I CB 2.410 40.461 38.000 0.085 0.000 1.233 244 I HN 0.679 nan 8.210 nan 0.000 0.427 245 A N 4.620 127.528 122.820 0.146 0.000 2.594 245 A HA 0.720 5.040 4.320 0.000 0.000 0.296 245 A C -1.802 175.879 177.584 0.162 0.000 1.061 245 A CA -0.552 51.584 52.037 0.165 0.000 0.689 245 A CB 1.681 20.794 19.000 0.189 0.000 1.280 245 A HN 0.758 nan 8.150 nan 0.000 0.406 246 L N 2.274 123.574 121.223 0.128 0.000 2.272 246 L HA 0.558 4.898 4.340 0.000 0.000 0.289 246 L C 1.181 178.137 176.870 0.145 0.000 1.032 246 L CA -0.419 54.470 54.840 0.083 0.000 0.810 246 L CB 1.579 43.686 42.059 0.080 0.000 1.205 246 L HN 0.991 nan 8.230 nan 0.000 0.422 247 G N 2.022 110.933 108.800 0.186 0.000 2.664 247 G HA2 0.057 4.017 3.960 0.000 0.000 0.242 247 G HA3 0.057 4.017 3.960 0.000 0.000 0.242 247 G C 0.553 175.512 174.900 0.098 0.000 1.225 247 G CA -0.392 44.826 45.100 0.197 0.000 0.849 247 G HN 0.730 nan 8.290 nan 0.000 0.581 248 K N 0.260 120.708 120.400 0.080 0.000 2.439 248 K HA -0.090 4.231 4.320 0.000 0.000 0.197 248 K C 1.879 178.502 176.600 0.039 0.000 1.041 248 K CA 0.963 57.282 56.287 0.054 0.000 0.970 248 K CB 0.089 32.612 32.500 0.038 0.000 0.773 248 K HN 0.601 nan 8.250 nan 0.000 0.479 249 N N 0.015 118.737 118.700 0.037 0.000 2.521 249 N HA -0.049 4.691 4.740 0.000 0.000 0.188 249 N C 1.131 176.630 175.510 -0.019 0.000 1.146 249 N CA 1.127 54.182 53.050 0.008 0.000 0.893 249 N CB 0.211 38.703 38.487 0.009 0.000 0.975 249 N HN 0.224 nan 8.380 nan 0.000 0.451 250 G N -0.191 108.602 108.800 -0.011 0.000 2.217 250 G HA2 -0.336 3.625 3.960 0.000 0.000 0.246 250 G HA3 -0.336 3.625 3.960 0.000 0.000 0.246 250 G C 0.167 174.994 174.900 -0.121 0.000 0.990 250 G CA 0.172 45.252 45.100 -0.034 0.000 0.627 250 G HN 0.641 nan 8.290 nan 0.000 0.522 251 R N 0.701 121.091 120.500 -0.184 0.000 2.490 251 R HA 0.599 4.939 4.340 0.000 0.000 0.280 251 R C 0.261 176.236 176.300 -0.541 0.000 1.077 251 R CA -0.515 55.346 56.100 -0.399 0.000 1.065 251 R CB 0.422 30.443 30.300 -0.465 0.000 1.003 251 R HN 0.221 nan 8.270 nan 0.000 0.470 252 L N 6.133 127.018 121.223 -0.562 0.000 2.272 252 L HA 0.398 4.738 4.340 0.000 0.000 0.289 252 L C -1.420 175.172 176.870 -0.464 0.000 1.032 252 L CA -0.477 54.099 54.840 -0.440 0.000 0.810 252 L CB 0.601 42.428 42.059 -0.388 0.000 1.205 252 L HN 0.677 nan 8.230 nan 0.000 0.422 253 Y N 5.361 125.661 120.300 -0.000 0.000 2.409 253 Y HA 0.596 5.146 4.550 0.001 0.000 0.339 253 Y C 0.143 176.079 175.900 0.061 0.000 1.033 253 Y CA -0.693 57.446 58.100 0.065 0.000 1.094 253 Y CB 2.120 40.630 38.460 0.085 0.000 1.210 253 Y HN 0.524 nan 8.280 nan 0.000 0.456 254 I N 2.429 123.141 120.570 0.237 0.000 2.571 254 I HA 0.451 4.621 4.170 0.000 0.000 0.289 254 I C -0.916 175.185 176.117 -0.026 0.000 1.115 254 I CA -0.464 60.855 61.300 0.032 0.000 1.045 254 I CB 1.683 39.619 38.000 -0.106 0.000 1.238 254 I HN 0.745 nan 8.210 nan 0.000 0.424 255 T N 3.225 117.760 114.554 -0.033 0.000 2.837 255 T HA 0.585 4.935 4.350 0.000 0.000 0.285 255 T C -0.880 173.816 174.700 -0.006 0.000 0.984 255 T CA -0.334 61.816 62.100 0.084 0.000 1.049 255 T CB 0.900 69.914 68.868 0.244 0.000 0.947 255 T HN 0.436 nan 8.240 nan 0.000 0.472 256 Y N 0.514 121.037 120.300 0.372 0.000 2.524 256 Y HA 0.679 5.230 4.550 0.000 0.000 0.344 256 Y C 0.615 176.796 175.900 0.469 0.000 1.012 256 Y CA -0.913 57.394 58.100 0.345 0.000 1.068 256 Y CB 2.771 41.395 38.460 0.273 0.000 1.249 256 Y HN 0.792 nan 8.280 nan 0.000 0.468 257 S N -0.165 115.902 115.700 0.611 0.000 2.732 257 S HA 0.150 4.621 4.470 0.000 0.000 0.293 257 S C -0.439 174.514 174.600 0.588 0.000 1.159 257 S CA -0.758 57.777 58.200 0.559 0.000 0.847 257 S CB 1.295 64.710 63.200 0.358 0.000 1.169 257 S HN 0.822 nan 8.310 nan 0.000 0.501 258 D N -0.391 120.292 120.400 0.470 0.000 2.369 258 D HA 0.445 5.085 4.640 0.000 0.000 0.211 258 D C 0.090 176.537 176.300 0.245 0.000 1.077 258 D CA -0.062 54.201 54.000 0.439 0.000 0.842 258 D CB 0.320 41.305 40.800 0.308 0.000 0.947 258 D HN 0.494 nan 8.370 nan 0.000 0.509 259 A N 0.805 123.751 122.820 0.211 0.000 2.609 259 A HA 0.564 4.884 4.320 0.000 0.000 0.291 259 A C -2.341 175.345 177.584 0.171 0.000 1.096 259 A CA -1.138 50.979 52.037 0.134 0.000 0.684 259 A CB 1.667 20.666 19.000 -0.002 0.000 1.282 259 A HN -0.157 nan 8.150 nan 0.000 0.412 260 P HA 0.143 nan 4.420 nan 0.000 0.221 260 P C 0.988 178.183 177.300 -0.175 0.000 1.150 260 P CA 1.821 64.837 63.100 -0.140 0.000 0.800 260 P CB 0.084 31.584 31.700 -0.335 0.000 0.787 261 G N 0.749 109.402 108.800 -0.245 0.000 2.698 261 G HA2 -0.161 3.799 3.960 0.000 0.000 0.225 261 G HA3 -0.161 3.799 3.960 0.000 0.000 0.225 261 G C -2.168 172.446 174.900 -0.478 0.000 1.345 261 G CA -0.006 44.887 45.100 -0.345 0.000 0.871 261 G HN 0.032 nan 8.290 nan 0.000 0.540 262 P HA 0.136 nan 4.420 nan 0.000 0.231 262 P C 0.716 177.458 177.300 -0.929 0.000 1.168 262 P CA 1.567 64.153 63.100 -0.858 0.000 0.779 262 P CB 0.037 30.911 31.700 -1.376 0.000 0.844 263 W N -1.420 119.513 121.300 -0.611 0.000 2.576 263 W HA 0.547 5.207 4.660 0.001 0.000 0.360 263 W C 0.481 176.950 176.519 -0.084 0.000 1.109 263 W CA -0.464 56.788 57.345 -0.156 0.000 1.237 263 W CB 0.290 29.812 29.460 0.104 0.000 1.369 263 W HN 0.229 nan 8.180 nan 0.000 0.609 264 G N -0.116 108.765 108.800 0.136 0.000 2.176 264 G HA2 -0.240 3.721 3.960 0.000 0.000 0.232 264 G HA3 -0.240 3.721 3.960 0.000 0.000 0.232 264 G C -0.436 174.421 174.900 -0.071 0.000 0.986 264 G CA -0.052 45.027 45.100 -0.036 0.000 0.643 264 G HN 0.547 nan 8.290 nan 0.000 0.522 265 V N 1.025 120.903 119.914 -0.060 0.000 2.834 265 V HA 0.609 4.729 4.120 0.000 0.000 0.301 265 V C 1.514 177.576 176.094 -0.052 0.000 1.066 265 V CA 0.505 62.788 62.300 -0.028 0.000 1.052 265 V CB 1.643 33.461 31.823 -0.009 0.000 1.021 265 V HN 0.251 nan 8.190 nan 0.000 0.480 266 L N 2.355 123.529 121.223 -0.083 0.000 2.953 266 L HA 0.372 4.712 4.340 0.000 0.000 0.258 266 L C -0.492 175.998 176.870 -0.634 0.000 1.100 266 L CA 0.180 54.833 54.840 -0.311 0.000 0.971 266 L CB 0.538 42.447 42.059 -0.250 0.000 1.474 266 L HN 0.536 nan 8.230 nan 0.000 0.540 267 Y N -0.661 119.583 120.300 -0.094 0.000 2.677 267 Y HA 0.740 5.291 4.550 0.001 0.000 0.334 267 Y C 0.326 176.289 175.900 0.105 0.000 1.154 267 Y CA -0.721 57.298 58.100 -0.135 0.000 1.070 267 Y CB 2.171 40.321 38.460 -0.516 0.000 1.294 267 Y HN -0.156 nan 8.280 nan 0.000 0.475 268 G N 0.511 109.623 108.800 0.519 0.000 2.325 268 G HA2 0.512 4.472 3.960 0.000 0.000 0.297 268 G HA3 0.512 4.472 3.960 0.000 0.000 0.297 268 G C -2.121 173.419 174.900 1.067 0.000 1.448 268 G CA -0.951 44.680 45.100 0.886 0.000 0.838 268 G HN 0.459 nan 8.290 nan 0.000 0.579 269 E N -1.466 119.315 120.200 0.967 0.000 2.429 269 E HA 0.614 4.965 4.350 0.000 0.000 0.276 269 E C -1.289 175.547 176.600 0.393 0.000 0.953 269 E CA -0.961 55.836 56.400 0.662 0.000 0.787 269 E CB 3.134 33.328 29.700 0.822 0.000 1.307 269 E HN 0.366 nan 8.360 nan 0.000 0.458 270 V N 1.425 121.321 119.914 -0.031 0.000 2.448 270 V HA 0.447 4.567 4.120 0.000 0.000 0.295 270 V C -1.202 175.016 176.094 0.206 0.000 1.025 270 V CA -0.741 61.575 62.300 0.028 0.000 0.859 270 V CB 0.682 32.274 31.823 -0.385 0.000 0.988 270 V HN 0.580 nan 8.190 nan 0.000 0.431 271 W N 1.958 123.454 121.300 0.327 0.000 2.799 271 W HA 0.743 5.404 4.660 0.000 0.000 0.349 271 W C 0.318 177.028 176.519 0.319 0.000 1.100 271 W CA -0.494 57.097 57.345 0.409 0.000 1.174 271 W CB 2.002 31.840 29.460 0.631 0.000 1.427 271 W HN 0.593 nan 8.180 nan 0.000 0.547 272 S N 0.922 116.915 115.700 0.488 0.000 2.568 272 S HA 0.760 5.230 4.470 0.000 0.000 0.302 272 S C -1.662 172.950 174.600 0.020 0.000 1.082 272 S CA -0.597 57.695 58.200 0.154 0.000 1.009 272 S CB 2.010 65.222 63.200 0.020 0.000 1.069 272 S HN 0.466 nan 8.310 nan 0.000 0.500 273 Y N 0.871 120.876 120.300 -0.492 0.000 2.492 273 Y HA 0.571 5.122 4.550 0.000 0.000 0.346 273 Y C -1.785 173.773 175.900 -0.571 0.000 0.997 273 Y CA -0.948 56.627 58.100 -0.874 0.000 1.025 273 Y CB 2.037 39.572 38.460 -1.543 0.000 1.263 273 Y HN 0.798 nan 8.280 nan 0.000 0.454 274 D N 7.373 127.055 120.400 -1.197 0.000 2.460 274 D HA 0.384 5.025 4.640 0.000 0.000 0.232 274 D C -2.284 173.384 176.300 -1.053 0.000 1.079 274 D CA -2.517 50.971 54.000 -0.854 0.000 0.864 274 D CB 2.113 42.623 40.800 -0.483 0.000 1.048 274 D HN 0.356 nan 8.370 nan 0.000 0.523 275 P HA -0.031 nan 4.420 nan 0.000 0.228 275 P C 1.105 178.310 177.300 -0.158 0.000 1.151 275 P CA 0.714 63.619 63.100 -0.325 0.000 0.770 275 P CB 0.480 32.209 31.700 0.049 0.000 0.786 276 T N -0.668 113.759 114.554 -0.212 0.000 3.014 276 T HA -0.012 4.338 4.350 0.000 0.000 0.263 276 T C 1.051 175.680 174.700 -0.118 0.000 1.078 276 T CA 1.295 63.318 62.100 -0.128 0.000 1.135 276 T CB -0.317 68.478 68.868 -0.122 0.000 0.895 276 T HN 0.265 nan 8.240 nan 0.000 0.480 277 N N -1.172 117.430 118.700 -0.163 0.000 1.997 277 N HA 0.206 4.946 4.740 0.000 0.000 0.225 277 N C 0.944 176.412 175.510 -0.070 0.000 1.383 277 N CA 0.582 53.574 53.050 -0.097 0.000 0.770 277 N CB -0.208 38.230 38.487 -0.081 0.000 1.178 277 N HN 0.234 nan 8.380 nan 0.000 0.515 278 G N 0.462 109.178 108.800 -0.140 0.000 2.155 278 G HA2 -0.335 3.626 3.960 0.000 0.000 0.257 278 G HA3 -0.335 3.626 3.960 0.000 0.000 0.257 278 G C -0.737 174.202 174.900 0.065 0.000 0.983 278 G CA 0.179 45.320 45.100 0.069 0.000 0.676 278 G HN 0.599 nan 8.290 nan 0.000 0.528 279 N N -0.258 118.355 118.700 -0.145 0.000 2.470 279 N HA 0.426 5.166 4.740 0.000 0.000 0.268 279 N C -0.330 175.136 175.510 -0.073 0.000 1.136 279 N CA -0.286 52.752 53.050 -0.021 0.000 0.961 279 N CB 0.454 38.920 38.487 -0.034 0.000 1.067 279 N HN 0.360 nan 8.380 nan 0.000 0.468 280 W N 2.122 123.581 121.300 0.264 0.000 2.417 280 W HA 0.400 5.060 4.660 0.000 0.000 0.317 280 W C 0.410 177.180 176.519 0.419 0.000 1.121 280 W CA -0.565 57.024 57.345 0.408 0.000 1.208 280 W CB 1.014 30.690 29.460 0.359 0.000 1.253 280 W HN 0.219 nan 8.180 nan 0.000 0.533 281 K N 2.521 123.284 120.400 0.605 0.000 2.378 281 K HA 0.219 4.539 4.320 0.000 0.000 0.252 281 K C -1.017 175.593 176.600 0.018 0.000 0.931 281 K CA -0.820 55.644 56.287 0.295 0.000 0.794 281 K CB 1.284 33.846 32.500 0.104 0.000 1.181 281 K HN 0.653 nan 8.250 nan 0.000 0.425 282 H N 5.631 124.239 119.070 -0.770 0.000 2.800 282 H HA 0.141 4.697 4.556 0.000 0.000 0.291 282 H C 0.191 175.151 175.328 -0.615 0.000 1.076 282 H CA -0.315 54.906 56.048 -1.379 0.000 1.452 282 H CB 0.760 29.686 29.762 -1.392 0.000 1.461 282 H HN 0.454 nan 8.280 nan 0.000 0.488 283 I N 4.115 124.330 120.570 -0.592 0.000 4.227 283 I HA -0.040 4.130 4.170 0.000 0.000 0.334 283 I C 0.673 176.555 176.117 -0.393 0.000 1.341 283 I CA 0.149 61.303 61.300 -0.244 0.000 1.123 283 I CB -0.043 37.999 38.000 0.070 0.000 1.097 283 I HN 0.542 nan 8.210 nan 0.000 0.399 284 T N 4.639 118.668 114.554 -0.875 0.000 2.709 284 T HA -0.025 4.326 4.350 0.000 0.000 0.269 284 T C -1.489 172.560 174.700 -1.085 0.000 1.008 284 T CA -0.363 61.067 62.100 -1.116 0.000 1.194 284 T CB 0.289 68.552 68.868 -1.009 0.000 0.986 284 T HN 0.094 nan 8.240 nan 0.000 0.508 285 P HA -0.041 nan 4.420 nan 0.000 0.221 285 P C 1.375 178.207 177.300 -0.779 0.000 1.150 285 P CA 0.544 62.779 63.100 -1.441 0.000 0.800 285 P CB 0.141 30.369 31.700 -2.452 0.000 0.787 286 S N -1.215 114.157 115.700 -0.547 0.000 2.577 286 S HA 0.071 4.541 4.470 0.000 0.000 0.219 286 S C 0.909 175.375 174.600 -0.224 0.000 0.962 286 S CA -0.698 57.405 58.200 -0.162 0.000 0.921 286 S CB -0.761 62.540 63.200 0.169 0.000 0.789 286 S HN 0.120 nan 8.310 nan 0.000 0.497 287 R N 1.492 121.577 120.500 -0.692 0.000 2.679 287 R HA 0.297 4.638 4.340 0.000 0.000 0.269 287 R C -0.681 175.326 176.300 -0.488 0.000 1.076 287 R CA -0.548 54.837 56.100 -1.193 0.000 1.160 287 R CB 0.179 29.444 30.300 -1.725 0.000 1.054 287 R HN 0.336 nan 8.270 nan 0.000 0.507 288 E N 0.189 120.225 120.200 -0.273 0.000 2.383 288 E HA 0.364 4.714 4.350 0.000 0.000 0.264 288 E C 0.565 177.105 176.600 -0.100 0.000 1.050 288 E CA -0.120 56.262 56.400 -0.031 0.000 0.896 288 E CB 0.914 30.688 29.700 0.124 0.000 0.982 288 E HN 0.880 nan 8.360 nan 0.000 0.424 289 G N 1.853 110.625 108.800 -0.047 0.000 3.700 289 G HA2 -0.231 3.729 3.960 0.000 0.000 0.211 289 G HA3 -0.231 3.729 3.960 0.000 0.000 0.211 289 G C 0.038 174.910 174.900 -0.047 0.000 1.777 289 G CA -0.313 44.759 45.100 -0.047 0.000 1.460 289 G HN 0.986 nan 8.290 nan 0.000 0.615 290 A N 1.275 124.042 122.820 -0.087 0.000 2.774 290 A HA 0.584 4.904 4.320 0.000 0.000 0.326 290 A C 0.746 178.350 177.584 0.032 0.000 1.478 290 A CA 0.704 52.715 52.037 -0.043 0.000 1.099 290 A CB -0.745 18.210 19.000 -0.075 0.000 1.148 290 A HN 1.475 nan 8.150 nan 0.000 0.519 291 N N 0.677 119.408 118.700 0.050 0.000 2.726 291 N HA -0.118 4.622 4.740 0.000 0.000 0.253 291 N C -0.535 175.080 175.510 0.174 0.000 1.059 291 N CA 1.590 54.692 53.050 0.086 0.000 0.701 291 N CB -1.667 36.841 38.487 0.035 0.000 0.899 291 N HN 0.566 nan 8.380 nan 0.000 0.548 292 T N 1.164 115.830 114.554 0.187 0.000 2.812 292 T HA 0.441 4.791 4.350 0.000 0.000 0.282 292 T C -0.729 174.114 174.700 0.237 0.000 0.990 292 T CA -0.435 61.819 62.100 0.258 0.000 0.960 292 T CB 1.572 70.564 68.868 0.206 0.000 0.948 292 T HN 0.270 nan 8.240 nan 0.000 0.438 293 Y N 4.725 125.109 120.300 0.139 0.000 2.376 293 Y HA 0.504 5.054 4.550 0.000 0.000 0.340 293 Y C -2.755 173.186 175.900 0.069 0.000 0.965 293 Y CA -2.506 55.645 58.100 0.085 0.000 1.078 293 Y CB 1.720 40.218 38.460 0.062 0.000 1.193 293 Y HN 0.427 nan 8.280 nan 0.000 0.452 294 P HA 0.130 nan 4.420 nan 0.000 0.271 294 P C -1.110 176.038 177.300 -0.254 0.000 1.233 294 P CA -0.042 62.566 63.100 -0.820 0.000 0.789 294 P CB 0.530 31.862 31.700 -0.613 0.000 0.951 295 A N 2.980 125.705 122.820 -0.158 0.000 2.540 295 A HA 0.266 4.587 4.320 0.000 0.000 0.239 295 A C -1.929 175.648 177.584 -0.012 0.000 1.061 295 A CA -0.739 51.284 52.037 -0.023 0.000 0.758 295 A CB -1.515 17.487 19.000 0.003 0.000 0.991 295 A HN 0.404 nan 8.150 nan 0.000 0.502 296 P HA 0.083 nan 4.420 nan 0.000 0.265 296 P C 1.104 178.433 177.300 0.049 0.000 1.193 296 P CA 0.150 63.285 63.100 0.060 0.000 0.765 296 P CB 0.304 32.049 31.700 0.075 0.000 0.823 297 T N 2.221 116.800 114.554 0.042 0.000 2.649 297 T HA -0.196 4.154 4.350 0.000 0.000 0.268 297 T C 1.491 176.226 174.700 0.059 0.000 1.036 297 T CA 2.093 64.214 62.100 0.035 0.000 1.157 297 T CB -1.146 67.737 68.868 0.025 0.000 0.861 297 T HN 0.827 nan 8.240 nan 0.000 0.445 298 G N 1.691 110.550 108.800 0.098 0.000 2.168 298 G HA2 -0.294 3.666 3.960 0.000 0.000 0.257 298 G HA3 -0.294 3.666 3.960 0.000 0.000 0.257 298 G C 0.105 175.066 174.900 0.103 0.000 0.997 298 G CA 0.308 45.488 45.100 0.132 0.000 0.708 298 G HN 0.651 nan 8.290 nan 0.000 0.520 299 N N 0.507 119.250 118.700 0.071 0.000 2.406 299 N HA 0.268 5.008 4.740 0.000 0.000 0.265 299 N C 1.285 176.812 175.510 0.028 0.000 1.203 299 N CA 0.093 53.166 53.050 0.039 0.000 0.945 299 N CB 0.308 38.807 38.487 0.020 0.000 1.165 299 N HN 0.436 nan 8.380 nan 0.000 0.485 300 K N 2.118 122.528 120.400 0.016 0.000 2.487 300 K HA 0.030 4.350 4.320 0.000 0.000 0.192 300 K C 0.813 177.395 176.600 -0.030 0.000 1.027 300 K CA 0.247 56.521 56.287 -0.021 0.000 1.054 300 K CB 0.426 32.910 32.500 -0.027 0.000 0.824 300 K HN 0.281 nan 8.250 nan 0.000 0.510 301 K N 0.383 120.772 120.400 -0.019 0.000 2.305 301 K HA 0.062 4.383 4.320 0.000 0.000 0.199 301 K C 0.348 176.928 176.600 -0.033 0.000 1.047 301 K CA 0.277 56.550 56.287 -0.022 0.000 0.976 301 K CB 0.463 32.954 32.500 -0.015 0.000 0.765 301 K HN -0.109 nan 8.250 nan 0.000 0.474 302 V N 1.238 121.127 119.914 -0.041 0.000 2.667 302 V HA 0.283 4.403 4.120 0.000 0.000 0.308 302 V C -0.643 175.387 176.094 -0.105 0.000 1.048 302 V CA -1.260 61.003 62.300 -0.062 0.000 0.928 302 V CB 1.774 33.566 31.823 -0.053 0.000 1.004 302 V HN 0.054 nan 8.190 nan 0.000 0.444 303 V N 5.361 125.176 119.914 -0.166 0.000 2.673 303 V HA 0.315 4.436 4.120 0.000 0.000 0.303 303 V C -1.330 174.590 176.094 -0.290 0.000 1.046 303 V CA -0.366 61.727 62.300 -0.347 0.000 1.126 303 V CB 0.545 32.090 31.823 -0.464 0.000 0.934 303 V HN 0.872 nan 8.190 nan 0.000 0.487 304 P HA 0.241 nan 4.420 nan 0.000 0.240 304 P C 0.886 178.081 177.300 -0.175 0.000 1.190 304 P CA 1.107 64.121 63.100 -0.142 0.000 0.781 304 P CB 0.011 31.716 31.700 0.007 0.000 0.931 305 G N -0.420 108.213 108.800 -0.278 0.000 2.752 305 G HA2 0.033 3.994 3.960 0.000 0.000 0.234 305 G HA3 0.033 3.994 3.960 0.000 0.000 0.234 305 G C 0.130 174.942 174.900 -0.147 0.000 1.367 305 G CA -0.565 44.408 45.100 -0.212 0.000 0.879 305 G HN 0.584 nan 8.290 nan 0.000 0.563 306 G N -2.274 106.442 108.800 -0.139 0.000 3.212 306 G HA2 0.678 4.638 3.960 0.000 0.000 0.188 306 G HA3 0.678 4.638 3.960 0.000 0.000 0.188 306 G C -1.377 173.305 174.900 -0.363 0.000 1.254 306 G CA -0.374 44.730 45.100 0.008 0.000 0.957 306 G HN 0.947 nan 8.290 nan 0.000 0.596 307 W N -1.107 120.315 121.300 0.202 0.000 2.915 307 W HA 0.647 5.307 4.660 0.001 0.000 0.337 307 W C 0.360 176.969 176.519 0.150 0.000 1.102 307 W CA -0.486 56.957 57.345 0.164 0.000 1.224 307 W CB 2.308 31.870 29.460 0.171 0.000 1.416 307 W HN 0.668 nan 8.180 nan 0.000 0.503 308 N N 0.192 119.079 118.700 0.312 0.000 3.419 308 N HA 0.280 5.020 4.740 0.000 0.000 0.224 308 N C 0.775 176.420 175.510 0.225 0.000 1.114 308 N CA 0.078 53.265 53.050 0.228 0.000 1.144 308 N CB 0.058 38.645 38.487 0.167 0.000 1.459 308 N HN 0.438 nan 8.380 nan 0.000 0.632 309 G N 0.740 109.672 108.800 0.220 0.000 2.491 309 G HA2 0.489 4.449 3.960 0.000 0.000 0.242 309 G HA3 0.489 4.449 3.960 0.000 0.000 0.242 309 G C -0.749 174.270 174.900 0.198 0.000 1.266 309 G CA 0.043 45.261 45.100 0.196 0.000 0.844 309 G HN 0.338 nan 8.290 nan 0.000 0.571 310 I N 0.231 120.900 120.570 0.164 0.000 2.607 310 I HA 0.427 4.597 4.170 0.000 0.000 0.290 310 I C -0.349 175.839 176.117 0.119 0.000 1.129 310 I CA -0.651 60.731 61.300 0.137 0.000 1.042 310 I CB 2.401 40.482 38.000 0.135 0.000 1.242 310 I HN 0.507 nan 8.210 nan 0.000 0.421 311 S N 4.548 120.304 115.700 0.094 0.000 2.540 311 S HA 0.826 5.296 4.470 0.000 0.000 0.275 311 S C -0.980 173.640 174.600 0.034 0.000 1.123 311 S CA -0.562 57.689 58.200 0.085 0.000 0.907 311 S CB 1.903 65.169 63.200 0.110 0.000 1.081 311 S HN 0.489 nan 8.310 nan 0.000 0.476 312 V N 1.848 121.786 119.914 0.041 0.000 2.715 312 V HA 1.071 5.191 4.120 0.000 0.000 0.310 312 V C 0.554 176.664 176.094 0.026 0.000 1.054 312 V CA -0.083 62.225 62.300 0.015 0.000 0.928 312 V CB 1.044 32.915 31.823 0.080 0.000 1.007 312 V HN 0.990 nan 8.190 nan 0.000 0.437 313 G N 2.177 110.983 108.800 0.011 0.000 3.247 313 G HA2 0.462 4.422 3.960 0.000 0.000 0.199 313 G HA3 0.462 4.422 3.960 0.000 0.000 0.199 313 G C -0.625 174.272 174.900 -0.005 0.000 1.172 313 G CA -0.575 44.525 45.100 0.000 0.000 0.844 313 G HN 0.993 nan 8.290 nan 0.000 0.619 314 N N 0.008 118.698 118.700 -0.016 0.000 2.493 314 N HA 0.501 5.242 4.740 0.000 0.000 0.275 314 N C 0.982 176.486 175.510 -0.010 0.000 1.186 314 N CA 0.604 53.644 53.050 -0.017 0.000 0.978 314 N CB 0.755 39.226 38.487 -0.027 0.000 1.184 314 N HN 1.630 nan 8.380 nan 0.000 0.487 315 G N 0.860 109.656 108.800 -0.007 0.000 2.596 315 G HA2 -0.312 3.648 3.960 0.000 0.000 0.304 315 G HA3 -0.312 3.648 3.960 0.000 0.000 0.304 315 G C -0.306 174.595 174.900 0.001 0.000 1.189 315 G CA 0.644 45.739 45.100 -0.008 0.000 0.986 315 G HN 0.700 nan 8.290 nan 0.000 0.548 316 D N 1.433 121.828 120.400 -0.009 0.000 2.501 316 D HA 0.262 4.902 4.640 0.000 0.000 0.226 316 D C 0.462 176.747 176.300 -0.025 0.000 1.198 316 D CA 0.405 54.407 54.000 0.003 0.000 0.830 316 D CB 0.238 41.026 40.800 -0.020 0.000 1.014 316 D HN 0.320 nan 8.370 nan 0.000 0.496 317 T N 1.129 115.665 114.554 -0.031 0.000 2.853 317 T HA 0.198 4.549 4.350 0.000 0.000 0.298 317 T C 0.052 174.702 174.700 -0.084 0.000 0.978 317 T CA 0.167 62.236 62.100 -0.053 0.000 1.152 317 T CB 1.721 70.576 68.868 -0.022 0.000 0.914 317 T HN -0.095 nan 8.240 nan 0.000 0.539 318 V N 4.398 124.222 119.914 -0.149 0.000 3.012 318 V HA 0.768 4.888 4.120 0.000 0.000 0.307 318 V C -1.222 174.870 176.094 -0.002 0.000 1.166 318 V CA -0.630 61.542 62.300 -0.213 0.000 0.974 318 V CB 2.451 33.853 31.823 -0.703 0.000 1.040 318 V HN 0.649 nan 8.190 nan 0.000 0.428 319 V N 6.367 126.328 119.914 0.079 0.000 2.656 319 V HA 0.881 5.001 4.120 0.000 0.000 0.307 319 V C -0.616 175.618 176.094 0.234 0.000 1.051 319 V CA 0.271 62.714 62.300 0.238 0.000 0.893 319 V CB 2.157 34.100 31.823 0.200 0.000 0.999 319 V HN 1.336 nan 8.190 nan 0.000 0.426 320 V N 2.903 122.997 119.914 0.301 0.000 3.130 320 V HA 1.011 5.131 4.120 0.000 0.000 0.310 320 V C -0.572 175.731 176.094 0.348 0.000 1.158 320 V CA -0.337 62.117 62.300 0.256 0.000 1.029 320 V CB 2.107 34.021 31.823 0.152 0.000 1.057 320 V HN 1.097 nan 8.190 nan 0.000 0.436 321 S N 0.405 116.330 115.700 0.374 0.000 2.570 321 S HA 0.783 5.253 4.470 0.000 0.000 0.286 321 S C -0.054 174.670 174.600 0.207 0.000 1.099 321 S CA -0.033 58.348 58.200 0.302 0.000 0.913 321 S CB 1.565 64.880 63.200 0.191 0.000 1.085 321 S HN 1.886 nan 8.310 nan 0.000 0.480 322 T N 0.083 114.563 114.554 -0.123 0.000 2.754 322 T HA 0.576 4.926 4.350 0.000 0.000 0.286 322 T C -0.155 174.418 174.700 -0.211 0.000 0.997 322 T CA -0.823 60.935 62.100 -0.570 0.000 0.982 322 T CB 0.260 68.763 68.868 -0.609 0.000 1.027 322 T HN 0.770 nan 8.240 nan 0.000 0.529 323 L N 1.118 122.191 121.223 -0.249 0.000 2.482 323 L HA 0.315 4.655 4.340 0.000 0.000 0.269 323 L C -0.973 175.863 176.870 -0.056 0.000 0.967 323 L CA -0.440 54.365 54.840 -0.058 0.000 0.851 323 L CB 1.372 43.423 42.059 -0.012 0.000 1.242 323 L HN 0.893 nan 8.230 nan 0.000 0.404 324 D N 2.789 123.223 120.400 0.057 0.000 2.870 324 D HA -0.193 4.447 4.640 0.000 0.000 0.228 324 D C 0.846 177.133 176.300 -0.022 0.000 1.147 324 D CA 1.216 55.259 54.000 0.072 0.000 0.757 324 D CB -0.700 40.129 40.800 0.048 0.000 1.091 324 D HN 0.644 nan 8.370 nan 0.000 0.429 325 A N 0.119 122.903 122.820 -0.060 0.000 2.327 325 A HA 0.019 4.339 4.320 0.000 0.000 0.228 325 A C 0.775 178.332 177.584 -0.045 0.000 1.275 325 A CA -0.306 51.671 52.037 -0.101 0.000 0.875 325 A CB -0.165 18.730 19.000 -0.175 0.000 0.925 325 A HN 0.339 nan 8.150 nan 0.000 0.493 326 N N 0.843 119.544 118.700 0.002 0.000 2.047 326 N HA -0.012 4.729 4.740 0.000 0.000 0.292 326 N C 1.128 176.630 175.510 -0.014 0.000 1.356 326 N CA 1.254 54.318 53.050 0.024 0.000 0.836 326 N CB 0.200 38.697 38.487 0.017 0.000 1.113 326 N HN 0.652 nan 8.380 nan 0.000 0.495 327 G N 2.403 111.199 108.800 -0.007 0.000 2.799 327 G HA2 -0.228 3.733 3.960 0.000 0.000 0.200 327 G HA3 -0.228 3.733 3.960 0.000 0.000 0.200 327 G C 0.581 175.457 174.900 -0.041 0.000 1.206 327 G CA -0.423 44.661 45.100 -0.027 0.000 0.827 327 G HN 0.492 nan 8.290 nan 0.000 0.511 328 E N 1.777 121.950 120.200 -0.044 0.000 2.479 328 E HA 0.144 4.494 4.350 0.000 0.000 0.193 328 E C -0.119 176.438 176.600 -0.072 0.000 1.049 328 E CA -0.141 56.226 56.400 -0.055 0.000 0.870 328 E CB 0.101 29.785 29.700 -0.027 0.000 0.944 328 E HN 0.486 nan 8.360 nan 0.000 0.492 329 D N 1.432 121.806 120.400 -0.043 0.000 2.531 329 D HA 0.059 4.700 4.640 0.000 0.000 0.239 329 D C -0.156 176.109 176.300 -0.058 0.000 1.144 329 D CA 0.712 54.699 54.000 -0.022 0.000 0.869 329 D CB 0.695 41.547 40.800 0.087 0.000 1.160 329 D HN -0.133 nan 8.370 nan 0.000 0.484 330 S N 1.038 116.685 115.700 -0.087 0.000 2.587 330 S HA 0.507 4.978 4.470 0.000 0.000 0.269 330 S C -1.436 173.096 174.600 -0.113 0.000 1.154 330 S CA -0.781 57.278 58.200 -0.235 0.000 0.824 330 S CB 1.112 64.018 63.200 -0.491 0.000 1.118 330 S HN 0.058 nan 8.310 nan 0.000 0.462 331 V N 3.020 122.811 119.914 -0.204 0.000 2.581 331 V HA 0.617 4.737 4.120 0.000 0.000 0.303 331 V C -1.451 174.575 176.094 -0.114 0.000 1.041 331 V CA -0.405 61.888 62.300 -0.011 0.000 0.907 331 V CB 1.257 33.092 31.823 0.020 0.000 0.994 331 V HN 0.837 nan 8.190 nan 0.000 0.442 332 Y N 3.754 124.121 120.300 0.111 0.000 2.446 332 Y HA 0.722 5.272 4.550 0.001 0.000 0.345 332 Y C -0.364 175.759 175.900 0.371 0.000 0.984 332 Y CA -0.873 57.322 58.100 0.158 0.000 1.058 332 Y CB 2.009 40.399 38.460 -0.116 0.000 1.220 332 Y HN 0.529 nan 8.280 nan 0.000 0.455 333 L N 2.391 123.951 121.223 0.561 0.000 2.341 333 L HA 0.788 5.129 4.340 0.000 0.000 0.278 333 L C -0.584 176.480 176.870 0.323 0.000 1.005 333 L CA -0.129 54.950 54.840 0.398 0.000 0.818 333 L CB 1.760 43.954 42.059 0.226 0.000 1.259 333 L HN 0.545 nan 8.230 nan 0.000 0.418 334 S N 3.906 119.617 115.700 0.018 0.000 2.536 334 S HA 0.650 5.120 4.470 0.000 0.000 0.287 334 S C 0.015 174.488 174.600 -0.212 0.000 1.101 334 S CA -0.741 57.253 58.200 -0.342 0.000 0.950 334 S CB 1.261 63.816 63.200 -1.075 0.000 1.056 334 S HN 0.697 nan 8.310 nan 0.000 0.481 335 R N 2.292 122.684 120.500 -0.179 0.000 2.546 335 R HA 0.318 4.659 4.340 0.000 0.000 0.320 335 R C -0.535 175.688 176.300 -0.128 0.000 1.021 335 R CA -0.023 56.009 56.100 -0.112 0.000 1.088 335 R CB -0.081 30.177 30.300 -0.071 0.000 1.278 335 R HN 0.597 nan 8.270 nan 0.000 0.557 336 D N -0.520 119.760 120.400 -0.201 0.000 2.525 336 D HA 0.213 4.853 4.640 0.000 0.000 0.231 336 D C 0.317 176.508 176.300 -0.182 0.000 1.216 336 D CA 0.418 54.297 54.000 -0.201 0.000 0.813 336 D CB 0.763 41.389 40.800 -0.289 0.000 1.108 336 D HN 0.058 nan 8.370 nan 0.000 0.524 337 A N -0.116 122.617 122.820 -0.145 0.000 2.826 337 A HA -0.015 4.305 4.320 0.000 0.000 0.274 337 A C 1.596 179.130 177.584 -0.082 0.000 1.443 337 A CA 1.751 53.798 52.037 0.017 0.000 0.833 337 A CB -1.999 17.033 19.000 0.054 0.000 1.023 337 A HN 1.035 nan 8.150 nan 0.000 0.600 338 G N -2.056 106.460 108.800 -0.474 0.000 2.176 338 G HA2 -0.281 3.680 3.960 0.000 0.000 0.232 338 G HA3 -0.281 3.680 3.960 0.000 0.000 0.232 338 G C 0.490 175.102 174.900 -0.481 0.000 0.986 338 G CA 0.862 45.565 45.100 -0.661 0.000 0.643 338 G HN 1.154 nan 8.290 nan 0.000 0.522 339 N N 0.453 118.931 118.700 -0.370 0.000 2.396 339 N HA 0.214 4.955 4.740 0.000 0.000 0.180 339 N C 0.979 176.338 175.510 -0.252 0.000 1.028 339 N CA 1.574 54.483 53.050 -0.235 0.000 0.893 339 N CB 0.105 38.499 38.487 -0.155 0.000 0.967 339 N HN 1.002 nan 8.380 nan 0.000 0.440 340 S N -2.400 113.034 115.700 -0.445 0.000 2.567 340 S HA 0.623 5.093 4.470 0.000 0.000 0.270 340 S C -1.913 172.427 174.600 -0.432 0.000 1.152 340 S CA -1.075 56.964 58.200 -0.268 0.000 0.835 340 S CB 0.834 63.968 63.200 -0.109 0.000 1.115 340 S HN 0.191 nan 8.310 nan 0.000 0.459 341 W N 0.297 121.622 121.300 0.041 0.000 3.213 341 W HA 0.618 5.279 4.660 0.000 0.000 0.318 341 W C -0.964 175.645 176.519 0.150 0.000 1.248 341 W CA -0.695 56.710 57.345 0.099 0.000 1.187 341 W CB 1.615 31.159 29.460 0.141 0.000 1.403 341 W HN 0.504 nan 8.180 nan 0.000 0.556 342 K N 1.770 122.429 120.400 0.431 0.000 2.182 342 K HA 0.231 4.551 4.320 0.000 0.000 0.262 342 K C -1.082 175.654 176.600 0.226 0.000 0.957 342 K CA -0.798 55.674 56.287 0.310 0.000 0.842 342 K CB 1.907 34.539 32.500 0.221 0.000 1.099 342 K HN 0.392 nan 8.250 nan 0.000 0.438 343 D N 4.244 124.670 120.400 0.043 0.000 2.441 343 D HA 0.118 4.758 4.640 0.000 0.000 0.221 343 D C 1.029 177.131 176.300 -0.330 0.000 1.156 343 D CA -0.254 53.527 54.000 -0.365 0.000 0.896 343 D CB 0.463 41.079 40.800 -0.306 0.000 1.028 343 D HN 0.403 nan 8.370 nan 0.000 0.509 344 L N 2.801 123.839 121.223 -0.307 0.000 2.083 344 L HA -0.040 4.300 4.340 0.000 0.000 0.209 344 L C 2.418 179.039 176.870 -0.414 0.000 1.083 344 L CA 1.225 55.997 54.840 -0.113 0.000 0.752 344 L CB -0.379 41.788 42.059 0.179 0.000 0.899 344 L HN 0.436 nan 8.230 nan 0.000 0.433 345 G N 0.210 108.477 108.800 -0.889 0.000 2.453 345 G HA2 -0.234 3.726 3.960 0.000 0.000 0.215 345 G HA3 -0.234 3.726 3.960 0.000 0.000 0.215 345 G C 1.699 176.137 174.900 -0.769 0.000 1.201 345 G CA 0.505 44.736 45.100 -1.449 0.000 0.784 345 G HN 0.254 nan 8.290 nan 0.000 0.545 346 K N -0.164 119.935 120.400 -0.502 0.000 2.063 346 K HA 0.057 4.377 4.320 0.000 0.000 0.208 346 K C 2.565 179.034 176.600 -0.218 0.000 1.048 346 K CA 0.753 56.853 56.287 -0.311 0.000 0.928 346 K CB -0.344 31.998 32.500 -0.262 0.000 0.713 346 K HN 0.243 nan 8.250 nan 0.000 0.442 347 L N 0.553 121.670 121.223 -0.177 0.000 2.127 347 L HA -0.206 4.135 4.340 0.000 0.000 0.211 347 L C 2.678 179.551 176.870 0.006 0.000 1.089 347 L CA 1.686 56.498 54.840 -0.047 0.000 0.757 347 L CB -0.562 41.516 42.059 0.031 0.000 0.899 347 L HN 0.379 nan 8.230 nan 0.000 0.434 348 T N -3.363 111.186 114.554 -0.007 0.000 3.065 348 T HA -0.009 4.341 4.350 0.000 0.000 0.252 348 T C 0.872 175.574 174.700 0.004 0.000 1.099 348 T CA -0.028 62.126 62.100 0.089 0.000 1.063 348 T CB -0.242 68.802 68.868 0.293 0.000 0.948 348 T HN 0.085 nan 8.240 nan 0.000 0.506 349 T N 5.087 119.590 114.554 -0.085 0.000 2.751 349 T HA 0.321 4.671 4.350 0.000 0.000 0.290 349 T C -2.489 172.191 174.700 -0.033 0.000 0.919 349 T CA -0.820 61.234 62.100 -0.076 0.000 1.136 349 T CB 0.823 69.615 68.868 -0.128 0.000 0.875 349 T HN 0.310 nan 8.240 nan 0.000 0.532 350 P HA 0.176 nan 4.420 nan 0.000 0.265 350 P C -0.231 177.064 177.300 -0.007 0.000 1.187 350 P CA -0.331 62.771 63.100 0.004 0.000 0.766 350 P CB 0.298 32.006 31.700 0.014 0.000 0.820 351 A N 3.289 126.108 122.820 -0.002 0.000 2.598 351 A HA 0.335 4.655 4.320 0.000 0.000 0.239 351 A C 1.458 179.038 177.584 -0.006 0.000 1.032 351 A CA 0.815 52.849 52.037 -0.006 0.000 0.760 351 A CB -1.385 17.617 19.000 0.002 0.000 0.946 351 A HN 0.980 nan 8.150 nan 0.000 0.512 352 G N 0.541 109.335 108.800 -0.011 0.000 2.182 352 G HA2 0.245 4.205 3.960 0.000 0.000 0.248 352 G HA3 0.245 4.205 3.960 0.000 0.000 0.248 352 G C 0.222 175.115 174.900 -0.012 0.000 1.042 352 G CA 0.389 45.483 45.100 -0.010 0.000 0.775 352 G HN 2.328 nan 8.290 nan 0.000 0.501 353 A N -0.540 122.269 122.820 -0.019 0.000 2.331 353 A HA 0.889 5.209 4.320 0.000 0.000 0.320 353 A C 1.376 178.942 177.584 -0.030 0.000 1.138 353 A CA 0.661 52.685 52.037 -0.021 0.000 0.790 353 A CB 1.198 20.186 19.000 -0.020 0.000 1.206 353 A HN 1.472 nan 8.150 nan 0.000 0.470 354 G N 2.382 111.166 108.800 -0.027 0.000 2.736 354 G HA2 0.224 4.184 3.960 0.000 0.000 0.214 354 G HA3 0.224 4.184 3.960 0.000 0.000 0.214 354 G C 0.957 175.832 174.900 -0.040 0.000 1.327 354 G CA 0.865 45.946 45.100 -0.032 0.000 0.818 354 G HN 1.317 nan 8.290 nan 0.000 0.611 355 G N -0.213 108.564 108.800 -0.038 0.000 2.569 355 G HA2 0.347 4.307 3.960 0.000 0.000 0.249 355 G HA3 0.347 4.307 3.960 0.000 0.000 0.249 355 G C -0.164 174.703 174.900 -0.054 0.000 1.216 355 G CA -0.542 44.533 45.100 -0.042 0.000 0.845 355 G HN 0.329 nan 8.290 nan 0.000 0.568 356 N N -0.016 118.634 118.700 -0.084 0.000 2.412 356 N HA 0.212 4.953 4.740 0.000 0.000 0.258 356 N C 0.392 175.890 175.510 -0.020 0.000 1.236 356 N CA 0.440 53.403 53.050 -0.145 0.000 0.882 356 N CB 1.094 39.397 38.487 -0.307 0.000 1.066 356 N HN 0.672 nan 8.380 nan 0.000 0.465 357 S N 1.127 116.814 115.700 -0.022 0.000 2.588 357 S HA 0.462 4.932 4.470 0.000 0.000 0.275 357 S C -0.925 173.687 174.600 0.019 0.000 1.130 357 S CA -1.040 57.181 58.200 0.034 0.000 0.855 357 S CB 2.414 65.620 63.200 0.009 0.000 1.116 357 S HN 0.363 nan 8.310 nan 0.000 0.472 358 Q N 0.849 120.611 119.800 -0.063 0.000 2.248 358 Q HA 0.436 4.776 4.340 0.000 0.000 0.263 358 Q C -0.675 175.313 176.000 -0.020 0.000 1.007 358 Q CA -0.803 54.899 55.803 -0.169 0.000 0.877 358 Q CB 1.655 30.025 28.738 -0.613 0.000 1.315 358 Q HN 0.634 nan 8.270 nan 0.000 0.454 359 K N 1.396 121.810 120.400 0.024 0.000 2.401 359 K HA -0.037 4.283 4.320 0.000 0.000 0.278 359 K C 1.028 177.693 176.600 0.109 0.000 1.018 359 K CA 0.035 56.364 56.287 0.071 0.000 0.981 359 K CB 0.738 33.291 32.500 0.088 0.000 0.933 359 K HN 0.651 nan 8.250 nan 0.000 0.477 360 E N 1.788 122.044 120.200 0.092 0.000 2.118 360 E HA -0.216 4.134 4.350 0.000 0.000 0.195 360 E C 1.385 178.041 176.600 0.093 0.000 0.992 360 E CA 1.766 58.222 56.400 0.093 0.000 0.804 360 E CB 0.141 29.878 29.700 0.062 0.000 0.741 360 E HN 0.668 nan 8.360 nan 0.000 0.458 361 S N 0.062 115.814 115.700 0.087 0.000 2.507 361 S HA -0.113 4.358 4.470 0.000 0.000 0.235 361 S C 1.104 175.779 174.600 0.124 0.000 0.988 361 S CA 1.102 59.353 58.200 0.085 0.000 0.944 361 S CB 0.054 63.297 63.200 0.071 0.000 0.762 361 S HN 0.214 nan 8.310 nan 0.000 0.526 362 D N 1.785 122.292 120.400 0.178 0.000 2.350 362 D HA 0.300 4.940 4.640 0.000 0.000 0.213 362 D C 0.703 177.214 176.300 0.351 0.000 1.031 362 D CA 0.444 54.608 54.000 0.274 0.000 0.861 362 D CB 0.099 41.087 40.800 0.313 0.000 0.926 362 D HN 0.542 nan 8.370 nan 0.000 0.520 363 A N 1.799 124.772 122.820 0.255 0.000 3.048 363 A HA 0.268 4.588 4.320 0.000 0.000 0.264 363 A C 0.300 177.847 177.584 -0.061 0.000 1.796 363 A CA -0.073 52.043 52.037 0.131 0.000 1.445 363 A CB -0.873 18.184 19.000 0.094 0.000 1.074 363 A HN 0.129 nan 8.150 nan 0.000 0.621 364 K N 0.570 120.948 120.400 -0.037 0.000 2.568 364 K HA 0.620 4.940 4.320 0.000 0.000 0.273 364 K C -1.106 175.513 176.600 0.031 0.000 0.951 364 K CA -1.004 55.267 56.287 -0.027 0.000 0.854 364 K CB 0.846 33.359 32.500 0.023 0.000 1.424 364 K HN 0.139 nan 8.250 nan 0.000 0.427 365 L N 1.352 122.595 121.223 0.033 0.000 2.474 365 L HA 0.245 4.585 4.340 0.000 0.000 0.259 365 L C 2.003 178.930 176.870 0.095 0.000 1.232 365 L CA -0.397 54.512 54.840 0.115 0.000 0.821 365 L CB 0.085 42.212 42.059 0.112 0.000 1.108 365 L HN 0.761 nan 8.230 nan 0.000 0.495 366 R N 0.932 121.459 120.500 0.045 0.000 2.120 366 R HA -0.155 4.185 4.340 0.000 0.000 0.234 366 R C 1.719 177.906 176.300 -0.188 0.000 1.123 366 R CA 1.597 57.535 56.100 -0.270 0.000 0.975 366 R CB -0.133 29.756 30.300 -0.684 0.000 0.866 366 R HN 0.831 nan 8.270 nan 0.000 0.446 367 N N -0.772 117.866 118.700 -0.103 0.000 2.521 367 N HA 0.009 4.750 4.740 0.000 0.000 0.188 367 N C 0.908 176.394 175.510 -0.041 0.000 1.146 367 N CA 1.144 54.142 53.050 -0.087 0.000 0.893 367 N CB 0.539 38.993 38.487 -0.055 0.000 0.975 367 N HN 0.319 nan 8.380 nan 0.000 0.451 368 G N -0.896 107.894 108.800 -0.016 0.000 2.194 368 G HA2 -0.268 3.692 3.960 0.000 0.000 0.236 368 G HA3 -0.268 3.692 3.960 0.000 0.000 0.236 368 G C 0.133 175.037 174.900 0.006 0.000 0.987 368 G CA 0.323 45.424 45.100 0.002 0.000 0.635 368 G HN 0.813 nan 8.290 nan 0.000 0.520 369 T N 2.340 116.899 114.554 0.008 0.000 2.834 369 T HA 0.555 4.905 4.350 0.000 0.000 0.298 369 T C -1.503 173.188 174.700 -0.015 0.000 0.966 369 T CA -0.581 61.522 62.100 0.004 0.000 1.141 369 T CB 1.663 70.540 68.868 0.015 0.000 0.905 369 T HN 0.245 nan 8.240 nan 0.000 0.535 370 P HA 0.320 nan 4.420 nan 0.000 0.276 370 P C -0.861 176.361 177.300 -0.131 0.000 1.252 370 P CA -0.729 62.329 63.100 -0.070 0.000 0.802 370 P CB 0.650 32.318 31.700 -0.053 0.000 1.035 371 L N 2.949 124.019 121.223 -0.255 0.000 2.435 371 L HA 0.334 4.674 4.340 0.000 0.000 0.253 371 L C -1.668 174.884 176.870 -0.531 0.000 1.087 371 L CA -1.561 52.987 54.840 -0.486 0.000 0.950 371 L CB 0.999 42.594 42.059 -0.774 0.000 1.304 371 L HN 0.234 nan 8.230 nan 0.000 0.453 372 P HA -0.184 nan 4.420 nan 0.000 0.218 372 P C 1.388 178.583 177.300 -0.176 0.000 1.148 372 P CA 1.139 64.138 63.100 -0.168 0.000 0.822 372 P CB -0.048 31.615 31.700 -0.063 0.000 0.784 373 W N -0.689 120.518 121.300 -0.156 0.000 2.525 373 W HA -0.006 4.654 4.660 0.000 0.000 0.259 373 W C 1.004 177.292 176.519 -0.385 0.000 1.253 373 W CA -0.076 57.109 57.345 -0.266 0.000 1.262 373 W CB -1.381 27.906 29.460 -0.289 0.000 1.122 373 W HN -0.102 nan 8.180 nan 0.000 0.607 374 L N 2.303 123.150 121.223 -0.627 0.000 2.456 374 L HA -0.059 4.281 4.340 0.000 0.000 0.224 374 L C 2.243 179.142 176.870 0.049 0.000 1.148 374 L CA 1.647 56.230 54.840 -0.428 0.000 0.825 374 L CB -0.589 41.103 42.059 -0.611 0.000 0.937 374 L HN -0.168 nan 8.230 nan 0.000 0.450 375 S N -0.994 114.708 115.700 0.003 0.000 2.461 375 S HA 0.050 4.520 4.470 0.000 0.000 0.228 375 S C 0.753 175.526 174.600 0.288 0.000 1.005 375 S CA 0.565 58.850 58.200 0.142 0.000 0.942 375 S CB -0.318 62.915 63.200 0.054 0.000 0.776 375 S HN 0.437 nan 8.310 nan 0.000 0.514 376 F N 0.671 120.680 119.950 0.099 0.000 2.271 376 F HA -0.408 4.119 4.527 0.000 0.000 0.306 376 F C 2.019 177.842 175.800 0.039 0.000 1.484 376 F CA 1.644 59.697 58.000 0.089 0.000 1.166 376 F CB -1.087 37.943 39.000 0.050 0.000 3.762 376 F HN 0.209 nan 8.300 nan 0.000 0.149 377 Q N 1.330 121.262 119.800 0.220 0.000 2.451 377 Q HA 0.026 4.366 4.340 0.000 0.000 0.206 377 Q C 0.069 176.098 176.000 0.048 0.000 0.947 377 Q CA 1.443 57.302 55.803 0.093 0.000 0.937 377 Q CB -0.279 28.478 28.738 0.031 0.000 1.025 377 Q HN 0.672 nan 8.270 nan 0.000 0.511 378 N N 1.754 120.488 118.700 0.056 0.000 2.546 378 N HA 0.106 4.846 4.740 0.000 0.000 0.286 378 N C -0.613 174.923 175.510 0.044 0.000 1.259 378 N CA -0.159 52.910 53.050 0.033 0.000 0.939 378 N CB 0.553 39.049 38.487 0.014 0.000 1.243 378 N HN 0.263 nan 8.380 nan 0.000 0.511 379 R N 0.048 120.575 120.500 0.044 0.000 2.401 379 R HA 0.319 4.660 4.340 0.000 0.000 0.299 379 R C 1.081 177.397 176.300 0.026 0.000 1.064 379 R CA 1.095 57.215 56.100 0.033 0.000 1.000 379 R CB -0.003 30.312 30.300 0.026 0.000 0.973 379 R HN 0.286 nan 8.270 nan 0.000 0.438 380 G N 2.353 111.167 108.800 0.024 0.000 2.176 380 G HA2 -0.352 3.608 3.960 0.000 0.000 0.232 380 G HA3 -0.352 3.608 3.960 0.000 0.000 0.232 380 G C 0.771 175.684 174.900 0.022 0.000 0.986 380 G CA 0.454 45.567 45.100 0.021 0.000 0.643 380 G HN 0.789 nan 8.290 nan 0.000 0.522 381 S N -0.104 115.611 115.700 0.024 0.000 2.474 381 S HA 0.346 4.816 4.470 0.000 0.000 0.235 381 S C 2.453 177.068 174.600 0.024 0.000 0.997 381 S CA 1.751 59.964 58.200 0.021 0.000 0.949 381 S CB -0.062 63.150 63.200 0.019 0.000 0.766 381 S HN 2.443 nan 8.310 nan 0.000 0.517 382 G N 0.350 109.168 108.800 0.030 0.000 2.195 382 G HA2 -0.212 3.748 3.960 0.000 0.000 0.246 382 G HA3 -0.212 3.748 3.960 0.000 0.000 0.246 382 G C -0.107 174.818 174.900 0.041 0.000 0.984 382 G CA 0.186 45.307 45.100 0.034 0.000 0.633 382 G HN 0.614 nan 8.290 nan 0.000 0.525 383 I N 0.580 121.175 120.570 0.043 0.000 2.656 383 I HA 0.573 4.743 4.170 0.000 0.000 0.292 383 I C 0.108 176.265 176.117 0.066 0.000 1.144 383 I CA -1.183 60.145 61.300 0.047 0.000 1.038 383 I CB 2.351 40.368 38.000 0.028 0.000 1.244 383 I HN 0.339 nan 8.210 nan 0.000 0.420 384 V N 2.891 122.858 119.914 0.089 0.000 3.103 384 V HA 0.867 4.987 4.120 0.000 0.000 0.318 384 V C 0.465 176.634 176.094 0.125 0.000 1.114 384 V CA -0.640 61.741 62.300 0.136 0.000 1.020 384 V CB 1.405 33.356 31.823 0.215 0.000 1.085 384 V HN 0.757 nan 8.190 nan 0.000 0.446 385 G N -0.228 108.679 108.800 0.178 0.000 2.491 385 G HA2 0.217 4.177 3.960 0.000 0.000 0.238 385 G HA3 0.217 4.177 3.960 0.000 0.000 0.238 385 G C -0.049 174.949 174.900 0.163 0.000 1.277 385 G CA 0.072 45.281 45.100 0.182 0.000 0.851 385 G HN 0.937 nan 8.290 nan 0.000 0.573 386 F N 1.298 121.215 119.950 -0.054 0.000 2.365 386 F HA 0.275 4.802 4.527 0.000 0.000 0.300 386 F C 1.367 177.117 175.800 -0.083 0.000 1.090 386 F CA 1.434 59.295 58.000 -0.231 0.000 1.408 386 F CB 0.032 38.851 39.000 -0.301 0.000 1.060 386 F HN 0.894 nan 8.300 nan 0.000 0.534 387 G N -0.896 108.014 108.800 0.182 0.000 2.402 387 G HA2 0.146 4.107 3.960 0.000 0.000 0.666 387 G HA3 0.146 4.107 3.960 0.000 0.000 0.666 387 G C -1.631 173.463 174.900 0.324 0.000 1.402 387 G CA -0.632 44.591 45.100 0.204 0.000 0.920 387 G HN 0.560 nan 8.290 nan 0.000 0.651 388 W N -0.926 120.440 121.300 0.110 0.000 2.902 388 W HA 0.727 5.388 4.660 0.000 0.000 0.346 388 W C -0.256 176.413 176.519 0.251 0.000 1.139 388 W CA -1.819 55.590 57.345 0.108 0.000 1.139 388 W CB 0.785 30.222 29.460 -0.039 0.000 1.439 388 W HN 1.047 nan 8.180 nan 0.000 0.558 389 W N 1.948 123.348 121.300 0.167 0.000 6.111 389 W HA -0.247 4.413 4.660 0.001 0.000 0.409 389 W C 0.022 176.634 176.519 0.155 0.000 1.586 389 W CA -0.634 56.750 57.345 0.066 0.000 1.027 389 W CB -1.992 27.347 29.460 -0.202 0.000 2.784 389 W HN 0.458 nan 8.180 nan 0.000 1.485 390 L N 0.636 122.042 121.223 0.305 0.000 2.858 390 L HA 0.110 4.451 4.340 0.000 0.000 0.243 390 L C 1.961 178.980 176.870 0.248 0.000 1.416 390 L CA 0.375 55.360 54.840 0.242 0.000 1.182 390 L CB -1.083 41.051 42.059 0.125 0.000 1.564 390 L HN 0.258 nan 8.230 nan 0.000 0.436 391 A N 0.841 123.857 122.820 0.327 0.000 1.872 391 A HA 0.141 4.461 4.320 0.000 0.000 0.214 391 A C 1.433 179.126 177.584 0.181 0.000 1.187 391 A CA 1.087 53.281 52.037 0.262 0.000 0.614 391 A CB -0.035 19.177 19.000 0.355 0.000 0.826 391 A HN 0.495 nan 8.150 nan 0.000 0.442 392 A N 0.478 123.384 122.820 0.143 0.000 2.260 392 A HA 0.600 4.920 4.320 0.000 0.000 0.312 392 A C -0.064 177.604 177.584 0.141 0.000 1.321 392 A CA -0.473 51.618 52.037 0.090 0.000 0.928 392 A CB -0.423 18.572 19.000 -0.009 0.000 1.158 392 A HN 0.876 nan 8.150 nan 0.000 0.542 393 I N 0.162 120.827 120.570 0.158 0.000 2.828 393 I HA 0.805 4.975 4.170 0.000 0.000 0.302 393 I C -1.405 174.810 176.117 0.164 0.000 1.101 393 I CA -1.128 60.289 61.300 0.195 0.000 1.031 393 I CB 2.217 40.350 38.000 0.222 0.000 1.231 393 I HN 0.486 nan 8.210 nan 0.000 0.427 394 L N 5.596 126.920 121.223 0.168 0.000 2.562 394 L HA 0.482 4.823 4.340 0.000 0.000 0.266 394 L C -1.601 175.350 176.870 0.134 0.000 0.949 394 L CA -0.475 54.450 54.840 0.141 0.000 0.879 394 L CB 2.206 44.343 42.059 0.129 0.000 1.278 394 L HN 0.719 nan 8.230 nan 0.000 0.404 395 L N 4.052 125.346 121.223 0.117 0.000 2.290 395 L HA 0.256 4.597 4.340 0.000 0.000 0.284 395 L C 0.243 177.165 176.870 0.088 0.000 1.078 395 L CA -0.322 54.576 54.840 0.097 0.000 0.815 395 L CB 0.915 43.020 42.059 0.077 0.000 1.162 395 L HN 0.518 nan 8.230 nan 0.000 0.435 396 D N 5.745 126.198 120.400 0.089 0.000 2.434 396 D HA 0.027 4.667 4.640 0.000 0.000 0.252 396 D C -1.629 174.716 176.300 0.074 0.000 1.185 396 D CA -1.465 52.601 54.000 0.110 0.000 0.886 396 D CB 1.433 42.308 40.800 0.124 0.000 1.148 396 D HN 0.233 nan 8.370 nan 0.000 0.483 397 P HA 0.014 nan 4.420 nan 0.000 0.234 397 P C 0.320 177.342 177.300 -0.463 0.000 1.167 397 P CA 0.671 63.657 63.100 -0.188 0.000 0.763 397 P CB 0.026 31.584 31.700 -0.237 0.000 0.835 398 F N -0.862 119.139 119.950 0.085 0.000 2.683 398 F HA 0.231 4.759 4.527 0.000 0.000 0.306 398 F C 1.267 177.115 175.800 0.079 0.000 1.102 398 F CA -0.095 57.954 58.000 0.082 0.000 1.244 398 F CB 0.303 39.356 39.000 0.088 0.000 1.029 398 F HN -0.096 nan 8.300 nan 0.000 0.545 399 S N -2.069 113.730 115.700 0.164 0.000 2.929 399 S HA 0.314 4.785 4.470 0.000 0.000 0.311 399 S C -0.446 174.207 174.600 0.087 0.000 1.213 399 S CA -0.559 57.723 58.200 0.136 0.000 0.908 399 S CB 1.462 64.763 63.200 0.169 0.000 1.287 399 S HN -0.105 nan 8.310 nan 0.000 0.594 400 D N 0.051 120.501 120.400 0.084 0.000 2.402 400 D HA 0.313 4.954 4.640 0.000 0.000 0.216 400 D C 0.116 176.453 176.300 0.062 0.000 1.128 400 D CA -0.299 53.736 54.000 0.058 0.000 0.833 400 D CB 0.097 40.923 40.800 0.043 0.000 0.971 400 D HN 0.357 nan 8.370 nan 0.000 0.503 401 R N 0.366 120.920 120.500 0.090 0.000 2.539 401 R HA 0.361 4.701 4.340 0.000 0.000 0.275 401 R C -0.413 175.934 176.300 0.079 0.000 1.077 401 R CA -0.261 55.893 56.100 0.089 0.000 1.097 401 R CB 1.272 31.640 30.300 0.114 0.000 1.018 401 R HN 0.118 nan 8.270 nan 0.000 0.483 402 L N 3.841 125.114 121.223 0.083 0.000 2.409 402 L HA 0.410 4.751 4.340 0.000 0.000 0.272 402 L C -1.745 175.239 176.870 0.189 0.000 0.980 402 L CA -0.911 54.020 54.840 0.153 0.000 0.826 402 L CB 1.682 43.860 42.059 0.199 0.000 1.268 402 L HN 0.435 nan 8.230 nan 0.000 0.407 403 L N 5.646 126.970 121.223 0.168 0.000 2.331 403 L HA 0.568 4.908 4.340 0.000 0.000 0.275 403 L C -0.760 176.251 176.870 0.234 0.000 1.022 403 L CA -0.351 54.562 54.840 0.121 0.000 0.812 403 L CB 1.598 43.684 42.059 0.046 0.000 1.257 403 L HN 0.516 nan 8.230 nan 0.000 0.435 404 Y N -0.505 119.860 120.300 0.109 0.000 2.470 404 Y HA 0.863 5.413 4.550 0.000 0.000 0.341 404 Y C -0.022 175.891 175.900 0.021 0.000 1.021 404 Y CA -1.391 56.750 58.100 0.068 0.000 1.025 404 Y CB 1.109 39.604 38.460 0.058 0.000 1.266 404 Y HN 0.626 nan 8.280 nan 0.000 0.448 405 G N 1.273 110.167 108.800 0.156 0.000 2.451 405 G HA2 0.559 4.519 3.960 0.000 0.000 0.303 405 G HA3 0.559 4.519 3.960 0.000 0.000 0.303 405 G C -0.528 174.463 174.900 0.152 0.000 1.166 405 G CA -0.152 44.973 45.100 0.040 0.000 0.884 405 G HN 1.060 nan 8.290 nan 0.000 0.514 406 T N -2.907 111.667 114.554 0.033 0.000 2.724 406 T HA 0.543 4.893 4.350 0.000 0.000 0.274 406 T C 1.397 176.070 174.700 -0.044 0.000 0.984 406 T CA 0.168 62.214 62.100 -0.089 0.000 1.024 406 T CB 1.385 70.026 68.868 -0.379 0.000 1.320 406 T HN 0.796 nan 8.240 nan 0.000 0.555 407 G N -0.885 107.563 108.800 -0.588 0.000 2.776 407 G HA2 0.379 4.339 3.960 0.000 0.000 0.209 407 G HA3 0.379 4.339 3.960 0.000 0.000 0.209 407 G C 0.875 175.653 174.900 -0.204 0.000 1.145 407 G CA 0.562 45.430 45.100 -0.387 0.000 0.791 407 G HN 1.165 nan 8.290 nan 0.000 0.530 408 A N -1.283 121.366 122.820 -0.284 0.000 1.895 408 A HA 0.604 4.924 4.320 0.000 0.000 0.198 408 A C 0.520 178.110 177.584 0.010 0.000 1.709 408 A CA 1.109 53.144 52.037 -0.004 0.000 1.194 408 A CB 0.540 19.655 19.000 0.192 0.000 1.260 408 A HN 0.947 nan 8.150 nan 0.000 0.441 409 V N -2.641 117.176 119.914 -0.162 0.000 3.181 409 V HA 0.676 4.796 4.120 0.000 0.000 0.307 409 V C -1.269 174.629 176.094 -0.326 0.000 1.310 409 V CA -1.112 61.032 62.300 -0.260 0.000 1.067 409 V CB 1.494 33.039 31.823 -0.463 0.000 1.081 409 V HN 0.199 nan 8.190 nan 0.000 0.453 410 I N 0.667 121.000 120.570 -0.394 0.000 2.378 410 I HA 0.462 4.632 4.170 0.000 0.000 0.291 410 I C -1.063 174.737 176.117 -0.529 0.000 0.992 410 I CA -0.098 60.974 61.300 -0.380 0.000 1.154 410 I CB 1.608 39.438 38.000 -0.282 0.000 1.315 410 I HN 0.665 nan 8.210 nan 0.000 0.448 411 W N 4.936 125.823 121.300 -0.688 0.000 2.449 411 W HA 0.715 5.375 4.660 0.000 0.000 0.331 411 W C 0.093 176.291 176.519 -0.534 0.000 1.119 411 W CA -0.198 56.692 57.345 -0.759 0.000 1.240 411 W CB 1.593 30.220 29.460 -1.389 0.000 1.251 411 W HN 0.465 nan 8.180 nan 0.000 0.576 412 A N 1.281 124.019 122.820 -0.137 0.000 2.556 412 A HA 0.782 5.102 4.320 0.000 0.000 0.294 412 A C -1.145 176.306 177.584 -0.222 0.000 1.091 412 A CA -0.635 51.291 52.037 -0.185 0.000 0.704 412 A CB 1.957 20.739 19.000 -0.364 0.000 1.300 412 A HN 0.397 nan 8.150 nan 0.000 0.406 413 T N -0.853 113.623 114.554 -0.130 0.000 2.900 413 T HA 0.453 4.803 4.350 0.000 0.000 0.295 413 T C -0.495 174.230 174.700 0.041 0.000 1.044 413 T CA -0.416 61.565 62.100 -0.198 0.000 0.995 413 T CB 1.277 69.788 68.868 -0.595 0.000 1.072 413 T HN 0.463 nan 8.240 nan 0.000 0.473 414 D N 2.181 122.696 120.400 0.191 0.000 2.347 414 D HA 0.255 4.895 4.640 0.000 0.000 0.213 414 D C 0.411 176.763 176.300 0.086 0.000 0.985 414 D CA 0.486 54.609 54.000 0.205 0.000 0.879 414 D CB 0.407 41.341 40.800 0.222 0.000 0.919 414 D HN 0.624 nan 8.370 nan 0.000 0.526 415 A N 0.475 123.297 122.820 0.003 0.000 2.768 415 A HA 0.303 4.623 4.320 0.000 0.000 0.299 415 A C 0.601 178.127 177.584 -0.098 0.000 1.171 415 A CA -0.464 51.557 52.037 -0.027 0.000 0.759 415 A CB 0.964 19.953 19.000 -0.018 0.000 1.267 415 A HN -0.053 nan 8.150 nan 0.000 0.421 416 V N 1.996 121.866 119.914 -0.073 0.000 2.970 416 V HA -0.092 4.029 4.120 0.000 0.000 0.260 416 V C 1.864 177.933 176.094 -0.043 0.000 1.100 416 V CA 2.835 65.084 62.300 -0.085 0.000 1.122 416 V CB -0.103 31.715 31.823 -0.009 0.000 0.721 416 V HN 0.780 nan 8.190 nan 0.000 0.483 417 S N -0.089 115.597 115.700 -0.024 0.000 2.507 417 S HA -0.027 4.443 4.470 0.000 0.000 0.235 417 S C 1.879 176.471 174.600 -0.012 0.000 0.988 417 S CA 0.370 58.565 58.200 -0.008 0.000 0.944 417 S CB -0.312 62.888 63.200 -0.001 0.000 0.762 417 S HN 0.558 nan 8.310 nan 0.000 0.526 418 R N 1.578 122.060 120.500 -0.030 0.000 2.127 418 R HA -0.052 4.288 4.340 0.000 0.000 0.238 418 R C 2.386 178.685 176.300 -0.001 0.000 1.134 418 R CA 1.236 57.322 56.100 -0.023 0.000 0.975 418 R CB -0.697 29.575 30.300 -0.046 0.000 0.865 418 R HN 0.466 nan 8.270 nan 0.000 0.447 419 A N 1.376 124.199 122.820 0.006 0.000 2.070 419 A HA -0.161 4.159 4.320 0.000 0.000 0.220 419 A C 1.478 179.090 177.584 0.047 0.000 1.159 419 A CA 1.458 53.524 52.037 0.047 0.000 0.656 419 A CB -0.214 18.829 19.000 0.072 0.000 0.800 419 A HN 0.175 nan 8.150 nan 0.000 0.453 420 D N 0.169 120.582 120.400 0.022 0.000 2.178 420 D HA -0.094 4.546 4.640 0.000 0.000 0.202 420 D C 1.896 178.190 176.300 -0.010 0.000 0.974 420 D CA 1.629 55.634 54.000 0.008 0.000 0.841 420 D CB -0.230 40.569 40.800 -0.002 0.000 0.953 420 D HN 0.588 nan 8.370 nan 0.000 0.478 421 S N 0.125 115.820 115.700 -0.008 0.000 2.679 421 S HA 0.040 4.510 4.470 0.000 0.000 0.233 421 S C 0.374 174.961 174.600 -0.021 0.000 0.951 421 S CA -0.433 57.754 58.200 -0.022 0.000 0.973 421 S CB -0.105 63.087 63.200 -0.014 0.000 0.778 421 S HN -0.013 nan 8.310 nan 0.000 0.477 422 N N 0.720 119.418 118.700 -0.002 0.000 2.741 422 N HA -0.151 4.589 4.740 0.000 0.000 0.250 422 N C -0.633 174.949 175.510 0.119 0.000 1.115 422 N CA 1.029 54.111 53.050 0.053 0.000 0.724 422 N CB -1.503 36.906 38.487 -0.130 0.000 1.090 422 N HN 0.750 nan 8.380 nan 0.000 0.558 423 Q N -0.724 119.124 119.800 0.079 0.000 2.399 423 Q HA 0.784 5.124 4.340 0.000 0.000 0.276 423 Q C -0.314 175.726 176.000 0.068 0.000 1.098 423 Q CA -0.700 55.146 55.803 0.072 0.000 0.827 423 Q CB 1.661 30.424 28.738 0.041 0.000 1.386 423 Q HN 0.294 nan 8.270 nan 0.000 0.443 424 A N 2.314 125.179 122.820 0.075 0.000 2.409 424 A HA 0.486 4.806 4.320 0.000 0.000 0.262 424 A C -2.282 175.299 177.584 -0.004 0.000 1.113 424 A CA -1.149 50.948 52.037 0.101 0.000 0.790 424 A CB -0.279 18.821 19.000 0.167 0.000 1.046 424 A HN 0.371 nan 8.150 nan 0.000 0.496 425 P HA 0.110 nan 4.420 nan 0.000 0.269 425 P C -0.238 176.748 177.300 -0.523 0.000 1.217 425 P CA 0.081 62.906 63.100 -0.459 0.000 0.783 425 P CB 0.469 31.594 31.700 -0.959 0.000 0.898 426 S N 1.021 116.506 115.700 -0.358 0.000 2.513 426 S HA 0.386 4.857 4.470 0.000 0.000 0.276 426 S C -0.752 173.760 174.600 -0.147 0.000 1.254 426 S CA -0.282 57.843 58.200 -0.125 0.000 1.053 426 S CB -0.113 63.101 63.200 0.023 0.000 0.958 426 S HN 0.312 nan 8.310 nan 0.000 0.491 427 W N 2.247 123.648 121.300 0.169 0.000 2.762 427 W HA 0.725 5.386 4.660 0.000 0.000 0.355 427 W C -0.530 176.192 176.519 0.338 0.000 1.124 427 W CA -0.915 56.521 57.345 0.151 0.000 1.141 427 W CB 0.539 30.059 29.460 0.101 0.000 1.432 427 W HN 0.722 nan 8.180 nan 0.000 0.586 428 Y N -1.903 118.748 120.300 0.585 0.000 2.689 428 Y HA 0.720 5.271 4.550 0.000 0.000 0.333 428 Y C -1.119 174.900 175.900 0.198 0.000 1.208 428 Y CA -2.246 56.076 58.100 0.371 0.000 1.055 428 Y CB 0.600 39.201 38.460 0.236 0.000 1.304 428 Y HN 0.295 nan 8.280 nan 0.000 0.455 429 I N 2.060 122.653 120.570 0.037 0.000 2.396 429 I HA 0.239 4.410 4.170 0.000 0.000 0.292 429 I C -0.041 176.116 176.117 0.066 0.000 0.999 429 I CA -0.252 60.837 61.300 -0.352 0.000 1.310 429 I CB 1.228 38.834 38.000 -0.658 0.000 1.404 429 I HN 0.783 nan 8.210 nan 0.000 0.496 430 N N 4.147 122.831 118.700 -0.027 0.000 2.696 430 N HA 0.112 4.853 4.740 0.000 0.000 0.308 430 N C 0.289 175.879 175.510 0.133 0.000 1.915 430 N CA -0.044 53.105 53.050 0.165 0.000 0.906 430 N CB 0.530 39.092 38.487 0.125 0.000 1.284 430 N HN 0.784 nan 8.380 nan 0.000 0.488 431 T N -2.705 111.889 114.554 0.068 0.000 3.054 431 T HA 0.166 4.516 4.350 0.000 0.000 0.255 431 T C 0.312 175.099 174.700 0.144 0.000 1.035 431 T CA -0.214 61.895 62.100 0.017 0.000 0.941 431 T CB 0.089 68.906 68.868 -0.085 0.000 1.026 431 T HN 0.122 nan 8.240 nan 0.000 0.533 432 E N 1.735 122.084 120.200 0.248 0.000 2.966 432 E HA 0.332 4.682 4.350 0.000 0.000 0.254 432 E C 1.491 178.248 176.600 0.261 0.000 0.923 432 E CA 1.658 58.203 56.400 0.242 0.000 0.960 432 E CB -0.592 29.271 29.700 0.271 0.000 0.901 432 E HN 0.516 nan 8.360 nan 0.000 0.525 433 G N 2.865 111.769 108.800 0.174 0.000 2.268 433 G HA2 -0.312 3.648 3.960 0.000 0.000 0.240 433 G HA3 -0.312 3.648 3.960 0.000 0.000 0.240 433 G C 0.370 175.342 174.900 0.120 0.000 1.010 433 G CA -0.072 45.141 45.100 0.187 0.000 0.618 433 G HN 0.493 nan 8.290 nan 0.000 0.516 434 I N 2.029 122.546 120.570 -0.089 0.000 2.416 434 I HA 0.355 4.525 4.170 0.000 0.000 0.288 434 I C -0.349 175.717 176.117 -0.085 0.000 1.051 434 I CA -0.103 60.964 61.300 -0.389 0.000 1.375 434 I CB 0.992 38.582 38.000 -0.683 0.000 1.407 434 I HN 0.009 nan 8.210 nan 0.000 0.516 435 E N 6.978 127.207 120.200 0.049 0.000 2.235 435 E HA 0.189 4.539 4.350 0.000 0.000 0.252 435 E C -0.279 176.355 176.600 0.058 0.000 0.886 435 E CA -0.155 56.263 56.400 0.029 0.000 0.767 435 E CB 1.874 31.577 29.700 0.005 0.000 1.205 435 E HN 0.576 nan 8.360 nan 0.000 0.421 436 E N 1.766 121.972 120.200 0.009 0.000 2.603 436 E HA 0.042 4.393 4.350 0.000 0.000 0.211 436 E C -0.200 176.401 176.600 0.002 0.000 0.995 436 E CA 0.012 56.430 56.400 0.031 0.000 0.990 436 E CB 0.627 30.344 29.700 0.028 0.000 1.036 436 E HN 0.470 nan 8.360 nan 0.000 0.475 437 T N -0.910 113.620 114.554 -0.040 0.000 2.898 437 T HA 0.417 4.767 4.350 0.000 0.000 0.301 437 T C 0.245 174.947 174.700 0.003 0.000 1.049 437 T CA -0.537 61.537 62.100 -0.044 0.000 1.095 437 T CB 1.735 70.531 68.868 -0.119 0.000 0.976 437 T HN 0.083 nan 8.240 nan 0.000 0.539 438 A N 4.110 126.971 122.820 0.068 0.000 2.322 438 A HA 0.563 4.884 4.320 0.000 0.000 0.327 438 A C 0.397 178.065 177.584 0.139 0.000 1.394 438 A CA -1.031 51.091 52.037 0.141 0.000 0.921 438 A CB -0.255 18.889 19.000 0.241 0.000 1.153 438 A HN 0.892 nan 8.150 nan 0.000 0.523 439 I N 0.843 121.437 120.570 0.039 0.000 2.577 439 I HA 0.471 4.641 4.170 0.000 0.000 0.300 439 I C 0.038 176.138 176.117 -0.028 0.000 0.990 439 I CA -0.639 60.654 61.300 -0.013 0.000 1.283 439 I CB 0.880 38.856 38.000 -0.040 0.000 1.411 439 I HN 0.565 nan 8.210 nan 0.000 0.515 440 L N 4.077 125.258 121.223 -0.069 0.000 2.685 440 L HA 0.410 4.751 4.340 0.000 0.000 0.235 440 L C 0.225 177.085 176.870 -0.017 0.000 1.070 440 L CA 0.211 54.996 54.840 -0.091 0.000 0.888 440 L CB 1.048 42.977 42.059 -0.217 0.000 1.203 440 L HN 0.582 nan 8.230 nan 0.000 0.499 441 V N 0.641 120.566 119.914 0.018 0.000 2.950 441 V HA 0.453 4.573 4.120 0.000 0.000 0.295 441 V C -1.975 174.178 176.094 0.100 0.000 1.297 441 V CA -0.479 61.861 62.300 0.066 0.000 0.962 441 V CB 2.452 34.318 31.823 0.072 0.000 1.081 441 V HN -0.043 nan 8.190 nan 0.000 0.432 442 L N 6.564 127.859 121.223 0.120 0.000 2.381 442 L HA 0.732 5.072 4.340 0.000 0.000 0.274 442 L C -0.701 176.296 176.870 0.211 0.000 0.988 442 L CA -0.662 54.264 54.840 0.142 0.000 0.824 442 L CB 2.177 44.293 42.059 0.095 0.000 1.263 442 L HN 0.438 nan 8.230 nan 0.000 0.410 443 K N 1.949 122.515 120.400 0.277 0.000 2.463 443 K HA 0.413 4.733 4.320 0.000 0.000 0.255 443 K C -1.005 175.812 176.600 0.362 0.000 0.942 443 K CA -0.385 56.131 56.287 0.381 0.000 0.814 443 K CB 2.321 35.073 32.500 0.419 0.000 1.122 443 K HN 0.396 nan 8.250 nan 0.000 0.425 444 S N 4.343 120.226 115.700 0.305 0.000 2.528 444 S HA 0.458 4.928 4.470 0.000 0.000 0.303 444 S C -2.523 171.937 174.600 -0.234 0.000 1.123 444 S CA -1.609 56.677 58.200 0.145 0.000 1.138 444 S CB 0.420 63.780 63.200 0.267 0.000 0.984 444 S HN 0.197 nan 8.310 nan 0.000 0.474 445 P HA 0.246 nan 4.420 nan 0.000 0.274 445 P C -2.107 174.846 177.300 -0.578 0.000 1.237 445 P CA -1.519 60.874 63.100 -1.178 0.000 0.793 445 P CB 0.212 31.524 31.700 -0.646 0.000 0.977 446 P HA 0.071 nan 4.420 nan 0.000 0.242 446 P C -0.146 177.070 177.300 -0.140 0.000 1.197 446 P CA 1.023 64.013 63.100 -0.183 0.000 0.765 446 P CB 0.216 31.883 31.700 -0.054 0.000 0.936 447 A N -1.745 120.976 122.820 -0.165 0.000 2.536 447 A HA 0.725 5.045 4.320 0.000 0.000 0.293 447 A C -0.290 177.242 177.584 -0.086 0.000 1.119 447 A CA -0.151 51.821 52.037 -0.109 0.000 0.654 447 A CB 0.914 19.884 19.000 -0.050 0.000 1.291 447 A HN 0.331 nan 8.150 nan 0.000 0.439 448 G N -1.128 107.645 108.800 -0.045 0.000 2.498 448 G HA2 0.221 4.182 3.960 0.000 0.000 0.651 448 G HA3 0.221 4.182 3.960 0.000 0.000 0.651 448 G C -2.116 172.788 174.900 0.006 0.000 1.284 448 G CA 0.102 45.201 45.100 -0.001 0.000 0.950 448 G HN 1.047 nan 8.290 nan 0.000 0.511 449 P HA 0.424 nan 4.420 nan 0.000 0.241 449 P C 0.477 177.798 177.300 0.035 0.000 1.191 449 P CA 1.680 64.794 63.100 0.024 0.000 0.771 449 P CB 0.358 32.063 31.700 0.008 0.000 0.929 450 A N -0.877 121.968 122.820 0.041 0.000 2.475 450 A HA 0.501 4.821 4.320 0.000 0.000 0.301 450 A C 0.288 177.933 177.584 0.102 0.000 1.059 450 A CA -0.559 51.507 52.037 0.049 0.000 0.710 450 A CB 0.546 19.448 19.000 -0.163 0.000 1.288 450 A HN 0.017 nan 8.150 nan 0.000 0.408 451 H N 0.235 119.333 119.070 0.048 0.000 2.563 451 H HA 0.232 4.788 4.556 0.000 0.000 0.264 451 H C -0.834 174.553 175.328 0.098 0.000 0.957 451 H CA 0.633 56.758 56.048 0.128 0.000 1.173 451 H CB 0.829 30.712 29.762 0.200 0.000 1.420 451 H HN 0.358 nan 8.280 nan 0.000 0.551 452 L N 0.431 121.752 121.223 0.163 0.000 2.526 452 L HA 0.323 4.664 4.340 0.000 0.000 0.263 452 L C -1.885 175.064 176.870 0.133 0.000 0.943 452 L CA -0.587 54.276 54.840 0.038 0.000 0.859 452 L CB 1.535 43.367 42.059 -0.377 0.000 1.313 452 L HN -0.224 nan 8.230 nan 0.000 0.406 453 F N 2.347 122.405 119.950 0.180 0.000 2.508 453 F HA 0.795 5.322 4.527 0.000 0.000 0.325 453 F C 0.354 176.307 175.800 0.254 0.000 1.090 453 F CA -0.289 57.869 58.000 0.264 0.000 0.945 453 F CB 2.437 41.614 39.000 0.295 0.000 1.156 453 F HN 0.533 nan 8.300 nan 0.000 0.463 454 S N 0.784 116.745 115.700 0.436 0.000 2.566 454 S HA 0.959 5.429 4.470 0.000 0.000 0.298 454 S C -0.579 174.192 174.600 0.285 0.000 1.083 454 S CA -0.816 57.561 58.200 0.296 0.000 0.978 454 S CB 1.913 65.300 63.200 0.312 0.000 1.073 454 S HN 0.971 nan 8.310 nan 0.000 0.491 455 G N 1.201 110.107 108.800 0.176 0.000 2.591 455 G HA2 0.733 4.693 3.960 0.000 0.000 0.306 455 G HA3 0.733 4.693 3.960 0.000 0.000 0.306 455 G C -0.844 174.062 174.900 0.011 0.000 1.334 455 G CA -1.124 44.055 45.100 0.131 0.000 0.981 455 G HN 1.128 nan 8.290 nan 0.000 0.491 456 M N 0.285 119.863 119.600 -0.038 0.000 2.732 456 M HA 0.474 4.954 4.480 0.000 0.000 0.272 456 M C -1.647 174.580 176.300 -0.121 0.000 1.203 456 M CA -1.164 54.077 55.300 -0.097 0.000 0.841 456 M CB 1.446 34.011 32.600 -0.058 0.000 1.685 456 M HN 0.400 nan 8.290 nan 0.000 0.492 457 Y N 2.011 122.310 120.300 -0.003 0.000 2.578 457 Y HA 0.103 4.653 4.550 0.001 0.000 0.339 457 Y C 0.914 176.814 175.900 -0.000 0.000 1.231 457 Y CA 1.752 59.853 58.100 0.003 0.000 1.461 457 Y CB 0.297 38.760 38.460 0.006 0.000 1.323 457 Y HN 1.080 nan 8.280 nan 0.000 0.590 458 D N -0.794 119.735 120.400 0.214 0.000 2.601 458 D HA -0.316 4.324 4.640 0.000 0.000 0.180 458 D C 0.365 176.783 176.300 0.195 0.000 1.213 458 D CA 1.942 56.050 54.000 0.180 0.000 1.112 458 D CB -1.210 39.686 40.800 0.161 0.000 1.132 458 D HN 0.425 nan 8.370 nan 0.000 0.418 459 L N -0.853 120.401 121.223 0.052 0.000 2.766 459 L HA 0.624 4.964 4.340 0.000 0.000 0.242 459 L C 2.358 179.179 176.870 -0.082 0.000 1.136 459 L CA 1.249 56.028 54.840 -0.100 0.000 0.933 459 L CB 0.569 42.388 42.059 -0.400 0.000 1.241 459 L HN 0.648 nan 8.230 nan 0.000 0.522 460 G N -0.209 108.607 108.800 0.026 0.000 5.426 460 G HA2 -0.062 3.899 3.960 0.000 0.000 0.297 460 G HA3 -0.062 3.899 3.960 0.000 0.000 0.297 460 G C 0.694 175.628 174.900 0.056 0.000 1.422 460 G CA -0.043 45.124 45.100 0.111 0.000 0.938 460 G HN 1.051 nan 8.290 nan 0.000 0.754 461 G N -1.323 107.375 108.800 -0.169 0.000 2.341 461 G HA2 0.630 4.590 3.960 0.000 0.000 0.293 461 G HA3 0.630 4.590 3.960 0.000 0.000 0.293 461 G C -0.915 173.477 174.900 -0.847 0.000 1.298 461 G CA 0.464 45.399 45.100 -0.275 0.000 0.868 461 G HN 1.877 nan 8.290 nan 0.000 0.540 462 M N -0.962 118.177 119.600 -0.768 0.000 2.569 462 M HA 0.640 5.120 4.480 0.000 0.000 0.279 462 M C -0.695 175.165 176.300 -0.732 0.000 1.253 462 M CA -1.082 53.631 55.300 -0.979 0.000 0.867 462 M CB 1.698 33.853 32.600 -0.742 0.000 1.727 462 M HN 0.674 nan 8.290 nan 0.000 0.467 463 R N 1.718 121.924 120.500 -0.490 0.000 2.288 463 R HA 0.197 4.537 4.340 0.000 0.000 0.330 463 R C -0.690 175.296 176.300 -0.523 0.000 1.069 463 R CA -0.077 55.667 56.100 -0.593 0.000 0.941 463 R CB 0.171 30.195 30.300 -0.459 0.000 0.998 463 R HN 0.606 nan 8.270 nan 0.000 0.452 464 H N 4.402 123.329 119.070 -0.238 0.000 2.923 464 H HA 0.003 4.559 4.556 0.000 0.000 0.251 464 H C -0.027 175.312 175.328 0.018 0.000 1.741 464 H CA -0.306 55.722 56.048 -0.033 0.000 1.387 464 H CB 0.558 30.350 29.762 0.049 0.000 1.740 464 H HN 0.638 nan 8.280 nan 0.000 0.544 465 D N 0.588 120.988 120.400 -0.000 0.000 2.117 465 D HA -0.121 4.519 4.640 0.000 0.000 0.197 465 D C 0.555 176.825 176.300 -0.050 0.000 0.987 465 D CA 1.608 55.586 54.000 -0.037 0.000 0.829 465 D CB 0.398 41.167 40.800 -0.051 0.000 0.961 465 D HN 0.455 nan 8.370 nan 0.000 0.460 466 D N -1.402 119.018 120.400 0.033 0.000 2.736 466 D HA 0.095 4.736 4.640 0.000 0.000 0.243 466 D C 0.180 176.596 176.300 0.193 0.000 1.304 466 D CA -0.574 53.424 54.000 -0.003 0.000 0.934 466 D CB 0.433 41.226 40.800 -0.012 0.000 1.382 466 D HN -0.053 nan 8.370 nan 0.000 0.571 467 F N 1.289 121.237 119.950 -0.003 0.000 2.365 467 F HA -0.135 4.393 4.527 0.001 0.000 0.300 467 F C 2.343 178.144 175.800 0.001 0.000 1.090 467 F CA 0.610 58.602 58.000 -0.013 0.000 1.408 467 F CB 0.272 39.253 39.000 -0.031 0.000 1.060 467 F HN 0.344 nan 8.300 nan 0.000 0.534 468 S N -1.052 114.760 115.700 0.186 0.000 2.558 468 S HA 0.139 4.609 4.470 0.000 0.000 0.217 468 S C 0.218 174.876 174.600 0.097 0.000 0.975 468 S CA -0.098 58.172 58.200 0.116 0.000 0.912 468 S CB -0.048 63.195 63.200 0.072 0.000 0.776 468 S HN -0.007 nan 8.310 nan 0.000 0.526 469 V N 2.343 122.322 119.914 0.108 0.000 2.888 469 V HA 0.491 4.611 4.120 0.000 0.000 0.309 469 V C -2.761 173.400 176.094 0.112 0.000 1.114 469 V CA -2.240 60.113 62.300 0.088 0.000 0.940 469 V CB 2.478 34.335 31.823 0.057 0.000 1.021 469 V HN 0.065 nan 8.190 nan 0.000 0.426 470 P HA 0.206 nan 4.420 nan 0.000 0.269 470 P C -1.091 176.285 177.300 0.127 0.000 1.209 470 P CA -0.084 63.117 63.100 0.169 0.000 0.776 470 P CB 0.387 32.189 31.700 0.169 0.000 0.876 471 Q N 2.334 122.224 119.800 0.149 0.000 2.359 471 Q HA 0.487 4.827 4.340 0.000 0.000 0.275 471 Q C -2.389 173.651 176.000 0.067 0.000 1.082 471 Q CA -2.220 53.610 55.803 0.045 0.000 0.849 471 Q CB 0.859 29.552 28.738 -0.074 0.000 1.377 471 Q HN 0.322 nan 8.270 nan 0.000 0.452 472 P HA 0.120 nan 4.420 nan 0.000 0.275 472 P C -0.317 176.920 177.300 -0.105 0.000 1.228 472 P CA -0.196 62.900 63.100 -0.008 0.000 0.786 472 P CB 0.489 32.179 31.700 -0.018 0.000 0.927 473 M N 1.891 121.430 119.600 -0.102 0.000 2.198 473 M HA 0.265 4.745 4.480 0.000 0.000 0.315 473 M C -0.251 175.906 176.300 -0.238 0.000 1.134 473 M CA -0.155 54.978 55.300 -0.278 0.000 1.171 473 M CB -0.357 32.128 32.600 -0.193 0.000 1.413 473 M HN 0.175 nan 8.290 nan 0.000 0.467 474 Y N 0.897 121.142 120.300 -0.091 0.000 2.788 474 Y HA 0.187 4.737 4.550 0.000 0.000 0.341 474 Y C 0.764 176.579 175.900 -0.143 0.000 1.258 474 Y CA 0.152 58.162 58.100 -0.150 0.000 1.503 474 Y CB 0.124 38.312 38.460 -0.452 0.000 1.325 474 Y HN 0.816 nan 8.280 nan 0.000 0.614 475 S N 0.997 116.740 115.700 0.070 0.000 2.569 475 S HA 0.521 4.991 4.470 0.000 0.000 0.280 475 S C -1.164 173.446 174.600 0.018 0.000 1.111 475 S CA -1.482 56.737 58.200 0.033 0.000 0.887 475 S CB 1.924 65.165 63.200 0.068 0.000 1.095 475 S HN 0.683 nan 8.310 nan 0.000 0.476 476 K N 0.365 120.767 120.400 0.003 0.000 3.974 476 K HA -0.115 4.205 4.320 0.000 0.000 0.280 476 K C -2.597 173.980 176.600 -0.038 0.000 0.949 476 K CA 0.568 56.864 56.287 0.014 0.000 0.817 476 K CB -1.727 30.806 32.500 0.055 0.000 1.535 476 K HN 0.633 nan 8.250 nan 0.000 0.444 477 P HA 0.137 nan 4.420 nan 0.000 0.282 477 P C -0.367 176.811 177.300 -0.202 0.000 1.259 477 P CA -0.297 62.745 63.100 -0.098 0.000 0.826 477 P CB 1.035 32.753 31.700 0.029 0.000 1.064 478 T N 2.523 117.092 114.554 0.025 0.000 2.806 478 T HA 0.395 4.746 4.350 0.000 0.000 0.290 478 T C -0.092 174.807 174.700 0.332 0.000 0.966 478 T CA 0.039 62.199 62.100 0.100 0.000 1.060 478 T CB -0.092 68.889 68.868 0.188 0.000 0.927 478 T HN 0.186 nan 8.240 nan 0.000 0.485 479 F N 1.041 121.021 119.950 0.050 0.000 2.450 479 F HA 0.295 4.822 4.527 0.001 0.000 0.332 479 F C 1.736 177.579 175.800 0.070 0.000 1.093 479 F CA -1.084 56.935 58.000 0.032 0.000 1.003 479 F CB 1.979 40.977 39.000 -0.004 0.000 1.151 479 F HN 0.608 nan 8.300 nan 0.000 0.474 480 S N 1.903 117.729 115.700 0.210 0.000 2.377 480 S HA -0.066 4.404 4.470 0.000 0.000 0.223 480 S C 0.559 175.233 174.600 0.123 0.000 1.030 480 S CA 0.903 59.191 58.200 0.148 0.000 0.970 480 S CB -0.050 63.177 63.200 0.044 0.000 0.830 480 S HN 0.640 nan 8.310 nan 0.000 0.473 481 S N 0.245 115.978 115.700 0.056 0.000 2.542 481 S HA 0.592 5.062 4.470 0.000 0.000 0.293 481 S C -0.556 174.063 174.600 0.032 0.000 1.089 481 S CA -0.316 57.885 58.200 0.002 0.000 0.961 481 S CB 1.634 64.782 63.200 -0.087 0.000 1.062 481 S HN 0.354 nan 8.310 nan 0.000 0.483 482 T N -0.186 114.412 114.554 0.073 0.000 2.893 482 T HA 0.393 4.743 4.350 0.000 0.000 0.324 482 T C -0.222 174.476 174.700 -0.003 0.000 1.082 482 T CA -0.663 61.521 62.100 0.140 0.000 0.983 482 T CB 0.429 69.487 68.868 0.318 0.000 1.005 482 T HN 0.591 nan 8.240 nan 0.000 0.475 483 D N 3.212 123.574 120.400 -0.062 0.000 2.333 483 D HA 0.168 4.809 4.640 0.000 0.000 0.208 483 D C 0.988 177.269 176.300 -0.032 0.000 0.984 483 D CA 0.325 54.277 54.000 -0.081 0.000 0.873 483 D CB 0.560 41.312 40.800 -0.080 0.000 0.935 483 D HN 0.757 nan 8.370 nan 0.000 0.521 484 G N 0.759 109.545 108.800 -0.023 0.000 2.733 484 G HA2 0.530 4.490 3.960 0.000 0.000 0.297 484 G HA3 0.530 4.490 3.960 0.000 0.000 0.297 484 G C -1.889 173.004 174.900 -0.013 0.000 1.422 484 G CA -0.471 44.619 45.100 -0.016 0.000 0.942 484 G HN 0.071 nan 8.290 nan 0.000 0.510 485 L N 0.786 122.022 121.223 0.021 0.000 2.591 485 L HA 0.875 5.215 4.340 0.000 0.000 0.257 485 L C -2.117 174.789 176.870 0.060 0.000 0.935 485 L CA -0.414 54.450 54.840 0.039 0.000 0.873 485 L CB 2.677 44.777 42.059 0.068 0.000 1.397 485 L HN 0.686 nan 8.230 nan 0.000 0.414 486 D N 1.261 121.697 120.400 0.060 0.000 2.648 486 D HA 0.578 5.218 4.640 0.000 0.000 0.244 486 D C -1.536 174.780 176.300 0.026 0.000 1.244 486 D CA -0.090 53.902 54.000 -0.013 0.000 0.772 486 D CB 1.544 42.320 40.800 -0.040 0.000 1.379 486 D HN 0.390 nan 8.370 nan 0.000 0.428 487 F N 0.124 120.098 119.950 0.041 0.000 2.613 487 F HA 0.929 5.456 4.527 0.001 0.000 0.342 487 F C -0.383 175.445 175.800 0.046 0.000 1.066 487 F CA -1.407 56.599 58.000 0.010 0.000 1.002 487 F CB 0.866 39.838 39.000 -0.047 0.000 1.319 487 F HN 0.295 nan 8.300 nan 0.000 0.495 488 A N 0.726 123.719 122.820 0.289 0.000 2.276 488 A HA 0.526 4.846 4.320 0.000 0.000 0.300 488 A C 1.197 178.980 177.584 0.331 0.000 1.235 488 A CA -0.100 52.038 52.037 0.169 0.000 0.867 488 A CB 0.146 19.202 19.000 0.092 0.000 1.137 488 A HN 1.226 nan 8.150 nan 0.000 0.527 489 G N 1.560 110.497 108.800 0.228 0.000 2.505 489 G HA2 -0.235 3.725 3.960 0.000 0.000 0.220 489 G HA3 -0.235 3.725 3.960 0.000 0.000 0.220 489 G C 1.349 176.359 174.900 0.183 0.000 1.145 489 G CA 1.063 46.331 45.100 0.280 0.000 0.761 489 G HN 0.722 nan 8.290 nan 0.000 0.571 490 R N -0.246 120.320 120.500 0.110 0.000 2.397 490 R HA 0.454 4.794 4.340 0.000 0.000 0.241 490 R C 0.331 176.671 176.300 0.065 0.000 0.914 490 R CA 0.298 56.443 56.100 0.075 0.000 1.071 490 R CB 0.753 31.083 30.300 0.051 0.000 1.116 490 R HN 0.257 nan 8.270 nan 0.000 0.524 491 A N 0.205 123.074 122.820 0.083 0.000 3.159 491 A HA 0.494 4.814 4.320 0.000 0.000 0.330 491 A C 0.717 178.360 177.584 0.099 0.000 1.032 491 A CA -0.372 51.710 52.037 0.076 0.000 0.841 491 A CB 0.652 19.692 19.000 0.066 0.000 1.093 491 A HN 0.221 nan 8.150 nan 0.000 0.478 492 A N 1.460 124.325 122.820 0.076 0.000 2.125 492 A HA -0.142 4.178 4.320 0.000 0.000 0.219 492 A C 1.769 179.371 177.584 0.030 0.000 1.156 492 A CA 1.493 53.558 52.037 0.046 0.000 0.671 492 A CB -0.476 18.504 19.000 -0.034 0.000 0.794 492 A HN 0.839 nan 8.150 nan 0.000 0.459 493 N N -0.156 118.565 118.700 0.036 0.000 2.494 493 N HA -0.018 4.723 4.740 0.000 0.000 0.182 493 N C -0.075 175.446 175.510 0.018 0.000 1.076 493 N CA 0.629 53.690 53.050 0.018 0.000 0.908 493 N CB -0.125 38.372 38.487 0.016 0.000 0.967 493 N HN 0.205 nan 8.380 nan 0.000 0.449 494 V N 1.869 121.829 119.914 0.076 0.000 2.370 494 V HA 0.403 4.524 4.120 0.000 0.000 0.283 494 V C -0.313 175.872 176.094 0.152 0.000 1.023 494 V CA -0.667 61.717 62.300 0.140 0.000 0.857 494 V CB 1.110 33.063 31.823 0.218 0.000 0.985 494 V HN 0.037 nan 8.190 nan 0.000 0.443 495 L N 3.937 125.230 121.223 0.117 0.000 2.327 495 L HA 0.977 5.317 4.340 0.000 0.000 0.258 495 L C -0.003 177.077 176.870 0.350 0.000 1.024 495 L CA -0.528 54.410 54.840 0.163 0.000 0.825 495 L CB 1.982 43.997 42.059 -0.074 0.000 1.386 495 L HN 0.674 nan 8.230 nan 0.000 0.417 496 A N 0.957 123.989 122.820 0.354 0.000 2.374 496 A HA 0.937 5.257 4.320 0.000 0.000 0.317 496 A C -0.850 176.815 177.584 0.135 0.000 1.094 496 A CA -0.630 51.602 52.037 0.325 0.000 0.765 496 A CB 1.636 20.895 19.000 0.433 0.000 1.268 496 A HN 0.622 nan 8.150 nan 0.000 0.438 497 R N 0.721 121.215 120.500 -0.010 0.000 2.621 497 R HA 0.654 4.994 4.340 0.000 0.000 0.284 497 R C -2.094 174.229 176.300 0.038 0.000 0.998 497 R CA -0.494 55.505 56.100 -0.168 0.000 0.895 497 R CB 2.409 32.257 30.300 -0.754 0.000 1.195 497 R HN 0.503 nan 8.270 nan 0.000 0.450 498 V N 2.194 122.157 119.914 0.083 0.000 2.668 498 V HA 0.809 4.929 4.120 0.000 0.000 0.304 498 V C -0.209 175.782 176.094 -0.172 0.000 1.071 498 V CA -0.247 61.999 62.300 -0.090 0.000 0.894 498 V CB 2.032 33.550 31.823 -0.507 0.000 1.008 498 V HN 1.014 nan 8.190 nan 0.000 0.425 499 G N 4.176 112.624 108.800 -0.588 0.000 2.489 499 G HA2 0.477 4.437 3.960 0.000 0.000 0.305 499 G HA3 0.477 4.437 3.960 0.000 0.000 0.305 499 G C -1.533 172.943 174.900 -0.707 0.000 1.311 499 G CA -0.955 43.698 45.100 -0.745 0.000 0.813 499 G HN 0.684 nan 8.290 nan 0.000 0.480 500 R N 0.469 120.675 120.500 -0.491 0.000 2.265 500 R HA 0.387 4.727 4.340 0.000 0.000 0.314 500 R C -1.009 175.088 176.300 -0.338 0.000 1.053 500 R CA -0.532 55.376 56.100 -0.321 0.000 0.931 500 R CB 0.585 30.788 30.300 -0.161 0.000 1.024 500 R HN 0.405 nan 8.270 nan 0.000 0.457 501 N N 3.719 122.270 118.700 -0.249 0.000 2.626 501 N HA 0.078 4.818 4.740 0.000 0.000 0.242 501 N C -0.743 174.706 175.510 -0.102 0.000 1.005 501 N CA -0.421 52.584 53.050 -0.075 0.000 0.905 501 N CB 1.424 39.924 38.487 0.022 0.000 1.128 501 N HN 0.597 nan 8.380 nan 0.000 0.512 502 D N 1.180 121.475 120.400 -0.175 0.000 2.317 502 D HA -0.030 4.610 4.640 0.000 0.000 0.211 502 D C -0.363 175.566 176.300 -0.619 0.000 0.966 502 D CA 1.106 54.848 54.000 -0.429 0.000 0.876 502 D CB 0.207 40.642 40.800 -0.608 0.000 0.927 502 D HN 0.643 nan 8.370 nan 0.000 0.519 503 H N -0.269 118.813 119.070 0.020 0.000 2.488 503 H HA 0.246 4.802 4.556 0.000 0.000 0.237 503 H C -2.319 173.035 175.328 0.042 0.000 1.395 503 H CA -1.566 54.494 56.048 0.020 0.000 1.491 503 H CB 1.042 30.817 29.762 0.021 0.000 1.567 503 H HN -0.067 nan 8.280 nan 0.000 0.508 504 P HA -0.030 nan 4.420 nan 0.000 0.268 504 P C -0.191 177.161 177.300 0.088 0.000 1.205 504 P CA -0.131 63.024 63.100 0.091 0.000 0.771 504 P CB 1.087 32.821 31.700 0.056 0.000 0.858 505 D N 0.897 121.345 120.400 0.080 0.000 2.425 505 D HA 0.226 4.866 4.640 0.000 0.000 0.247 505 D C 0.570 176.900 176.300 0.049 0.000 1.147 505 D CA 0.298 54.335 54.000 0.062 0.000 0.879 505 D CB 0.258 41.090 40.800 0.053 0.000 1.179 505 D HN 0.339 nan 8.370 nan 0.000 0.456 506 A N 1.654 124.498 122.820 0.040 0.000 2.524 506 A HA 0.468 4.788 4.320 0.000 0.000 0.250 506 A C 1.476 179.077 177.584 0.028 0.000 1.078 506 A CA 0.299 52.355 52.037 0.031 0.000 0.761 506 A CB -0.247 18.768 19.000 0.025 0.000 1.012 506 A HN 0.874 nan 8.150 nan 0.000 0.500 507 G N 1.251 110.067 108.800 0.027 0.000 2.203 507 G HA2 -0.146 3.815 3.960 0.000 0.000 0.263 507 G HA3 -0.146 3.815 3.960 0.000 0.000 0.263 507 G C 0.079 174.996 174.900 0.029 0.000 1.012 507 G CA 0.356 45.471 45.100 0.025 0.000 0.749 507 G HN 1.413 nan 8.290 nan 0.000 0.512 508 V N 0.602 120.537 119.914 0.035 0.000 2.370 508 V HA 0.744 4.864 4.120 0.000 0.000 0.279 508 V C 0.799 176.922 176.094 0.048 0.000 1.029 508 V CA -0.394 61.929 62.300 0.039 0.000 0.870 508 V CB 1.312 33.159 31.823 0.040 0.000 0.984 508 V HN 0.946 nan 8.190 nan 0.000 0.451 509 A N 4.041 126.892 122.820 0.051 0.000 2.340 509 A HA 0.910 5.230 4.320 0.000 0.000 0.268 509 A C 0.729 178.365 177.584 0.085 0.000 1.100 509 A CA 0.543 52.617 52.037 0.061 0.000 0.803 509 A CB 0.513 19.547 19.000 0.056 0.000 1.043 509 A HN 1.997 nan 8.150 nan 0.000 0.488 510 G N -1.350 107.510 108.800 0.100 0.000 2.422 510 G HA2 0.104 4.064 3.960 0.000 0.000 0.607 510 G HA3 0.104 4.064 3.960 0.000 0.000 0.607 510 G C -0.088 174.904 174.900 0.152 0.000 1.270 510 G CA -0.304 44.883 45.100 0.145 0.000 0.992 510 G HN 1.887 nan 8.290 nan 0.000 0.499 511 c N 1.626 120.358 118.600 0.220 0.000 2.619 511 c HA 0.546 5.116 4.570 0.000 0.000 0.389 511 c C 2.496 176.707 174.090 0.201 0.000 1.314 511 c CA 1.067 57.525 56.329 0.215 0.000 1.678 511 c CB -1.038 41.666 42.510 0.323 0.000 2.398 511 c HN 1.370 nan 8.230 nan 0.000 0.582 512 T N 1.954 116.589 114.554 0.135 0.000 2.915 512 T HA -0.133 4.218 4.350 0.000 0.000 0.269 512 T C 1.257 176.056 174.700 0.165 0.000 1.071 512 T CA 1.288 63.469 62.100 0.136 0.000 1.132 512 T CB -0.180 68.734 68.868 0.077 0.000 0.878 512 T HN 0.870 nan 8.240 nan 0.000 0.479 513 Q N 1.199 121.055 119.800 0.094 0.000 2.415 513 Q HA 0.343 4.684 4.340 0.000 0.000 0.206 513 Q C 0.513 176.590 176.000 0.130 0.000 0.946 513 Q CA -0.065 55.712 55.803 -0.044 0.000 0.951 513 Q CB 0.360 29.071 28.738 -0.045 0.000 1.026 513 Q HN 0.680 nan 8.270 nan 0.000 0.510 514 G N -0.019 109.000 108.800 0.365 0.000 2.728 514 G HA2 0.603 4.563 3.960 0.000 0.000 0.294 514 G HA3 0.603 4.563 3.960 0.000 0.000 0.294 514 G C -1.732 173.329 174.900 0.268 0.000 1.398 514 G CA -0.179 45.193 45.100 0.453 0.000 1.183 514 G HN 0.115 nan 8.290 nan 0.000 0.578 515 A N 1.311 124.122 122.820 -0.014 0.000 2.566 515 A HA 0.976 5.296 4.320 0.000 0.000 0.292 515 A C -1.380 176.045 177.584 -0.265 0.000 1.112 515 A CA -0.904 50.952 52.037 -0.302 0.000 0.707 515 A CB 1.566 20.428 19.000 -0.230 0.000 1.302 515 A HN 2.002 nan 8.150 nan 0.000 0.409 516 Y N -1.193 118.930 120.300 -0.296 0.000 2.512 516 Y HA 0.847 5.397 4.550 0.000 0.000 0.348 516 Y C -0.243 175.692 175.900 0.058 0.000 0.990 516 Y CA -0.590 57.455 58.100 -0.092 0.000 1.033 516 Y CB 1.553 39.758 38.460 -0.426 0.000 1.259 516 Y HN 0.747 nan 8.280 nan 0.000 0.461 517 T N 0.434 114.953 114.554 -0.059 0.000 2.932 517 T HA 0.487 4.837 4.350 0.000 0.000 0.289 517 T C 0.379 175.047 174.700 -0.053 0.000 1.039 517 T CA 0.029 61.890 62.100 -0.398 0.000 1.024 517 T CB 1.274 69.506 68.868 -1.059 0.000 1.090 517 T HN 1.006 nan 8.240 nan 0.000 0.496 518 T N -0.228 114.275 114.554 -0.085 0.000 3.043 518 T HA 0.199 4.549 4.350 0.000 0.000 0.272 518 T C 0.459 175.128 174.700 -0.052 0.000 0.990 518 T CA -0.311 61.800 62.100 0.019 0.000 0.897 518 T CB -0.260 68.659 68.868 0.085 0.000 1.111 518 T HN 0.614 nan 8.240 nan 0.000 0.529 519 N N 0.515 119.130 118.700 -0.142 0.000 2.599 519 N HA 0.294 5.035 4.740 0.000 0.000 0.309 519 N C -0.217 175.215 175.510 -0.130 0.000 1.743 519 N CA -0.593 52.387 53.050 -0.117 0.000 0.918 519 N CB 0.260 38.679 38.487 -0.114 0.000 1.339 519 N HN 0.087 nan 8.380 nan 0.000 0.493 520 S N -0.361 115.271 115.700 -0.114 0.000 3.641 520 S HA -0.086 4.384 4.470 0.000 0.000 0.346 520 S C 1.185 175.782 174.600 -0.005 0.000 1.074 520 S CA 0.941 59.138 58.200 -0.004 0.000 1.026 520 S CB -1.783 61.463 63.200 0.076 0.000 0.908 520 S HN 1.427 nan 8.310 nan 0.000 0.479 521 G N 0.341 108.910 108.800 -0.385 0.000 2.179 521 G HA2 -0.340 3.620 3.960 0.000 0.000 0.257 521 G HA3 -0.340 3.620 3.960 0.000 0.000 0.257 521 G C 0.401 175.127 174.900 -0.289 0.000 1.010 521 G CA 0.602 45.335 45.100 -0.612 0.000 0.736 521 G HN 0.590 nan 8.290 nan 0.000 0.513 522 D N 0.079 120.346 120.400 -0.222 0.000 2.123 522 D HA 0.056 4.696 4.640 0.000 0.000 0.196 522 D C 1.794 178.002 176.300 -0.154 0.000 0.992 522 D CA 1.932 55.855 54.000 -0.128 0.000 0.833 522 D CB 0.028 40.769 40.800 -0.097 0.000 0.954 522 D HN 0.968 nan 8.370 nan 0.000 0.455 523 S N -1.793 113.727 115.700 -0.300 0.000 2.579 523 S HA 0.592 5.062 4.470 0.000 0.000 0.272 523 S C -1.626 172.683 174.600 -0.484 0.000 1.141 523 S CA -1.049 57.007 58.200 -0.240 0.000 0.843 523 S CB 1.365 64.486 63.200 -0.131 0.000 1.122 523 S HN 0.116 nan 8.310 nan 0.000 0.468 524 W N 0.538 121.727 121.300 -0.186 0.000 2.902 524 W HA 0.746 5.407 4.660 0.001 0.000 0.346 524 W C -0.071 176.233 176.519 -0.359 0.000 1.139 524 W CA -0.441 56.718 57.345 -0.311 0.000 1.139 524 W CB 1.933 31.210 29.460 -0.305 0.000 1.439 524 W HN 0.889 nan 8.180 nan 0.000 0.558 525 T N 0.284 114.651 114.554 -0.311 0.000 2.916 525 T HA 0.593 4.943 4.350 0.000 0.000 0.298 525 T C -0.903 173.612 174.700 -0.308 0.000 1.031 525 T CA -0.764 61.143 62.100 -0.322 0.000 0.993 525 T CB 0.521 69.175 68.868 -0.358 0.000 1.045 525 T HN 0.413 nan 8.240 nan 0.000 0.454 526 L N 3.934 125.108 121.223 -0.081 0.000 2.490 526 L HA 0.314 4.655 4.340 0.000 0.000 0.274 526 L C 0.531 177.497 176.870 0.159 0.000 1.201 526 L CA -0.629 54.229 54.840 0.030 0.000 0.869 526 L CB 0.004 42.128 42.059 0.108 0.000 1.123 526 L HN 0.668 nan 8.230 nan 0.000 0.484 527 F N 1.811 121.961 119.950 0.334 0.000 2.629 527 F HA -0.104 4.424 4.527 0.001 0.000 0.377 527 F C 1.746 177.737 175.800 0.317 0.000 1.101 527 F CA 0.250 58.488 58.000 0.396 0.000 1.301 527 F CB 0.338 39.650 39.000 0.521 0.000 1.062 527 F HN 0.612 nan 8.300 nan 0.000 0.583 528 Q N 0.569 120.667 119.800 0.496 0.000 2.135 528 Q HA -0.125 4.215 4.340 0.000 0.000 0.204 528 Q C 0.593 176.766 176.000 0.289 0.000 0.981 528 Q CA 1.662 57.650 55.803 0.308 0.000 0.856 528 Q CB -0.038 28.834 28.738 0.224 0.000 0.902 528 Q HN 0.780 nan 8.270 nan 0.000 0.425 529 T N -3.586 111.201 114.554 0.388 0.000 2.903 529 T HA 0.461 4.812 4.350 0.000 0.000 0.299 529 T C -0.374 174.558 174.700 0.388 0.000 1.093 529 T CA -1.097 61.196 62.100 0.322 0.000 1.002 529 T CB 1.563 70.587 68.868 0.259 0.000 1.127 529 T HN 0.039 nan 8.240 nan 0.000 0.488 530 c N 1.653 120.319 118.600 0.109 0.000 2.605 530 c HA 0.555 5.126 4.570 0.000 0.000 0.404 530 c C 1.375 175.095 174.090 -0.616 0.000 1.284 530 c CA -0.789 55.432 56.329 -0.180 0.000 2.199 530 c CB 0.289 42.679 42.510 -0.199 0.000 2.647 530 c HN 0.888 nan 8.230 nan 0.000 0.604 531 V N 5.479 124.555 119.914 -1.397 0.000 2.788 531 V HA 0.130 4.250 4.120 0.000 0.000 0.307 531 V C -1.765 173.693 176.094 -1.059 0.000 1.069 531 V CA -0.646 60.657 62.300 -1.662 0.000 1.173 531 V CB 0.711 31.099 31.823 -2.392 0.000 0.925 531 V HN 0.835 nan 8.190 nan 0.000 0.492 532 P HA 0.175 nan 4.420 nan 0.000 0.270 532 P C 0.471 177.452 177.300 -0.531 0.000 1.227 532 P CA 0.549 63.264 63.100 -0.641 0.000 0.788 532 P CB 0.398 31.754 31.700 -0.573 0.000 0.926 533 S N -2.737 112.768 115.700 -0.325 0.000 2.981 533 S HA -0.178 4.292 4.470 0.000 0.000 0.274 533 S C 0.409 174.854 174.600 -0.258 0.000 1.297 533 S CA 0.385 58.445 58.200 -0.232 0.000 1.266 533 S CB -2.045 61.063 63.200 -0.153 0.000 1.542 533 S HN 0.480 nan 8.310 nan 0.000 0.674 534 L N 2.296 123.304 121.223 -0.358 0.000 2.615 534 L HA 0.020 4.360 4.340 0.000 0.000 0.271 534 L C 0.965 177.712 176.870 -0.205 0.000 1.183 534 L CA 0.837 55.474 54.840 -0.339 0.000 0.933 534 L CB 0.242 42.053 42.059 -0.415 0.000 1.199 534 L HN 0.365 nan 8.230 nan 0.000 0.487 535 E N 2.611 122.719 120.200 -0.154 0.000 2.366 535 E HA -0.025 4.325 4.350 0.000 0.000 0.266 535 E C 0.675 177.209 176.600 -0.109 0.000 1.051 535 E CA -0.391 55.942 56.400 -0.112 0.000 0.884 535 E CB 1.934 31.585 29.700 -0.083 0.000 1.006 535 E HN 0.467 nan 8.360 nan 0.000 0.417 536 V N 3.024 122.878 119.914 -0.099 0.000 2.515 536 V HA -0.098 4.023 4.120 0.000 0.000 0.250 536 V C 1.514 177.545 176.094 -0.104 0.000 1.058 536 V CA 2.400 64.639 62.300 -0.102 0.000 1.064 536 V CB -0.197 31.570 31.823 -0.093 0.000 0.675 536 V HN 0.844 nan 8.190 nan 0.000 0.461 537 G N -0.143 108.605 108.800 -0.086 0.000 3.141 537 G HA2 0.097 4.058 3.960 0.000 0.000 0.218 537 G HA3 0.097 4.058 3.960 0.000 0.000 0.218 537 G C 0.307 175.170 174.900 -0.061 0.000 1.170 537 G CA 0.085 45.141 45.100 -0.073 0.000 0.769 537 G HN 0.476 nan 8.290 nan 0.000 0.546 538 N N -0.852 117.804 118.700 -0.075 0.000 2.600 538 N HA 0.139 4.879 4.740 0.000 0.000 0.272 538 N C 1.003 176.487 175.510 -0.044 0.000 1.095 538 N CA 0.144 53.159 53.050 -0.058 0.000 0.993 538 N CB 1.147 39.619 38.487 -0.026 0.000 1.603 538 N HN -0.063 nan 8.380 nan 0.000 0.526 539 G N 1.128 109.899 108.800 -0.047 0.000 2.484 539 G HA2 0.323 4.283 3.960 0.000 0.000 0.218 539 G HA3 0.323 4.283 3.960 0.000 0.000 0.218 539 G C 0.864 175.932 174.900 0.280 0.000 1.130 539 G CA 0.968 46.109 45.100 0.069 0.000 0.784 539 G HN 1.128 nan 8.290 nan 0.000 0.543 540 G N -1.190 107.701 108.800 0.152 0.000 2.542 540 G HA2 -0.055 3.905 3.960 0.000 0.000 0.235 540 G HA3 -0.055 3.905 3.960 0.000 0.000 0.235 540 G C -0.300 174.680 174.900 0.133 0.000 1.286 540 G CA -0.045 45.178 45.100 0.204 0.000 0.904 540 G HN 0.831 nan 8.290 nan 0.000 0.577 541 T N 0.956 115.607 114.554 0.161 0.000 2.812 541 T HA 0.621 4.972 4.350 0.000 0.000 0.282 541 T C -0.021 174.703 174.700 0.040 0.000 0.990 541 T CA 0.189 62.336 62.100 0.078 0.000 0.960 541 T CB 1.219 70.147 68.868 0.100 0.000 0.948 541 T HN 0.962 nan 8.240 nan 0.000 0.438 542 I N 1.133 121.670 120.570 -0.056 0.000 2.562 542 I HA 0.915 5.085 4.170 0.000 0.000 0.301 542 I C -0.032 176.141 176.117 0.094 0.000 1.003 542 I CA -1.254 60.018 61.300 -0.047 0.000 1.127 542 I CB 1.553 39.468 38.000 -0.143 0.000 1.304 542 I HN 0.673 nan 8.210 nan 0.000 0.446 543 A N 4.112 127.042 122.820 0.182 0.000 2.386 543 A HA 0.874 5.194 4.320 0.000 0.000 0.311 543 A C -1.054 176.755 177.584 0.375 0.000 1.068 543 A CA -0.709 51.495 52.037 0.277 0.000 0.743 543 A CB 1.693 20.940 19.000 0.412 0.000 1.258 543 A HN 0.542 nan 8.150 nan 0.000 0.429 544 V N 2.164 122.225 119.914 0.245 0.000 2.378 544 V HA 0.548 4.668 4.120 0.000 0.000 0.288 544 V C 1.068 177.146 176.094 -0.026 0.000 1.016 544 V CA -0.240 62.115 62.300 0.091 0.000 0.840 544 V CB 1.152 33.025 31.823 0.084 0.000 0.994 544 V HN 1.229 nan 8.190 nan 0.000 0.431 545 G N 3.162 111.933 108.800 -0.048 0.000 2.559 545 G HA2 0.320 4.280 3.960 0.000 0.000 0.235 545 G HA3 0.320 4.280 3.960 0.000 0.000 0.235 545 G C 1.167 175.943 174.900 -0.207 0.000 1.266 545 G CA 0.261 45.180 45.100 -0.301 0.000 0.847 545 G HN 1.061 nan 8.290 nan 0.000 0.583 546 A N 1.070 123.775 122.820 -0.192 0.000 1.940 546 A HA -0.131 4.189 4.320 0.000 0.000 0.219 546 A C 2.107 179.664 177.584 -0.045 0.000 1.176 546 A CA 2.106 54.096 52.037 -0.078 0.000 0.631 546 A CB -0.488 18.482 19.000 -0.050 0.000 0.814 546 A HN 0.640 nan 8.150 nan 0.000 0.446 547 D N -0.936 119.421 120.400 -0.072 0.000 2.218 547 D HA -0.170 4.470 4.640 0.000 0.000 0.194 547 D C 1.675 177.944 176.300 -0.052 0.000 1.007 547 D CA 2.123 56.087 54.000 -0.060 0.000 0.879 547 D CB -0.515 40.229 40.800 -0.093 0.000 0.918 547 D HN 0.752 nan 8.370 nan 0.000 0.449 548 G N -0.279 108.463 108.800 -0.097 0.000 2.168 548 G HA2 -0.377 3.583 3.960 0.000 0.000 0.263 548 G HA3 -0.377 3.583 3.960 0.000 0.000 0.263 548 G C 1.175 175.928 174.900 -0.246 0.000 0.977 548 G CA 1.038 46.073 45.100 -0.107 0.000 0.659 548 G HN 0.379 nan 8.290 nan 0.000 0.533 549 K N -0.140 120.079 120.400 -0.302 0.000 2.358 549 K HA 0.344 4.665 4.320 0.000 0.000 0.200 549 K C 0.485 176.795 176.600 -0.485 0.000 1.030 549 K CA 0.797 56.881 56.287 -0.339 0.000 1.097 549 K CB 0.919 33.327 32.500 -0.153 0.000 0.862 549 K HN 0.306 nan 8.250 nan 0.000 0.534 550 T N 0.155 114.365 114.554 -0.574 0.000 2.921 550 T HA 0.526 4.876 4.350 0.000 0.000 0.297 550 T C -1.245 173.179 174.700 -0.461 0.000 1.013 550 T CA -0.576 61.301 62.100 -0.372 0.000 0.990 550 T CB 0.997 69.835 68.868 -0.051 0.000 1.023 550 T HN -0.174 nan 8.240 nan 0.000 0.447 551 F N 1.447 121.419 119.950 0.037 0.000 2.507 551 F HA 0.663 5.191 4.527 0.000 0.000 0.325 551 F C -0.205 175.655 175.800 0.099 0.000 1.116 551 F CA -1.054 57.019 58.000 0.123 0.000 0.930 551 F CB 1.729 40.829 39.000 0.166 0.000 1.146 551 F HN 0.180 nan 8.300 nan 0.000 0.447 552 V N 2.562 122.568 119.914 0.154 0.000 2.448 552 V HA 0.287 4.408 4.120 0.000 0.000 0.295 552 V C -1.294 174.928 176.094 0.212 0.000 1.025 552 V CA -1.000 61.314 62.300 0.023 0.000 0.859 552 V CB 1.844 33.355 31.823 -0.519 0.000 0.988 552 V HN 0.876 nan 8.190 nan 0.000 0.431 553 W N 4.279 125.585 121.300 0.011 0.000 2.543 553 W HA 0.536 5.196 4.660 0.001 0.000 0.318 553 W C -0.126 176.336 176.519 -0.094 0.000 1.002 553 W CA -0.499 56.755 57.345 -0.151 0.000 1.302 553 W CB 1.793 30.873 29.460 -0.635 0.000 1.299 553 W HN 0.524 nan 8.180 nan 0.000 0.424 554 S N 7.850 123.791 115.700 0.401 0.000 2.448 554 S HA 0.441 4.911 4.470 0.000 0.000 0.320 554 S C -2.031 172.677 174.600 0.180 0.000 1.071 554 S CA -1.698 56.621 58.200 0.198 0.000 1.113 554 S CB 0.836 64.093 63.200 0.094 0.000 0.972 554 S HN 0.256 nan 8.310 nan 0.000 0.465 555 P HA 0.083 nan 4.420 nan 0.000 0.270 555 P C 0.586 177.875 177.300 -0.018 0.000 1.223 555 P CA -0.167 62.865 63.100 -0.113 0.000 0.785 555 P CB 0.529 32.094 31.700 -0.225 0.000 0.923 556 S N 0.164 115.852 115.700 -0.020 0.000 2.522 556 S HA -0.056 4.414 4.470 0.000 0.000 0.227 556 S C 0.716 175.302 174.600 -0.024 0.000 0.986 556 S CA 0.369 58.567 58.200 -0.004 0.000 0.929 556 S CB -0.648 62.550 63.200 -0.004 0.000 0.769 556 S HN 0.610 nan 8.310 nan 0.000 0.529 557 K N 0.409 120.782 120.400 -0.046 0.000 2.281 557 K HA 0.810 5.130 4.320 0.000 0.000 0.242 557 K C -0.487 176.083 176.600 -0.050 0.000 0.971 557 K CA -0.898 55.362 56.287 -0.046 0.000 0.834 557 K CB 1.676 34.144 32.500 -0.053 0.000 1.181 557 K HN -0.000 nan 8.250 nan 0.000 0.435 558 A N 1.355 124.146 122.820 -0.048 0.000 2.425 558 A HA 0.169 4.490 4.320 0.000 0.000 0.242 558 A C -0.133 177.420 177.584 -0.052 0.000 1.077 558 A CA 0.289 52.293 52.037 -0.055 0.000 0.781 558 A CB -0.012 18.955 19.000 -0.055 0.000 1.020 558 A HN 1.027 nan 8.150 nan 0.000 0.494 559 D N -1.148 119.220 120.400 -0.053 0.000 2.523 559 D HA 0.237 4.877 4.640 0.000 0.000 0.269 559 D C 0.789 177.062 176.300 -0.045 0.000 1.374 559 D CA 0.923 54.899 54.000 -0.040 0.000 0.820 559 D CB -0.597 40.192 40.800 -0.018 0.000 1.211 559 D HN 1.643 nan 8.370 nan 0.000 0.502 560 G N 0.578 109.338 108.800 -0.067 0.000 2.179 560 G HA2 -0.267 3.693 3.960 0.000 0.000 0.260 560 G HA3 -0.267 3.693 3.960 0.000 0.000 0.260 560 G C 0.161 174.995 174.900 -0.109 0.000 0.977 560 G CA 0.469 45.521 45.100 -0.079 0.000 0.641 560 G HN 0.423 nan 8.290 nan 0.000 0.533 561 K N 0.480 120.800 120.400 -0.133 0.000 2.211 561 K HA 0.709 5.029 4.320 0.000 0.000 0.237 561 K C 0.841 177.253 176.600 -0.313 0.000 1.002 561 K CA -0.056 56.090 56.287 -0.235 0.000 0.885 561 K CB 1.257 33.574 32.500 -0.306 0.000 1.136 561 K HN 0.326 nan 8.250 nan 0.000 0.448 562 G N 0.742 109.299 108.800 -0.405 0.000 2.537 562 G HA2 0.424 4.384 3.960 0.000 0.000 0.297 562 G HA3 0.424 4.384 3.960 0.000 0.000 0.297 562 G C -2.569 172.031 174.900 -0.499 0.000 1.310 562 G CA -1.422 43.419 45.100 -0.431 0.000 1.027 562 G HN 0.200 nan 8.290 nan 0.000 0.505 563 P HA 0.110 nan 4.420 nan 0.000 0.265 563 P C -1.020 176.150 177.300 -0.216 0.000 1.193 563 P CA 0.218 63.188 63.100 -0.217 0.000 0.765 563 P CB 0.191 31.825 31.700 -0.109 0.000 0.823 564 Y N 0.425 120.730 120.300 0.009 0.000 2.299 564 Y HA 0.415 4.965 4.550 0.000 0.000 0.326 564 Y C 1.499 177.561 175.900 0.270 0.000 1.164 564 Y CA 0.243 58.411 58.100 0.113 0.000 1.234 564 Y CB 0.793 39.305 38.460 0.086 0.000 1.219 564 Y HN 0.206 nan 8.280 nan 0.000 0.497 565 T N 1.439 116.206 114.554 0.356 0.000 2.918 565 T HA 0.635 4.986 4.350 0.000 0.000 0.286 565 T C -1.015 173.723 174.700 0.063 0.000 1.026 565 T CA -0.573 61.647 62.100 0.201 0.000 1.031 565 T CB 0.993 69.847 68.868 -0.024 0.000 1.046 565 T HN 0.582 nan 8.240 nan 0.000 0.479 566 S N 1.429 117.042 115.700 -0.145 0.000 2.572 566 S HA 0.517 4.987 4.470 0.000 0.000 0.274 566 S C -0.217 174.226 174.600 -0.261 0.000 1.150 566 S CA -0.609 57.316 58.200 -0.458 0.000 0.944 566 S CB 1.430 63.859 63.200 -1.286 0.000 1.071 566 S HN 0.594 nan 8.310 nan 0.000 0.479 567 S N 2.689 118.241 115.700 -0.247 0.000 2.663 567 S HA 0.195 4.665 4.470 0.000 0.000 0.243 567 S C -0.478 173.979 174.600 -0.237 0.000 1.009 567 S CA -0.364 57.702 58.200 -0.224 0.000 0.988 567 S CB 0.067 63.179 63.200 -0.146 0.000 0.896 567 S HN 0.821 nan 8.310 nan 0.000 0.502 568 D N -0.678 119.573 120.400 -0.248 0.000 2.837 568 D HA 0.124 4.764 4.640 0.000 0.000 0.340 568 D C -0.330 175.977 176.300 0.012 0.000 1.451 568 D CA -0.827 53.126 54.000 -0.078 0.000 0.798 568 D CB -1.146 39.621 40.800 -0.056 0.000 1.169 568 D HN 0.134 nan 8.370 nan 0.000 0.449 569 Y N 0.698 120.965 120.300 -0.055 0.000 3.721 569 Y HA -0.129 4.422 4.550 0.001 0.000 0.218 569 Y C 1.762 177.747 175.900 0.142 0.000 1.188 569 Y CA 1.110 59.176 58.100 -0.056 0.000 1.607 569 Y CB -1.736 36.605 38.460 -0.198 0.000 1.496 569 Y HN 0.580 nan 8.280 nan 0.000 0.626 570 G N -1.273 107.453 108.800 -0.123 0.000 2.176 570 G HA2 -0.367 3.593 3.960 0.000 0.000 0.232 570 G HA3 -0.367 3.593 3.960 0.000 0.000 0.232 570 G C 1.009 175.875 174.900 -0.058 0.000 0.986 570 G CA 0.427 45.454 45.100 -0.122 0.000 0.643 570 G HN 0.517 nan 8.290 nan 0.000 0.522 571 K N 0.496 120.852 120.400 -0.074 0.000 2.032 571 K HA 0.014 4.334 4.320 0.000 0.000 0.209 571 K C 1.340 177.876 176.600 -0.108 0.000 1.048 571 K CA 1.908 58.177 56.287 -0.031 0.000 0.927 571 K CB -0.131 32.367 32.500 -0.005 0.000 0.712 571 K HN 0.697 nan 8.250 nan 0.000 0.441 572 T N -2.880 111.506 114.554 -0.280 0.000 2.906 572 T HA 0.477 4.827 4.350 0.000 0.000 0.295 572 T C -1.376 172.994 174.700 -0.549 0.000 1.061 572 T CA -0.917 61.029 62.100 -0.257 0.000 1.000 572 T CB 1.056 69.845 68.868 -0.131 0.000 1.103 572 T HN 0.193 nan 8.240 nan 0.000 0.486 573 W N 1.070 122.345 121.300 -0.040 0.000 2.554 573 W HA 0.539 5.200 4.660 0.000 0.000 0.324 573 W C -0.528 176.032 176.519 0.069 0.000 1.018 573 W CA -0.665 56.664 57.345 -0.026 0.000 1.243 573 W CB 2.174 31.523 29.460 -0.184 0.000 1.345 573 W HN 0.684 nan 8.180 nan 0.000 0.441 574 T N 2.630 117.369 114.554 0.308 0.000 2.779 574 T HA 0.627 4.978 4.350 0.000 0.000 0.280 574 T C 0.182 175.015 174.700 0.221 0.000 0.987 574 T CA -0.581 61.652 62.100 0.222 0.000 0.966 574 T CB 1.275 70.190 68.868 0.078 0.000 0.933 574 T HN 0.483 nan 8.240 nan 0.000 0.442 575 A N 5.385 128.297 122.820 0.153 0.000 2.462 575 A HA 0.595 4.915 4.320 0.000 0.000 0.243 575 A C -1.981 175.547 177.584 -0.092 0.000 1.076 575 A CA -1.044 50.901 52.037 -0.154 0.000 0.773 575 A CB -0.285 18.625 19.000 -0.151 0.000 1.010 575 A HN 0.573 nan 8.150 nan 0.000 0.493 576 P HA 0.368 nan 4.420 nan 0.000 0.282 576 P C -0.566 176.712 177.300 -0.037 0.000 1.259 576 P CA -0.443 62.645 63.100 -0.020 0.000 0.826 576 P CB 1.321 33.102 31.700 0.135 0.000 1.064 577 S N -0.726 114.977 115.700 0.004 0.000 2.632 577 S HA 0.552 5.022 4.470 0.000 0.000 0.271 577 S C 1.313 175.931 174.600 0.030 0.000 1.260 577 S CA 0.277 58.477 58.200 -0.001 0.000 1.010 577 S CB 0.584 63.788 63.200 0.006 0.000 0.965 577 S HN 0.953 nan 8.310 nan 0.000 0.534 578 G N -0.239 108.563 108.800 0.004 0.000 2.640 578 G HA2 -0.234 3.727 3.960 0.000 0.000 0.226 578 G HA3 -0.234 3.727 3.960 0.000 0.000 0.226 578 G C -0.299 174.504 174.900 -0.162 0.000 1.222 578 G CA 0.287 45.406 45.100 0.032 0.000 0.729 578 G HN 0.751 nan 8.290 nan 0.000 0.516 579 L N 2.031 123.046 121.223 -0.347 0.000 2.319 579 L HA 0.843 5.183 4.340 0.000 0.000 0.281 579 L C 0.456 177.055 176.870 -0.452 0.000 1.005 579 L CA 0.039 54.459 54.840 -0.699 0.000 0.828 579 L CB 1.909 43.317 42.059 -1.084 0.000 1.227 579 L HN 0.121 nan 8.230 nan 0.000 0.415 580 S N 3.683 119.160 115.700 -0.371 0.000 2.624 580 S HA 0.395 4.866 4.470 0.000 0.000 0.246 580 S C -0.051 174.401 174.600 -0.248 0.000 1.072 580 S CA -0.434 57.605 58.200 -0.269 0.000 1.045 580 S CB -0.105 62.988 63.200 -0.179 0.000 0.851 580 S HN 0.514 nan 8.310 nan 0.000 0.480 581 K N 1.516 121.735 120.400 -0.302 0.000 2.371 581 K HA 0.414 4.734 4.320 0.000 0.000 0.251 581 K C -0.608 175.855 176.600 -0.229 0.000 0.934 581 K CA -0.794 55.356 56.287 -0.228 0.000 0.798 581 K CB 1.133 33.515 32.500 -0.197 0.000 1.204 581 K HN 0.011 nan 8.250 nan 0.000 0.427 582 Q N 1.527 121.234 119.800 -0.156 0.000 2.259 582 Q HA 0.363 4.703 4.340 0.000 0.000 0.249 582 Q C -0.409 175.547 176.000 -0.074 0.000 0.914 582 Q CA 0.009 55.742 55.803 -0.115 0.000 0.904 582 Q CB 1.683 30.375 28.738 -0.075 0.000 1.213 582 Q HN 0.749 nan 8.270 nan 0.000 0.428 583 T N -2.270 112.258 114.554 -0.043 0.000 2.843 583 T HA 0.300 4.651 4.350 0.000 0.000 0.302 583 T C 0.884 175.613 174.700 0.048 0.000 1.232 583 T CA -0.530 61.573 62.100 0.005 0.000 1.009 583 T CB 1.145 70.024 68.868 0.018 0.000 1.254 583 T HN 0.566 nan 8.240 nan 0.000 0.504 584 T N -2.237 112.361 114.554 0.074 0.000 3.067 584 T HA 0.198 4.548 4.350 0.000 0.000 0.261 584 T C 1.470 176.252 174.700 0.136 0.000 1.110 584 T CA 0.534 62.693 62.100 0.099 0.000 1.113 584 T CB -0.413 68.511 68.868 0.094 0.000 0.917 584 T HN 0.909 nan 8.240 nan 0.000 0.499 585 G N 1.813 110.705 108.800 0.154 0.000 3.458 585 G HA2 0.548 4.508 3.960 0.000 0.000 0.256 585 G HA3 0.548 4.508 3.960 0.000 0.000 0.256 585 G C -0.313 174.730 174.900 0.239 0.000 0.938 585 G CA -0.599 44.635 45.100 0.224 0.000 1.890 585 G HN 0.581 nan 8.290 nan 0.000 0.639 586 I N 0.481 121.185 120.570 0.224 0.000 2.608 586 I HA 0.710 4.880 4.170 0.000 0.000 0.295 586 I C -0.103 176.189 176.117 0.291 0.000 1.049 586 I CA -1.044 60.408 61.300 0.253 0.000 1.063 586 I CB 2.443 40.561 38.000 0.196 0.000 1.248 586 I HN 0.266 nan 8.210 nan 0.000 0.424 587 A N 3.712 126.753 122.820 0.370 0.000 2.520 587 A HA 0.883 5.203 4.320 0.000 0.000 0.298 587 A C -1.022 176.785 177.584 0.371 0.000 1.051 587 A CA -0.578 51.668 52.037 0.349 0.000 0.690 587 A CB 1.669 20.890 19.000 0.368 0.000 1.281 587 A HN 0.811 nan 8.150 nan 0.000 0.402 588 A N 1.131 124.066 122.820 0.191 0.000 2.304 588 A HA 0.591 4.912 4.320 0.000 0.000 0.301 588 A C 0.079 177.663 177.584 0.000 0.000 1.132 588 A CA -0.400 51.556 52.037 -0.134 0.000 0.819 588 A CB 0.315 19.097 19.000 -0.364 0.000 1.094 588 A HN 0.855 nan 8.150 nan 0.000 0.492 589 D N 0.144 120.510 120.400 -0.058 0.000 2.423 589 D HA 0.036 4.676 4.640 0.000 0.000 0.238 589 D C 0.449 176.753 176.300 0.007 0.000 1.142 589 D CA -0.045 54.023 54.000 0.115 0.000 0.884 589 D CB 0.600 41.460 40.800 0.100 0.000 1.199 589 D HN 0.405 nan 8.370 nan 0.000 0.438 590 R N 2.511 123.058 120.500 0.080 0.000 2.312 590 R HA 0.088 4.428 4.340 0.000 0.000 0.205 590 R C 1.050 177.396 176.300 0.077 0.000 0.904 590 R CA 0.147 56.300 56.100 0.089 0.000 1.052 590 R CB 0.273 30.674 30.300 0.169 0.000 1.014 590 R HN 0.306 nan 8.270 nan 0.000 0.503 591 V N -0.427 119.525 119.914 0.062 0.000 3.029 591 V HA 0.114 4.234 4.120 0.000 0.000 0.230 591 V C 0.775 176.899 176.094 0.051 0.000 1.254 591 V CA 0.040 62.376 62.300 0.060 0.000 1.276 591 V CB 0.189 32.050 31.823 0.064 0.000 1.080 591 V HN 0.100 nan 8.190 nan 0.000 0.495 592 Q N 1.022 120.865 119.800 0.072 0.000 2.288 592 Q HA 0.532 4.873 4.340 0.000 0.000 0.258 592 Q C 0.050 176.040 176.000 -0.017 0.000 0.957 592 Q CA -0.036 55.808 55.803 0.068 0.000 0.919 592 Q CB 1.288 30.136 28.738 0.183 0.000 1.185 592 Q HN 0.565 nan 8.270 nan 0.000 0.408 593 A N 4.112 126.908 122.820 -0.040 0.000 2.448 593 A HA 0.056 4.376 4.320 0.000 0.000 0.239 593 A C 0.233 177.741 177.584 -0.126 0.000 1.080 593 A CA 0.478 52.459 52.037 -0.094 0.000 0.779 593 A CB -0.058 18.904 19.000 -0.063 0.000 1.026 593 A HN 1.149 nan 8.150 nan 0.000 0.499 594 N N -1.746 116.856 118.700 -0.163 0.000 2.714 594 N HA -0.161 4.579 4.740 0.000 0.000 0.250 594 N C -0.193 175.245 175.510 -0.120 0.000 1.117 594 N CA 1.486 54.492 53.050 -0.074 0.000 0.719 594 N CB -1.134 37.336 38.487 -0.029 0.000 1.081 594 N HN 1.052 nan 8.380 nan 0.000 0.557 595 T N -1.150 113.173 114.554 -0.384 0.000 2.879 595 T HA 0.692 5.042 4.350 0.000 0.000 0.290 595 T C -1.067 173.194 174.700 -0.731 0.000 0.993 595 T CA -0.560 61.315 62.100 -0.375 0.000 0.975 595 T CB 0.649 69.393 68.868 -0.207 0.000 0.981 595 T HN 0.105 nan 8.240 nan 0.000 0.439 596 F N 3.165 122.873 119.950 -0.403 0.000 2.576 596 F HA 0.650 5.178 4.527 0.000 0.000 0.313 596 F C -0.855 174.731 175.800 -0.357 0.000 1.078 596 F CA -1.019 56.813 58.000 -0.280 0.000 0.921 596 F CB 1.910 40.895 39.000 -0.025 0.000 1.232 596 F HN 0.537 nan 8.300 nan 0.000 0.459 597 Y N 0.975 121.486 120.300 0.352 0.000 2.429 597 Y HA 0.754 5.305 4.550 0.000 0.000 0.342 597 Y C -0.634 175.378 175.900 0.187 0.000 1.004 597 Y CA -1.297 56.929 58.100 0.211 0.000 1.075 597 Y CB 1.956 40.610 38.460 0.324 0.000 1.214 597 Y HN 0.226 nan 8.280 nan 0.000 0.455 598 V N 3.157 123.152 119.914 0.136 0.000 2.569 598 V HA 0.241 4.361 4.120 0.000 0.000 0.301 598 V C -1.632 174.604 176.094 0.237 0.000 1.044 598 V CA -1.075 61.322 62.300 0.162 0.000 0.874 598 V CB 1.679 33.493 31.823 -0.014 0.000 1.002 598 V HN 0.693 nan 8.190 nan 0.000 0.424 599 Y N 4.861 125.295 120.300 0.223 0.000 2.345 599 Y HA 0.763 5.313 4.550 0.000 0.000 0.331 599 Y C -0.701 175.310 175.900 0.185 0.000 0.959 599 Y CA -0.613 57.645 58.100 0.264 0.000 1.204 599 Y CB 1.742 40.382 38.460 0.299 0.000 1.135 599 Y HN 0.473 nan 8.280 nan 0.000 0.477 600 V N 6.214 126.019 119.914 -0.181 0.000 2.733 600 V HA 0.315 4.435 4.120 0.000 0.000 0.306 600 V C -0.488 175.489 176.094 -0.196 0.000 1.084 600 V CA -0.684 61.545 62.300 -0.119 0.000 0.905 600 V CB 1.646 33.436 31.823 -0.055 0.000 1.010 600 V HN 0.910 nan 8.190 nan 0.000 0.424 601 E N 4.707 124.826 120.200 -0.135 0.000 2.238 601 E HA -0.282 4.068 4.350 0.000 0.000 0.219 601 E C 1.116 177.619 176.600 -0.161 0.000 1.275 601 E CA 0.835 57.172 56.400 -0.105 0.000 0.714 601 E CB -1.306 28.349 29.700 -0.075 0.000 1.154 601 E HN 1.760 nan 8.360 nan 0.000 0.363 602 G N -0.376 108.254 108.800 -0.283 0.000 2.217 602 G HA2 -0.256 3.704 3.960 0.000 0.000 0.246 602 G HA3 -0.256 3.704 3.960 0.000 0.000 0.246 602 G C -0.143 174.594 174.900 -0.271 0.000 0.990 602 G CA 0.282 45.271 45.100 -0.185 0.000 0.627 602 G HN 0.376 nan 8.290 nan 0.000 0.522 603 D N -0.391 119.809 120.400 -0.334 0.000 2.269 603 D HA 0.684 5.324 4.640 0.000 0.000 0.244 603 D C -0.828 175.368 176.300 -0.175 0.000 0.992 603 D CA -0.393 53.472 54.000 -0.225 0.000 0.894 603 D CB 1.939 42.632 40.800 -0.177 0.000 1.248 603 D HN 0.090 nan 8.370 nan 0.000 0.468 604 F N 1.124 120.858 119.950 -0.360 0.000 2.520 604 F HA 0.608 5.135 4.527 0.000 0.000 0.322 604 F C -1.627 173.976 175.800 -0.329 0.000 1.103 604 F CA -0.800 57.151 58.000 -0.082 0.000 0.926 604 F CB 1.033 40.073 39.000 0.066 0.000 1.154 604 F HN 0.149 nan 8.300 nan 0.000 0.453 605 F N 4.138 123.784 119.950 -0.506 0.000 2.601 605 F HA 0.713 5.240 4.527 0.000 0.000 0.309 605 F C -1.074 174.584 175.800 -0.237 0.000 1.089 605 F CA -1.092 56.775 58.000 -0.221 0.000 0.940 605 F CB 2.187 41.106 39.000 -0.134 0.000 1.273 605 F HN 0.191 nan 8.300 nan 0.000 0.450 606 V N 1.282 121.343 119.914 0.244 0.000 2.709 606 V HA 0.605 4.726 4.120 0.000 0.000 0.308 606 V C -0.802 175.355 176.094 0.105 0.000 1.062 606 V CA -0.746 61.666 62.300 0.186 0.000 0.901 606 V CB 2.063 34.039 31.823 0.256 0.000 1.003 606 V HN 0.743 nan 8.190 nan 0.000 0.425 607 S N 1.533 117.156 115.700 -0.129 0.000 2.473 607 S HA 0.556 5.026 4.470 0.000 0.000 0.307 607 S C 0.688 175.177 174.600 -0.186 0.000 1.094 607 S CA 0.191 58.179 58.200 -0.354 0.000 1.070 607 S CB 1.545 64.227 63.200 -0.864 0.000 1.019 607 S HN 1.021 nan 8.310 nan 0.000 0.480 608 T N -0.196 114.271 114.554 -0.145 0.000 3.044 608 T HA 0.162 4.512 4.350 0.000 0.000 0.260 608 T C 0.212 174.854 174.700 -0.097 0.000 1.019 608 T CA -0.008 62.025 62.100 -0.112 0.000 0.921 608 T CB -0.203 68.599 68.868 -0.112 0.000 1.053 608 T HN 0.598 nan 8.240 nan 0.000 0.533 609 D N 1.148 121.480 120.400 -0.113 0.000 2.587 609 D HA 0.367 5.007 4.640 0.000 0.000 0.233 609 D C 1.439 177.693 176.300 -0.076 0.000 1.213 609 D CA -0.257 53.689 54.000 -0.091 0.000 0.827 609 D CB -0.485 40.260 40.800 -0.092 0.000 1.006 609 D HN 0.416 nan 8.370 nan 0.000 0.490 610 G N -0.476 108.314 108.800 -0.016 0.000 2.153 610 G HA2 -0.107 3.853 3.960 0.000 0.000 0.252 610 G HA3 -0.107 3.853 3.960 0.000 0.000 0.252 610 G C 1.137 175.997 174.900 -0.067 0.000 0.994 610 G CA 0.271 45.419 45.100 0.079 0.000 0.698 610 G HN 1.461 nan 8.290 nan 0.000 0.521 611 G N -1.088 107.572 108.800 -0.233 0.000 2.176 611 G HA2 -0.256 3.704 3.960 0.000 0.000 0.232 611 G HA3 -0.256 3.704 3.960 0.000 0.000 0.232 611 G C 1.062 175.801 174.900 -0.268 0.000 0.986 611 G CA 1.153 45.991 45.100 -0.436 0.000 0.643 611 G HN 0.882 nan 8.290 nan 0.000 0.522 612 K N 0.335 120.619 120.400 -0.192 0.000 2.097 612 K HA 0.123 4.443 4.320 0.000 0.000 0.206 612 K C 1.230 177.778 176.600 -0.088 0.000 1.049 612 K CA 1.494 57.719 56.287 -0.103 0.000 0.933 612 K CB -0.107 32.345 32.500 -0.080 0.000 0.717 612 K HN 0.837 nan 8.250 nan 0.000 0.442 613 S N -0.984 114.614 115.700 -0.169 0.000 2.533 613 S HA 0.493 4.964 4.470 0.000 0.000 0.271 613 S C -1.292 173.201 174.600 -0.179 0.000 1.143 613 S CA -1.131 57.025 58.200 -0.072 0.000 0.891 613 S CB 0.888 64.065 63.200 -0.039 0.000 1.105 613 S HN 0.047 nan 8.310 nan 0.000 0.468 614 Y N 0.303 120.596 120.300 -0.011 0.000 2.630 614 Y HA 0.808 5.358 4.550 0.000 0.000 0.337 614 Y C 0.419 176.396 175.900 0.129 0.000 1.051 614 Y CA -0.758 57.374 58.100 0.054 0.000 1.121 614 Y CB 2.472 40.948 38.460 0.027 0.000 1.299 614 Y HN 0.786 nan 8.280 nan 0.000 0.498 615 T N 1.065 115.839 114.554 0.366 0.000 2.971 615 T HA 0.224 4.574 4.350 0.000 0.000 0.304 615 T C -1.075 173.768 174.700 0.237 0.000 1.038 615 T CA -1.124 61.140 62.100 0.273 0.000 1.007 615 T CB 1.302 70.260 68.868 0.149 0.000 1.055 615 T HN 0.390 nan 8.240 nan 0.000 0.451 616 K N 3.549 124.006 120.400 0.095 0.000 2.436 616 K HA 0.191 4.511 4.320 0.000 0.000 0.282 616 K C 0.028 176.590 176.600 -0.063 0.000 1.044 616 K CA 0.398 56.496 56.287 -0.315 0.000 1.028 616 K CB 0.280 32.545 32.500 -0.392 0.000 0.919 616 K HN 0.505 nan 8.250 nan 0.000 0.474 617 K N 1.509 121.941 120.400 0.054 0.000 1.815 617 K HA 0.352 4.673 4.320 0.000 0.000 0.292 617 K C 0.029 176.815 176.600 0.310 0.000 0.932 617 K CA -0.424 56.005 56.287 0.236 0.000 0.802 617 K CB 0.649 33.364 32.500 0.359 0.000 3.215 617 K HN 0.692 nan 8.250 nan 0.000 1.129 618 G N 2.446 111.487 108.800 0.402 0.000 2.256 618 G HA2 -0.233 3.728 3.960 0.000 0.000 0.272 618 G HA3 -0.233 3.728 3.960 0.000 0.000 0.272 618 G C -0.378 174.589 174.900 0.111 0.000 1.076 618 G CA 0.516 45.751 45.100 0.224 0.000 0.882 618 G HN 0.485 nan 8.290 nan 0.000 0.497 619 N N 0.258 119.032 118.700 0.123 0.000 2.447 619 N HA 0.456 5.196 4.740 0.000 0.000 0.263 619 N C 1.580 177.135 175.510 0.074 0.000 1.226 619 N CA 2.113 55.203 53.050 0.066 0.000 0.906 619 N CB 0.328 38.846 38.487 0.053 0.000 1.060 619 N HN 1.469 nan 8.380 nan 0.000 0.468 620 G N 2.188 111.005 108.800 0.028 0.000 2.218 620 G HA2 -0.221 3.740 3.960 0.000 0.000 0.216 620 G HA3 -0.221 3.740 3.960 0.000 0.000 0.216 620 G C 0.053 174.916 174.900 -0.060 0.000 0.994 620 G CA -0.032 45.092 45.100 0.040 0.000 0.637 620 G HN 0.537 nan 8.290 nan 0.000 0.505 621 L N 2.704 123.788 121.223 -0.233 0.000 2.464 621 L HA 0.385 4.726 4.340 0.000 0.000 0.264 621 L C -1.222 175.391 176.870 -0.429 0.000 1.199 621 L CA -1.755 52.718 54.840 -0.611 0.000 0.818 621 L CB 0.186 41.897 42.059 -0.579 0.000 1.102 621 L HN -0.004 nan 8.230 nan 0.000 0.473 622 P HA -0.071 nan 4.420 nan 0.000 0.264 622 P C 0.077 177.398 177.300 0.034 0.000 1.193 622 P CA -0.133 62.836 63.100 -0.220 0.000 0.763 622 P CB 0.450 31.902 31.700 -0.414 0.000 0.810 623 C N 1.470 120.840 119.300 0.117 0.000 3.183 623 C HA 0.302 4.762 4.460 0.000 0.000 0.285 623 C C 1.827 176.879 174.990 0.102 0.000 1.313 623 C CA 0.499 59.568 59.018 0.085 0.000 1.711 623 C CB -1.542 26.223 27.740 0.041 0.000 2.135 623 C HN 0.721 nan 8.230 nan 0.000 0.651 624 C N -2.557 116.856 119.300 0.188 0.000 2.726 624 C HA 0.376 4.836 4.460 0.000 0.000 0.380 624 C C 1.370 176.331 174.990 -0.048 0.000 1.691 624 C CA -0.244 58.823 59.018 0.080 0.000 2.388 624 C CB -0.974 26.837 27.740 0.118 0.000 2.227 624 C HN 0.696 nan 8.230 nan 0.000 0.647 625 W N 3.370 124.559 121.300 -0.184 0.000 1.975 625 W HA 0.312 4.972 4.660 0.000 0.000 0.359 625 W C 0.400 176.586 176.519 -0.554 0.000 1.363 625 W CA 1.287 58.343 57.345 -0.482 0.000 1.376 625 W CB 0.515 29.578 29.460 -0.662 0.000 1.231 625 W HN 0.497 nan 8.180 nan 0.000 0.641 626 T N 0.783 115.156 114.554 -0.301 0.000 3.629 626 T HA 0.218 4.568 4.350 0.000 0.000 0.317 626 T C -0.513 174.152 174.700 -0.058 0.000 1.690 626 T CA -0.368 61.629 62.100 -0.172 0.000 1.276 626 T CB -0.977 67.814 68.868 -0.129 0.000 1.205 626 T HN 0.105 nan 8.240 nan 0.000 0.824 627 Y N 1.775 122.153 120.300 0.131 0.000 2.357 627 Y HA 0.404 4.954 4.550 0.000 0.000 0.340 627 Y C 1.592 177.597 175.900 0.175 0.000 1.260 627 Y CA -0.634 57.576 58.100 0.185 0.000 1.425 627 Y CB 0.486 39.098 38.460 0.253 0.000 1.326 627 Y HN 0.511 nan 8.280 nan 0.000 0.580 628 T N -0.636 114.144 114.554 0.375 0.000 2.929 628 T HA 0.874 5.224 4.350 0.000 0.000 0.284 628 T C -0.026 174.925 174.700 0.418 0.000 1.014 628 T CA -0.160 62.134 62.100 0.323 0.000 1.051 628 T CB 1.484 70.472 68.868 0.199 0.000 1.028 628 T HN 1.041 nan 8.240 nan 0.000 0.485 629 G N 0.440 109.509 108.800 0.450 0.000 2.523 629 G HA2 0.530 4.490 3.960 0.000 0.000 0.291 629 G HA3 0.530 4.490 3.960 0.000 0.000 0.291 629 G C -1.325 173.746 174.900 0.284 0.000 1.450 629 G CA -0.800 44.478 45.100 0.297 0.000 0.790 629 G HN 0.816 nan 8.290 nan 0.000 0.496 630 T N 2.760 117.413 114.554 0.165 0.000 2.809 630 T HA 0.656 5.006 4.350 0.000 0.000 0.284 630 T C -2.703 172.137 174.700 0.234 0.000 0.992 630 T CA -0.859 61.376 62.100 0.224 0.000 0.957 630 T CB 2.188 71.196 68.868 0.233 0.000 0.942 630 T HN 0.366 nan 8.240 nan 0.000 0.439 631 P HA 0.489 nan 4.420 nan 0.000 0.279 631 P C -1.121 176.404 177.300 0.375 0.000 1.239 631 P CA -0.521 62.799 63.100 0.366 0.000 0.789 631 P CB 0.843 32.829 31.700 0.478 0.000 0.933 632 V N 2.338 122.511 119.914 0.431 0.000 2.569 632 V HA 0.403 4.523 4.120 0.000 0.000 0.301 632 V C 0.165 176.557 176.094 0.496 0.000 1.044 632 V CA -0.538 62.036 62.300 0.457 0.000 0.874 632 V CB 1.962 34.103 31.823 0.530 0.000 1.002 632 V HN 0.688 nan 8.190 nan 0.000 0.424 633 T N 0.897 115.681 114.554 0.384 0.000 2.867 633 T HA 0.522 4.872 4.350 0.000 0.000 0.282 633 T C 0.257 175.181 174.700 0.372 0.000 1.000 633 T CA -0.471 61.825 62.100 0.326 0.000 1.042 633 T CB 1.631 70.662 68.868 0.271 0.000 0.973 633 T HN 0.669 nan 8.240 nan 0.000 0.465 634 S N 1.511 117.432 115.700 0.368 0.000 2.552 634 S HA 0.016 4.486 4.470 0.000 0.000 0.289 634 S C 1.050 175.798 174.600 0.247 0.000 1.304 634 S CA -0.327 58.090 58.200 0.362 0.000 1.063 634 S CB -0.448 62.894 63.200 0.237 0.000 0.848 634 S HN 0.763 nan 8.310 nan 0.000 0.499 635 N N 3.441 122.284 118.700 0.238 0.000 2.457 635 N HA 0.131 4.872 4.740 0.000 0.000 0.180 635 N C 1.107 176.707 175.510 0.151 0.000 1.050 635 N CA 0.631 53.803 53.050 0.203 0.000 0.906 635 N CB 0.013 38.618 38.487 0.197 0.000 0.968 635 N HN 0.528 nan 8.380 nan 0.000 0.445 636 L N -0.888 120.417 121.223 0.137 0.000 2.609 636 L HA 0.289 4.629 4.340 0.000 0.000 0.230 636 L C 0.255 177.167 176.870 0.069 0.000 1.064 636 L CA 0.201 55.099 54.840 0.098 0.000 0.873 636 L CB 0.434 42.551 42.059 0.096 0.000 1.139 636 L HN -0.048 nan 8.230 nan 0.000 0.490 637 R N -0.053 120.481 120.500 0.056 0.000 2.686 637 R HA 0.619 4.960 4.340 0.000 0.000 0.283 637 R C -0.615 175.660 176.300 -0.041 0.000 0.978 637 R CA -0.525 55.577 56.100 0.004 0.000 0.897 637 R CB 2.151 32.436 30.300 -0.025 0.000 1.192 637 R HN -0.021 nan 8.270 nan 0.000 0.457 638 A N 0.874 123.662 122.820 -0.053 0.000 2.425 638 A HA 0.464 4.784 4.320 0.000 0.000 0.249 638 A C 1.173 178.419 177.584 -0.563 0.000 1.084 638 A CA 0.684 52.650 52.037 -0.118 0.000 0.781 638 A CB -0.081 18.976 19.000 0.095 0.000 1.019 638 A HN 0.972 nan 8.150 nan 0.000 0.490 639 G N 0.587 108.866 108.800 -0.868 0.000 2.166 639 G HA2 -0.262 3.699 3.960 0.000 0.000 0.260 639 G HA3 -0.262 3.699 3.960 0.000 0.000 0.260 639 G C 0.150 174.565 174.900 -0.808 0.000 0.986 639 G CA 0.804 44.988 45.100 -1.528 0.000 0.683 639 G HN 1.122 nan 8.290 nan 0.000 0.527 640 E N 0.064 119.962 120.200 -0.503 0.000 2.174 640 E HA 0.663 5.014 4.350 0.000 0.000 0.282 640 E C 0.406 176.779 176.600 -0.379 0.000 0.992 640 E CA -0.811 55.317 56.400 -0.454 0.000 0.803 640 E CB 0.480 30.003 29.700 -0.294 0.000 1.090 640 E HN 0.802 nan 8.360 nan 0.000 0.396 641 L N 1.146 122.053 121.223 -0.526 0.000 2.600 641 L HA 0.724 5.064 4.340 0.000 0.000 0.257 641 L C -1.312 175.450 176.870 -0.181 0.000 1.048 641 L CA -1.026 53.685 54.840 -0.216 0.000 0.869 641 L CB 1.603 43.534 42.059 -0.214 0.000 1.482 641 L HN 0.481 nan 8.230 nan 0.000 0.408 642 W N 0.511 121.953 121.300 0.237 0.000 2.781 642 W HA 0.754 5.414 4.660 0.000 0.000 0.345 642 W C -1.334 175.277 176.519 0.154 0.000 1.085 642 W CA -0.956 56.529 57.345 0.233 0.000 1.198 642 W CB 2.446 32.017 29.460 0.185 0.000 1.423 642 W HN 0.230 nan 8.180 nan 0.000 0.532 643 V N 1.848 121.899 119.914 0.228 0.000 2.443 643 V HA 0.109 4.230 4.120 0.000 0.000 0.293 643 V C 0.033 176.035 176.094 -0.153 0.000 1.021 643 V CA -0.637 61.626 62.300 -0.061 0.000 0.848 643 V CB 1.474 33.013 31.823 -0.474 0.000 0.998 643 V HN 0.504 nan 8.190 nan 0.000 0.424 644 S N 4.806 120.399 115.700 -0.179 0.000 2.416 644 S HA 0.448 4.919 4.470 0.000 0.000 0.287 644 S C -0.337 174.198 174.600 -0.110 0.000 1.139 644 S CA -0.432 57.650 58.200 -0.197 0.000 1.058 644 S CB 0.525 63.650 63.200 -0.125 0.000 0.967 644 S HN 0.502 nan 8.310 nan 0.000 0.495 645 V N 7.491 127.352 119.914 -0.088 0.000 2.385 645 V HA 0.300 4.420 4.120 0.000 0.000 0.269 645 V C 0.707 176.812 176.094 0.017 0.000 1.043 645 V CA -0.785 61.480 62.300 -0.059 0.000 0.906 645 V CB 0.913 32.648 31.823 -0.146 0.000 0.995 645 V HN 0.801 nan 8.190 nan 0.000 0.467 646 K N 3.719 124.172 120.400 0.089 0.000 2.430 646 K HA 0.232 4.553 4.320 0.000 0.000 0.280 646 K C 1.275 177.931 176.600 0.093 0.000 1.063 646 K CA 1.130 57.478 56.287 0.101 0.000 1.071 646 K CB -0.083 32.498 32.500 0.135 0.000 0.899 646 K HN 1.112 nan 8.250 nan 0.000 0.473 647 G N 2.167 111.002 108.800 0.058 0.000 2.199 647 G HA2 -0.301 3.660 3.960 0.000 0.000 0.254 647 G HA3 -0.301 3.660 3.960 0.000 0.000 0.254 647 G C 0.439 175.351 174.900 0.020 0.000 0.982 647 G CA 0.444 45.574 45.100 0.050 0.000 0.632 647 G HN 0.666 nan 8.290 nan 0.000 0.529 648 V N -1.062 118.845 119.914 -0.012 0.000 3.103 648 V HA 0.779 4.899 4.120 0.000 0.000 0.229 648 V C 0.997 177.069 176.094 -0.036 0.000 1.304 648 V CA 2.048 64.320 62.300 -0.046 0.000 1.298 648 V CB 0.994 32.704 31.823 -0.189 0.000 1.093 648 V HN 2.095 nan 8.190 nan 0.000 0.489 649 G N -0.021 108.763 108.800 -0.027 0.000 2.320 649 G HA2 0.432 4.393 3.960 0.000 0.000 0.296 649 G HA3 0.432 4.393 3.960 0.000 0.000 0.296 649 G C -1.989 172.781 174.900 -0.215 0.000 1.306 649 G CA -0.374 44.633 45.100 -0.155 0.000 0.836 649 G HN 0.386 nan 8.290 nan 0.000 0.517 650 I N 0.122 120.392 120.570 -0.501 0.000 2.465 650 I HA 0.530 4.700 4.170 0.000 0.000 0.291 650 I C -1.333 174.436 176.117 -0.580 0.000 1.014 650 I CA -0.813 60.242 61.300 -0.407 0.000 1.093 650 I CB 2.150 39.934 38.000 -0.361 0.000 1.267 650 I HN 0.428 nan 8.210 nan 0.000 0.431 651 Y N 3.703 123.972 120.300 -0.052 0.000 2.425 651 Y HA 0.435 4.985 4.550 0.000 0.000 0.344 651 Y C -0.228 175.828 175.900 0.259 0.000 0.969 651 Y CA -0.703 57.441 58.100 0.073 0.000 1.052 651 Y CB 1.579 39.996 38.460 -0.072 0.000 1.215 651 Y HN 0.481 nan 8.280 nan 0.000 0.451 652 H N 1.556 120.705 119.070 0.132 0.000 2.505 652 H HA 0.595 5.151 4.556 0.000 0.000 0.338 652 H C -1.269 173.780 175.328 -0.465 0.000 1.057 652 H CA -0.356 55.504 56.048 -0.314 0.000 1.202 652 H CB 1.794 31.316 29.762 -0.400 0.000 1.466 652 H HN 0.674 nan 8.280 nan 0.000 0.499 653 S N 2.566 117.612 115.700 -1.091 0.000 2.513 653 S HA 0.228 4.698 4.470 0.000 0.000 0.299 653 S C 0.585 174.537 174.600 -1.079 0.000 1.087 653 S CA -0.272 57.209 58.200 -1.197 0.000 1.012 653 S CB 1.299 63.488 63.200 -1.686 0.000 1.044 653 S HN 0.828 nan 8.310 nan 0.000 0.485 654 T N -0.380 113.699 114.554 -0.792 0.000 3.040 654 T HA 0.226 4.576 4.350 0.000 0.000 0.266 654 T C -0.092 174.374 174.700 -0.390 0.000 1.005 654 T CA -0.127 61.628 62.100 -0.574 0.000 0.906 654 T CB -0.192 68.410 68.868 -0.443 0.000 1.082 654 T HN 0.613 nan 8.240 nan 0.000 0.531 655 D N 0.797 121.001 120.400 -0.327 0.000 3.008 655 D HA 0.213 4.854 4.640 0.000 0.000 0.312 655 D C 0.008 176.412 176.300 0.174 0.000 1.361 655 D CA -1.357 52.624 54.000 -0.032 0.000 0.858 655 D CB -1.203 39.589 40.800 -0.014 0.000 1.098 655 D HN 0.288 nan 8.370 nan 0.000 0.482 656 F N 0.363 120.256 119.950 -0.095 0.000 3.034 656 F HA -0.166 4.361 4.527 0.000 0.000 0.286 656 F C 1.697 177.619 175.800 0.204 0.000 0.804 656 F CA 0.733 58.808 58.000 0.126 0.000 1.161 656 F CB -1.595 37.521 39.000 0.193 0.000 1.317 656 F HN 0.505 nan 8.300 nan 0.000 0.453 657 G N -0.834 107.951 108.800 -0.026 0.000 2.175 657 G HA2 -0.363 3.598 3.960 0.000 0.000 0.244 657 G HA3 -0.363 3.598 3.960 0.000 0.000 0.244 657 G C 0.952 175.934 174.900 0.135 0.000 0.982 657 G CA 0.307 45.404 45.100 -0.006 0.000 0.641 657 G HN 0.497 nan 8.290 nan 0.000 0.527 658 N N 0.100 118.858 118.700 0.096 0.000 2.205 658 N HA -0.060 4.680 4.740 0.000 0.000 0.186 658 N C 0.123 175.639 175.510 0.009 0.000 1.015 658 N CA 1.704 54.804 53.050 0.084 0.000 0.862 658 N CB -0.004 38.521 38.487 0.063 0.000 0.986 658 N HN 0.506 nan 8.380 nan 0.000 0.429 659 T N 0.580 115.043 114.554 -0.152 0.000 3.031 659 T HA 0.404 4.755 4.350 0.000 0.000 0.305 659 T C -1.038 173.437 174.700 -0.375 0.000 0.985 659 T CA -0.524 61.479 62.100 -0.161 0.000 1.008 659 T CB 0.985 69.768 68.868 -0.142 0.000 1.005 659 T HN -0.112 nan 8.240 nan 0.000 0.444 660 F N 1.618 121.471 119.950 -0.161 0.000 2.469 660 F HA 0.572 5.100 4.527 0.000 0.000 0.332 660 F C 0.741 176.514 175.800 -0.045 0.000 1.103 660 F CA -0.615 57.290 58.000 -0.158 0.000 0.979 660 F CB 2.165 41.041 39.000 -0.205 0.000 1.137 660 F HN 0.334 nan 8.300 nan 0.000 0.463 661 T N 3.048 117.687 114.554 0.143 0.000 2.786 661 T HA 0.583 4.933 4.350 0.000 0.000 0.283 661 T C -0.175 174.620 174.700 0.158 0.000 0.992 661 T CA -0.637 61.536 62.100 0.121 0.000 0.954 661 T CB 1.179 70.063 68.868 0.025 0.000 0.934 661 T HN 0.734 nan 8.240 nan 0.000 0.440 662 A N 3.819 126.728 122.820 0.148 0.000 2.540 662 A HA 0.393 4.714 4.320 0.000 0.000 0.239 662 A C 0.131 177.645 177.584 -0.117 0.000 1.061 662 A CA -0.179 51.778 52.037 -0.134 0.000 0.758 662 A CB -0.232 18.730 19.000 -0.063 0.000 0.991 662 A HN 0.694 nan 8.150 nan 0.000 0.502 663 L N 1.827 122.935 121.223 -0.191 0.000 2.436 663 L HA 0.433 4.773 4.340 0.000 0.000 0.265 663 L C 1.221 178.055 176.870 -0.060 0.000 1.168 663 L CA 0.724 55.527 54.840 -0.061 0.000 0.815 663 L CB 0.444 42.513 42.059 0.017 0.000 1.109 663 L HN 0.840 nan 8.230 nan 0.000 0.462 664 A N 1.996 124.813 122.820 -0.004 0.000 2.584 664 A HA 0.367 4.687 4.320 0.000 0.000 0.239 664 A C 1.370 178.961 177.584 0.011 0.000 1.043 664 A CA 0.708 52.749 52.037 0.006 0.000 0.756 664 A CB -0.892 18.119 19.000 0.019 0.000 0.963 664 A HN 1.352 nan 8.150 nan 0.000 0.511 665 G N 1.546 110.338 108.800 -0.015 0.000 2.234 665 G HA2 -0.238 3.722 3.960 0.000 0.000 0.260 665 G HA3 -0.238 3.722 3.960 0.000 0.000 0.260 665 G C 0.734 175.598 174.900 -0.060 0.000 0.987 665 G CA 0.635 45.718 45.100 -0.029 0.000 0.625 665 G HN 1.610 nan 8.290 nan 0.000 0.532 666 S N 0.632 116.272 115.700 -0.100 0.000 2.673 666 S HA 0.408 4.879 4.470 0.000 0.000 0.308 666 S C 1.721 176.289 174.600 -0.054 0.000 1.246 666 S CA 1.954 60.059 58.200 -0.157 0.000 1.077 666 S CB 0.027 63.027 63.200 -0.333 0.000 0.814 666 S HN 2.217 nan 8.310 nan 0.000 0.503 667 G N 2.653 111.439 108.800 -0.023 0.000 2.176 667 G HA2 -0.288 3.672 3.960 0.000 0.000 0.253 667 G HA3 -0.288 3.672 3.960 0.000 0.000 0.253 667 G C 0.530 175.433 174.900 0.004 0.000 0.979 667 G CA 0.954 46.063 45.100 0.015 0.000 0.641 667 G HN 1.284 nan 8.290 nan 0.000 0.530 668 S N -1.235 114.455 115.700 -0.016 0.000 4.163 668 S HA 0.407 4.878 4.470 0.000 0.000 0.164 668 S C 2.083 176.664 174.600 -0.032 0.000 0.896 668 S CA 1.306 59.496 58.200 -0.016 0.000 1.125 668 S CB -0.323 62.871 63.200 -0.011 0.000 1.698 668 S HN 1.349 nan 8.310 nan 0.000 0.817 669 S N 0.992 116.665 115.700 -0.044 0.000 2.501 669 S HA 0.342 4.812 4.470 0.000 0.000 0.220 669 S C 0.663 175.203 174.600 -0.100 0.000 0.997 669 S CA -0.358 57.804 58.200 -0.063 0.000 0.919 669 S CB -0.650 62.512 63.200 -0.062 0.000 0.778 669 S HN 0.511 nan 8.310 nan 0.000 0.523 670 L N 3.209 124.370 121.223 -0.104 0.000 2.369 670 L HA 0.369 4.709 4.340 0.000 0.000 0.279 670 L C -0.584 176.207 176.870 -0.131 0.000 1.108 670 L CA -0.173 54.577 54.840 -0.151 0.000 0.852 670 L CB 0.484 42.460 42.059 -0.138 0.000 1.169 670 L HN 0.240 nan 8.230 nan 0.000 0.452 671 N N 7.147 125.755 118.700 -0.153 0.000 2.716 671 N HA 0.367 5.107 4.740 0.000 0.000 0.253 671 N C -2.793 172.664 175.510 -0.089 0.000 1.170 671 N CA -1.704 51.290 53.050 -0.094 0.000 0.807 671 N CB 1.518 39.969 38.487 -0.059 0.000 1.183 671 N HN 0.193 nan 8.380 nan 0.000 0.524 672 P HA 0.254 nan 4.420 nan 0.000 0.285 672 P C -0.076 177.269 177.300 0.075 0.000 1.259 672 P CA -0.265 62.825 63.100 -0.018 0.000 0.794 672 P CB 1.893 33.581 31.700 -0.019 0.000 0.940 673 A N 4.003 126.917 122.820 0.156 0.000 1.887 673 A HA 0.279 4.599 4.320 0.000 0.000 0.210 673 A C 0.850 178.562 177.584 0.214 0.000 1.221 673 A CA 1.333 53.496 52.037 0.209 0.000 0.635 673 A CB -0.436 18.755 19.000 0.319 0.000 0.881 673 A HN 0.504 nan 8.150 nan 0.000 0.456 674 V N -4.204 115.871 119.914 0.267 0.000 2.971 674 V HA 0.803 4.923 4.120 0.000 0.000 0.309 674 V C -0.913 175.379 176.094 0.331 0.000 1.130 674 V CA -0.986 61.471 62.300 0.262 0.000 0.964 674 V CB 1.416 33.360 31.823 0.201 0.000 1.029 674 V HN 0.535 nan 8.190 nan 0.000 0.427 675 F N 1.859 121.893 119.950 0.140 0.000 2.601 675 F HA 0.879 5.406 4.527 0.001 0.000 0.309 675 F C -0.387 175.497 175.800 0.140 0.000 1.089 675 F CA 0.098 58.176 58.000 0.131 0.000 0.940 675 F CB 2.213 41.269 39.000 0.094 0.000 1.273 675 F HN 0.911 nan 8.300 nan 0.000 0.450 676 S N 3.901 119.105 115.700 -0.826 0.000 2.625 676 S HA 0.783 5.253 4.470 0.000 0.000 0.271 676 S C -2.116 172.086 174.600 -0.664 0.000 1.161 676 S CA -0.531 57.357 58.200 -0.519 0.000 0.820 676 S CB 1.456 64.622 63.200 -0.057 0.000 1.137 676 S HN 0.506 nan 8.310 nan 0.000 0.470 677 I N 1.467 121.874 120.570 -0.271 0.000 2.603 677 I HA 0.843 5.013 4.170 0.000 0.000 0.300 677 I C 0.695 176.868 176.117 0.092 0.000 1.017 677 I CA -0.295 60.863 61.300 -0.236 0.000 1.098 677 I CB 1.375 39.263 38.000 -0.186 0.000 1.279 677 I HN 0.822 nan 8.210 nan 0.000 0.437 678 G N 2.693 111.576 108.800 0.137 0.000 2.687 678 G HA2 0.693 4.654 3.960 0.000 0.000 0.291 678 G HA3 0.693 4.654 3.960 0.000 0.000 0.291 678 G C -1.224 173.784 174.900 0.180 0.000 1.420 678 G CA -0.415 44.842 45.100 0.261 0.000 0.796 678 G HN 0.739 nan 8.290 nan 0.000 0.485 679 A N 1.031 123.972 122.820 0.202 0.000 2.561 679 A HA 0.518 4.838 4.320 0.000 0.000 0.234 679 A C -1.706 175.988 177.584 0.183 0.000 1.055 679 A CA -0.222 51.920 52.037 0.176 0.000 0.756 679 A CB -0.346 18.764 19.000 0.185 0.000 0.986 679 A HN 0.458 nan 8.150 nan 0.000 0.505 680 P HA 0.088 nan 4.420 nan 0.000 0.274 680 P C 0.322 177.525 177.300 -0.161 0.000 1.237 680 P CA -0.239 62.860 63.100 -0.003 0.000 0.793 680 P CB 0.822 32.510 31.700 -0.020 0.000 0.977 681 Q N 1.023 120.555 119.800 -0.446 0.000 2.050 681 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 681 Q C 0.460 176.174 176.000 -0.477 0.000 0.980 681 Q CA 1.601 56.815 55.803 -0.982 0.000 0.840 681 Q CB -0.180 28.040 28.738 -0.863 0.000 0.898 681 Q HN 0.671 nan 8.270 nan 0.000 0.424 682 T N -1.222 113.175 114.554 -0.261 0.000 2.885 682 T HA 0.546 4.896 4.350 0.000 0.000 0.285 682 T C -2.775 171.873 174.700 -0.088 0.000 1.019 682 T CA -2.392 59.617 62.100 -0.151 0.000 1.010 682 T CB 1.660 70.458 68.868 -0.117 0.000 1.022 682 T HN -0.081 nan 8.240 nan 0.000 0.466 683 P HA 0.139 nan 4.420 nan 0.000 0.263 683 P C 0.616 177.908 177.300 -0.014 0.000 1.195 683 P CA 0.643 63.730 63.100 -0.023 0.000 0.762 683 P CB -0.159 31.534 31.700 -0.012 0.000 0.799 684 N N 0.900 119.602 118.700 0.002 0.000 2.828 684 N HA -0.263 4.477 4.740 0.000 0.000 0.248 684 N C 0.001 175.515 175.510 0.007 0.000 1.044 684 N CA 0.429 53.487 53.050 0.013 0.000 0.851 684 N CB -1.508 36.988 38.487 0.014 0.000 1.136 684 N HN 0.479 nan 8.380 nan 0.000 0.572 685 A N 0.526 123.340 122.820 -0.010 0.000 2.281 685 A HA 0.426 4.747 4.320 0.000 0.000 0.271 685 A C 0.982 178.575 177.584 0.015 0.000 1.196 685 A CA 0.517 52.546 52.037 -0.013 0.000 0.807 685 A CB -0.092 18.880 19.000 -0.046 0.000 1.138 685 A HN 0.793 nan 8.150 nan 0.000 0.506 686 T N -0.609 113.956 114.554 0.019 0.000 2.919 686 T HA 0.305 4.655 4.350 0.000 0.000 0.302 686 T C 0.076 174.810 174.700 0.056 0.000 1.031 686 T CA -0.019 62.123 62.100 0.071 0.000 1.127 686 T CB -0.082 68.831 68.868 0.076 0.000 0.952 686 T HN 0.578 nan 8.240 nan 0.000 0.540 687 E N 1.621 121.900 120.200 0.131 0.000 2.404 687 E HA 0.252 4.602 4.350 0.000 0.000 0.261 687 E C 0.585 177.121 176.600 -0.107 0.000 1.074 687 E CA -0.229 56.200 56.400 0.048 0.000 0.917 687 E CB 0.542 30.310 29.700 0.113 0.000 0.965 687 E HN 0.813 nan 8.360 nan 0.000 0.433 688 T N 1.618 116.082 114.554 -0.150 0.000 2.913 688 T HA 0.332 4.682 4.350 0.000 0.000 0.297 688 T C -0.212 174.097 174.700 -0.651 0.000 1.029 688 T CA -0.649 61.244 62.100 -0.345 0.000 1.104 688 T CB 0.269 68.995 68.868 -0.237 0.000 0.964 688 T HN 0.259 nan 8.240 nan 0.000 0.532 689 L N 3.263 124.034 121.223 -0.753 0.000 2.334 689 L HA 0.675 5.015 4.340 0.000 0.000 0.272 689 L C -0.766 175.602 176.870 -0.836 0.000 1.020 689 L CA -1.086 53.319 54.840 -0.724 0.000 0.812 689 L CB 1.403 43.247 42.059 -0.359 0.000 1.264 689 L HN 0.658 nan 8.230 nan 0.000 0.439 690 F N 2.100 121.925 119.950 -0.209 0.000 2.576 690 F HA 0.672 5.199 4.527 0.000 0.000 0.313 690 F C -0.557 175.246 175.800 0.005 0.000 1.078 690 F CA -0.810 57.191 58.000 0.001 0.000 0.921 690 F CB 2.160 41.113 39.000 -0.078 0.000 1.232 690 F HN 0.133 nan 8.300 nan 0.000 0.459 691 L N 2.810 124.217 121.223 0.307 0.000 2.493 691 L HA 0.431 4.771 4.340 0.000 0.000 0.265 691 L C -1.959 175.037 176.870 0.211 0.000 0.954 691 L CA -0.718 54.223 54.840 0.169 0.000 0.844 691 L CB 2.048 43.979 42.059 -0.214 0.000 1.302 691 L HN 0.750 nan 8.230 nan 0.000 0.405 692 W N 6.969 128.329 121.300 0.100 0.000 2.314 692 W HA 0.660 5.320 4.660 0.000 0.000 0.310 692 W C -0.167 176.385 176.519 0.055 0.000 1.075 692 W CA 0.444 57.844 57.345 0.092 0.000 1.253 692 W CB 1.355 30.864 29.460 0.081 0.000 1.238 692 W HN 0.862 nan 8.180 nan 0.000 0.440 693 G N 4.461 112.937 108.800 -0.541 0.000 2.351 693 G HA2 0.135 4.095 3.960 0.000 0.000 0.279 693 G HA3 0.135 4.095 3.960 0.000 0.000 0.279 693 G C -1.880 172.794 174.900 -0.377 0.000 1.297 693 G CA -1.076 43.834 45.100 -0.316 0.000 0.886 693 G HN 0.358 nan 8.290 nan 0.000 0.493 694 I N 2.330 122.723 120.570 -0.296 0.000 2.307 694 I HA 0.308 4.478 4.170 0.000 0.000 0.289 694 I C -1.481 174.354 176.117 -0.470 0.000 1.021 694 I CA -1.944 59.156 61.300 -0.334 0.000 1.224 694 I CB 2.295 40.177 38.000 -0.196 0.000 1.376 694 I HN 0.327 nan 8.210 nan 0.000 0.470 695 P HA 0.033 nan 4.420 nan 0.000 0.234 695 P C 0.169 177.167 177.300 -0.505 0.000 1.175 695 P CA 0.588 63.120 63.100 -0.947 0.000 0.801 695 P CB 0.622 31.352 31.700 -1.616 0.000 0.891 696 S N -2.288 113.205 115.700 -0.346 0.000 2.727 696 S HA 0.641 5.111 4.470 0.000 0.000 0.278 696 S C 0.884 175.411 174.600 -0.121 0.000 1.186 696 S CA -0.098 58.010 58.200 -0.155 0.000 0.836 696 S CB 0.568 63.731 63.200 -0.062 0.000 1.186 696 S HN -0.039 nan 8.310 nan 0.000 0.499 697 A N 0.756 123.537 122.820 -0.066 0.000 2.119 697 A HA 0.239 4.559 4.320 0.000 0.000 0.216 697 A C 1.750 179.310 177.584 -0.040 0.000 1.152 697 A CA 1.470 53.478 52.037 -0.049 0.000 0.708 697 A CB -0.871 18.112 19.000 -0.028 0.000 0.805 697 A HN 1.579 nan 8.150 nan 0.000 0.460 698 S N -1.783 113.894 115.700 -0.038 0.000 2.629 698 S HA 0.331 4.801 4.470 0.000 0.000 0.236 698 S C 0.129 174.722 174.600 -0.013 0.000 1.010 698 S CA -0.535 57.654 58.200 -0.017 0.000 0.981 698 S CB 0.052 63.251 63.200 -0.002 0.000 0.919 698 S HN 0.511 nan 8.310 nan 0.000 0.514 699 Q N 2.333 122.104 119.800 -0.049 0.000 2.353 699 Q HA 0.546 4.886 4.340 0.000 0.000 0.268 699 Q C -2.805 173.167 176.000 -0.047 0.000 1.045 699 Q CA -2.265 53.519 55.803 -0.031 0.000 0.811 699 Q CB 2.391 31.056 28.738 -0.123 0.000 1.305 699 Q HN 0.254 nan 8.270 nan 0.000 0.447 700 P HA 0.047 nan 4.420 nan 0.000 0.279 700 P C -0.798 176.503 177.300 0.003 0.000 1.276 700 P CA -0.523 62.585 63.100 0.012 0.000 0.801 700 P CB 0.710 32.430 31.700 0.033 0.000 1.127 701 E N -0.396 119.762 120.200 -0.071 0.000 2.480 701 E HA 0.340 4.690 4.350 0.000 0.000 0.258 701 E C 0.085 176.459 176.600 -0.377 0.000 0.984 701 E CA 0.327 56.599 56.400 -0.213 0.000 0.930 701 E CB -0.360 29.270 29.700 -0.116 0.000 0.936 701 E HN 0.680 nan 8.360 nan 0.000 0.466 702 G N 3.345 111.715 108.800 -0.716 0.000 2.428 702 G HA2 0.199 4.160 3.960 0.000 0.000 0.304 702 G HA3 0.199 4.160 3.960 0.000 0.000 0.304 702 G C -1.595 172.714 174.900 -0.984 0.000 1.303 702 G CA -0.932 43.567 45.100 -1.002 0.000 0.825 702 G HN 0.511 nan 8.290 nan 0.000 0.484 703 L N 0.644 121.561 121.223 -0.512 0.000 2.276 703 L HA 0.670 5.011 4.340 0.000 0.000 0.286 703 L C -1.120 175.564 176.870 -0.310 0.000 1.061 703 L CA -0.613 54.175 54.840 -0.088 0.000 0.807 703 L CB 0.658 42.811 42.059 0.157 0.000 1.177 703 L HN 0.594 nan 8.230 nan 0.000 0.429 704 Y N 3.835 124.174 120.300 0.064 0.000 2.545 704 Y HA 0.525 5.075 4.550 0.000 0.000 0.348 704 Y C 0.129 176.245 175.900 0.361 0.000 1.002 704 Y CA -0.868 57.332 58.100 0.166 0.000 1.039 704 Y CB 2.191 40.691 38.460 0.067 0.000 1.271 704 Y HN 0.532 nan 8.280 nan 0.000 0.467 705 M N 0.522 120.426 119.600 0.508 0.000 2.591 705 M HA 0.867 5.347 4.480 0.000 0.000 0.306 705 M C -1.160 175.168 176.300 0.046 0.000 1.190 705 M CA -0.655 54.778 55.300 0.223 0.000 0.889 705 M CB 2.524 35.146 32.600 0.037 0.000 1.728 705 M HN 0.401 nan 8.290 nan 0.000 0.458 706 S N -0.224 115.247 115.700 -0.382 0.000 2.547 706 S HA 0.601 5.072 4.470 0.000 0.000 0.281 706 S C 0.111 174.446 174.600 -0.442 0.000 1.118 706 S CA -0.070 57.761 58.200 -0.615 0.000 0.947 706 S CB 1.712 64.048 63.200 -1.440 0.000 1.053 706 S HN 0.937 nan 8.310 nan 0.000 0.482 707 T N -0.293 114.087 114.554 -0.290 0.000 3.054 707 T HA 0.217 4.568 4.350 0.000 0.000 0.255 707 T C 0.017 174.607 174.700 -0.184 0.000 1.035 707 T CA 0.138 62.125 62.100 -0.188 0.000 0.941 707 T CB -0.281 68.536 68.868 -0.085 0.000 1.026 707 T HN 0.601 nan 8.240 nan 0.000 0.533 708 D N 0.758 121.016 120.400 -0.237 0.000 2.891 708 D HA 0.176 4.816 4.640 0.000 0.000 0.312 708 D C 0.182 176.364 176.300 -0.198 0.000 1.354 708 D CA -0.864 53.026 54.000 -0.183 0.000 0.838 708 D CB -1.382 39.329 40.800 -0.149 0.000 1.117 708 D HN 0.358 nan 8.370 nan 0.000 0.473 709 N N 0.765 119.341 118.700 -0.206 0.000 2.716 709 N HA -0.262 4.478 4.740 0.000 0.000 0.250 709 N C 0.843 176.230 175.510 -0.205 0.000 1.033 709 N CA 0.573 53.533 53.050 -0.150 0.000 0.727 709 N CB -1.015 37.436 38.487 -0.060 0.000 0.950 709 N HN 0.710 nan 8.380 nan 0.000 0.541 710 G N -2.509 106.000 108.800 -0.484 0.000 2.141 710 G HA2 -0.247 3.713 3.960 0.000 0.000 0.231 710 G HA3 -0.247 3.713 3.960 0.000 0.000 0.231 710 G C 0.915 175.604 174.900 -0.352 0.000 0.984 710 G CA 0.533 45.294 45.100 -0.564 0.000 0.660 710 G HN 0.688 nan 8.290 nan 0.000 0.525 711 G N -0.625 107.998 108.800 -0.296 0.000 2.402 711 G HA2 0.322 4.283 3.960 0.000 0.000 0.216 711 G HA3 0.322 4.283 3.960 0.000 0.000 0.216 711 G C 0.580 175.370 174.900 -0.182 0.000 1.162 711 G CA 1.439 46.436 45.100 -0.172 0.000 0.777 711 G HN 1.206 nan 8.290 nan 0.000 0.539 712 L N -0.646 120.392 121.223 -0.308 0.000 2.438 712 L HA 0.681 5.021 4.340 0.000 0.000 0.270 712 L C -2.052 174.627 176.870 -0.318 0.000 0.972 712 L CA -1.443 53.277 54.840 -0.199 0.000 0.831 712 L CB 1.821 43.815 42.059 -0.108 0.000 1.273 712 L HN 0.166 nan 8.230 nan 0.000 0.405 713 W N 3.743 125.035 121.300 -0.013 0.000 2.417 713 W HA 0.617 5.277 4.660 0.000 0.000 0.315 713 W C 0.142 176.753 176.519 0.154 0.000 1.045 713 W CA -0.610 56.757 57.345 0.036 0.000 1.221 713 W CB 2.113 31.521 29.460 -0.087 0.000 1.309 713 W HN 0.607 nan 8.180 nan 0.000 0.453 714 T N 1.149 115.926 114.554 0.372 0.000 2.829 714 T HA 0.488 4.838 4.350 0.000 0.000 0.282 714 T C -0.150 174.703 174.700 0.255 0.000 0.990 714 T CA -0.930 61.331 62.100 0.270 0.000 1.028 714 T CB 1.149 70.094 68.868 0.128 0.000 0.951 714 T HN 0.382 nan 8.240 nan 0.000 0.460 715 R N 3.234 123.786 120.500 0.087 0.000 2.449 715 R HA 0.331 4.671 4.340 0.000 0.000 0.296 715 R C 0.627 176.822 176.300 -0.176 0.000 1.047 715 R CA -0.028 55.888 56.100 -0.306 0.000 1.018 715 R CB -0.177 29.991 30.300 -0.221 0.000 0.962 715 R HN 0.856 nan 8.270 nan 0.000 0.428 716 L N 2.806 123.900 121.223 -0.215 0.000 2.388 716 L HA 0.139 4.480 4.340 0.000 0.000 0.209 716 L C 0.880 177.703 176.870 -0.078 0.000 1.061 716 L CA 0.059 54.848 54.840 -0.086 0.000 0.834 716 L CB -0.362 41.689 42.059 -0.014 0.000 1.029 716 L HN 0.735 nan 8.230 nan 0.000 0.473 717 N N 0.339 118.984 118.700 -0.092 0.000 2.645 717 N HA 0.231 4.971 4.740 0.000 0.000 0.308 717 N C -0.868 174.613 175.510 -0.049 0.000 1.335 717 N CA -0.241 52.798 53.050 -0.019 0.000 0.909 717 N CB 0.470 39.030 38.487 0.123 0.000 1.109 717 N HN 0.067 nan 8.380 nan 0.000 0.555 718 D N -3.363 117.052 120.400 0.025 0.000 2.759 718 D HA 0.284 4.924 4.640 0.000 0.000 0.321 718 D C -0.403 175.952 176.300 0.092 0.000 1.267 718 D CA -0.550 53.473 54.000 0.038 0.000 0.933 718 D CB 0.124 40.950 40.800 0.043 0.000 1.431 718 D HN 0.204 nan 8.370 nan 0.000 0.504 719 D N -0.840 119.612 120.400 0.086 0.000 2.263 719 D HA 0.032 4.672 4.640 0.000 0.000 0.208 719 D C 1.458 177.836 176.300 0.130 0.000 0.971 719 D CA 1.455 55.516 54.000 0.101 0.000 0.867 719 D CB -0.137 40.708 40.800 0.076 0.000 0.929 719 D HN 0.477 nan 8.370 nan 0.000 0.492 720 A N -0.505 122.388 122.820 0.123 0.000 2.308 720 A HA 0.051 4.372 4.320 0.000 0.000 0.217 720 A C -0.008 177.388 177.584 -0.313 0.000 1.216 720 A CA 0.039 52.084 52.037 0.013 0.000 0.864 720 A CB -0.134 18.874 19.000 0.012 0.000 0.902 720 A HN 0.130 nan 8.150 nan 0.000 0.499 721 H N -0.136 118.845 119.070 -0.147 0.000 2.336 721 H HA 0.320 4.877 4.556 0.000 0.000 0.230 721 H C 0.413 175.495 175.328 -0.409 0.000 1.426 721 H CA -0.545 55.237 56.048 -0.443 0.000 1.359 721 H CB 0.248 29.871 29.762 -0.231 0.000 1.555 721 H HN 0.256 nan 8.280 nan 0.000 0.512 722 N N 0.288 118.803 118.700 -0.309 0.000 2.482 722 N HA -0.040 4.700 4.740 0.000 0.000 0.179 722 N C -0.054 175.416 175.510 -0.068 0.000 1.039 722 N CA 0.366 53.434 53.050 0.029 0.000 0.884 722 N CB 0.563 39.154 38.487 0.174 0.000 1.113 722 N HN 0.476 nan 8.380 nan 0.000 0.440 723 Y N -0.503 119.755 120.300 -0.070 0.000 4.729 723 Y HA -0.231 4.319 4.550 0.001 0.000 0.239 723 Y C 1.336 177.123 175.900 -0.188 0.000 1.043 723 Y CA 0.504 58.525 58.100 -0.132 0.000 2.045 723 Y CB -1.690 36.700 38.460 -0.115 0.000 1.599 723 Y HN 0.275 nan 8.280 nan 0.000 0.655 724 G N -1.624 107.114 108.800 -0.104 0.000 2.213 724 G HA2 0.235 4.196 3.960 0.000 0.000 0.236 724 G HA3 0.235 4.196 3.960 0.000 0.000 0.236 724 G C 0.869 175.658 174.900 -0.185 0.000 0.991 724 G CA 0.475 45.492 45.100 -0.138 0.000 0.629 724 G HN 2.052 nan 8.290 nan 0.000 0.517 725 G N -0.752 107.835 108.800 -0.355 0.000 2.788 725 G HA2 0.494 4.454 3.960 0.000 0.000 0.686 725 G HA3 0.494 4.454 3.960 0.000 0.000 0.686 725 G C 0.099 174.424 174.900 -0.959 0.000 1.147 725 G CA 0.809 45.356 45.100 -0.921 0.000 0.755 725 G HN 2.167 nan 8.290 nan 0.000 0.634 726 A N 1.166 123.092 122.820 -1.491 0.000 2.388 726 A HA 0.836 5.156 4.320 0.000 0.000 0.257 726 A C 1.465 178.813 177.584 -0.394 0.000 1.095 726 A CA 1.012 52.646 52.037 -0.672 0.000 0.791 726 A CB 0.564 19.330 19.000 -0.390 0.000 1.029 726 A HN 2.307 nan 8.150 nan 0.000 0.489 727 T N -1.470 112.973 114.554 -0.186 0.000 3.003 727 T HA 0.427 4.778 4.350 0.000 0.000 0.261 727 T C 0.106 174.803 174.700 -0.005 0.000 1.003 727 T CA 0.443 62.502 62.100 -0.068 0.000 0.917 727 T CB -0.366 68.475 68.868 -0.044 0.000 1.084 727 T HN 0.621 nan 8.240 nan 0.000 0.522 728 V N 1.027 120.933 119.914 -0.014 0.000 3.049 728 V HA 0.717 4.837 4.120 0.000 0.000 0.309 728 V C -1.191 174.925 176.094 0.038 0.000 1.148 728 V CA -1.205 61.112 62.300 0.030 0.000 0.990 728 V CB 2.537 34.372 31.823 0.020 0.000 1.039 728 V HN 0.440 nan 8.190 nan 0.000 0.430 729 I N 1.778 122.393 120.570 0.076 0.000 2.743 729 I HA 0.655 4.826 4.170 0.000 0.000 0.292 729 I C -1.265 174.909 176.117 0.096 0.000 1.343 729 I CA 0.151 61.495 61.300 0.074 0.000 1.038 729 I CB 2.240 40.297 38.000 0.096 0.000 1.311 729 I HN 0.783 nan 8.210 nan 0.000 0.426 730 S N 4.336 120.096 115.700 0.099 0.000 2.548 730 S HA 0.778 5.248 4.470 0.000 0.000 0.276 730 S C -0.199 174.428 174.600 0.045 0.000 1.129 730 S CA -0.039 58.250 58.200 0.148 0.000 0.931 730 S CB 1.580 64.934 63.200 0.257 0.000 1.068 730 S HN 0.909 nan 8.310 nan 0.000 0.480 731 G N 1.589 110.404 108.800 0.024 0.000 2.553 731 G HA2 0.400 4.361 3.960 0.000 0.000 0.278 731 G HA3 0.400 4.361 3.960 0.000 0.000 0.278 731 G C -0.998 173.958 174.900 0.093 0.000 1.349 731 G CA -0.143 44.913 45.100 -0.073 0.000 1.037 731 G HN 0.655 nan 8.290 nan 0.000 0.508 732 D N -1.163 119.293 120.400 0.093 0.000 2.696 732 D HA 0.356 4.996 4.640 0.000 0.000 0.251 732 D C -1.957 174.444 176.300 0.168 0.000 1.188 732 D CA -1.834 52.285 54.000 0.198 0.000 0.876 732 D CB 2.338 43.274 40.800 0.225 0.000 1.334 732 D HN -0.074 nan 8.370 nan 0.000 0.540 733 P HA 0.107 nan 4.420 nan 0.000 0.229 733 P C 0.877 178.237 177.300 0.100 0.000 1.160 733 P CA 0.631 63.800 63.100 0.116 0.000 0.777 733 P CB 0.448 32.197 31.700 0.081 0.000 0.814 734 R N -1.300 119.258 120.500 0.096 0.000 2.308 734 R HA 0.294 4.634 4.340 0.000 0.000 0.202 734 R C 0.309 176.708 176.300 0.164 0.000 0.898 734 R CA 0.167 56.330 56.100 0.106 0.000 1.046 734 R CB 0.325 30.660 30.300 0.057 0.000 1.026 734 R HN 0.206 nan 8.270 nan 0.000 0.512 735 I N 0.606 121.287 120.570 0.185 0.000 2.478 735 I HA 0.131 4.301 4.170 0.000 0.000 0.287 735 I C -0.950 175.271 176.117 0.173 0.000 1.042 735 I CA -1.268 60.134 61.300 0.170 0.000 1.067 735 I CB 1.575 39.662 38.000 0.146 0.000 1.233 735 I HN -0.063 nan 8.210 nan 0.000 0.431 736 Y N 6.332 126.682 120.300 0.082 0.000 2.442 736 Y HA 0.464 5.014 4.550 0.000 0.000 0.330 736 Y C 1.148 177.109 175.900 0.101 0.000 1.129 736 Y CA 0.467 58.621 58.100 0.090 0.000 1.365 736 Y CB 0.815 39.308 38.460 0.055 0.000 1.233 736 Y HN 0.828 nan 8.280 nan 0.000 0.529 737 G N 4.338 112.865 108.800 -0.454 0.000 2.175 737 G HA2 -0.296 3.664 3.960 0.000 0.000 0.244 737 G HA3 -0.296 3.664 3.960 0.000 0.000 0.244 737 G C 0.073 174.846 174.900 -0.212 0.000 0.982 737 G CA 0.030 44.818 45.100 -0.520 0.000 0.641 737 G HN 0.817 nan 8.290 nan 0.000 0.527 738 R N 0.452 120.826 120.500 -0.210 0.000 2.229 738 R HA 0.632 4.972 4.340 0.000 0.000 0.328 738 R C 0.152 175.956 176.300 -0.826 0.000 1.009 738 R CA -0.052 55.808 56.100 -0.400 0.000 0.864 738 R CB 1.198 31.335 30.300 -0.271 0.000 1.085 738 R HN 0.510 nan 8.270 nan 0.000 0.453 739 V N 2.594 121.935 119.914 -0.956 0.000 2.914 739 V HA 0.537 4.658 4.120 0.000 0.000 0.314 739 V C -1.072 174.483 176.094 -0.899 0.000 1.084 739 V CA -1.186 60.458 62.300 -1.093 0.000 0.963 739 V CB 1.676 32.897 31.823 -1.002 0.000 1.025 739 V HN 0.627 nan 8.190 nan 0.000 0.432 740 Y N 3.606 123.745 120.300 -0.268 0.000 2.331 740 Y HA 0.762 5.312 4.550 0.000 0.000 0.338 740 Y C 0.294 176.091 175.900 -0.172 0.000 0.992 740 Y CA -0.862 57.108 58.100 -0.216 0.000 1.121 740 Y CB 1.707 40.056 38.460 -0.185 0.000 1.184 740 Y HN 0.728 nan 8.280 nan 0.000 0.469 741 I N 0.246 120.787 120.570 -0.049 0.000 2.474 741 I HA 0.969 5.139 4.170 0.000 0.000 0.294 741 I C 0.007 176.054 176.117 -0.117 0.000 1.005 741 I CA -0.713 60.547 61.300 -0.066 0.000 1.113 741 I CB 1.920 39.883 38.000 -0.062 0.000 1.289 741 I HN 0.674 nan 8.210 nan 0.000 0.436 742 G N 7.293 116.035 108.800 -0.096 0.000 2.420 742 G HA2 0.742 4.702 3.960 0.000 0.000 0.331 742 G HA3 0.742 4.702 3.960 0.000 0.000 0.331 742 G C -0.491 174.332 174.900 -0.128 0.000 1.168 742 G CA -0.862 44.171 45.100 -0.112 0.000 0.936 742 G HN 0.673 nan 8.290 nan 0.000 0.479 743 M N 0.104 119.627 119.600 -0.128 0.000 2.719 743 M HA 0.444 4.924 4.480 0.000 0.000 0.291 743 M C -0.852 175.413 176.300 -0.057 0.000 1.264 743 M CA -1.108 54.120 55.300 -0.120 0.000 0.811 743 M CB 1.371 33.877 32.600 -0.156 0.000 1.756 743 M HN 0.495 nan 8.290 nan 0.000 0.464 744 N N -0.336 118.338 118.700 -0.045 0.000 2.868 744 N HA 0.441 5.181 4.740 0.000 0.000 0.252 744 N C 0.434 175.941 175.510 -0.004 0.000 1.130 744 N CA 0.704 53.758 53.050 0.006 0.000 1.026 744 N CB 0.026 38.524 38.487 0.018 0.000 1.335 744 N HN 1.034 nan 8.380 nan 0.000 0.516 745 G N 2.451 111.253 108.800 0.004 0.000 2.192 745 G HA2 -0.149 3.812 3.960 0.000 0.000 0.193 745 G HA3 -0.149 3.812 3.960 0.000 0.000 0.193 745 G C 0.552 175.457 174.900 0.009 0.000 0.999 745 G CA -0.517 44.587 45.100 0.008 0.000 0.659 745 G HN 0.498 nan 8.290 nan 0.000 0.503 746 R N 0.338 120.829 120.500 -0.015 0.000 2.629 746 R HA 0.453 4.793 4.340 0.000 0.000 0.408 746 R C 1.463 177.717 176.300 -0.077 0.000 1.057 746 R CA 0.818 56.912 56.100 -0.010 0.000 1.119 746 R CB 0.123 30.432 30.300 0.015 0.000 1.403 746 R HN 1.423 nan 8.270 nan 0.000 0.576 747 G N 1.617 110.370 108.800 -0.078 0.000 2.596 747 G HA2 -0.330 3.630 3.960 0.000 0.000 0.295 747 G HA3 -0.330 3.630 3.960 0.000 0.000 0.295 747 G C -0.130 174.666 174.900 -0.173 0.000 1.240 747 G CA 0.045 45.075 45.100 -0.118 0.000 0.985 747 G HN 0.238 nan 8.290 nan 0.000 0.555 748 I N 0.248 120.690 120.570 -0.215 0.000 2.418 748 I HA 0.483 4.653 4.170 0.000 0.000 0.287 748 I C -0.503 175.439 176.117 -0.292 0.000 1.008 748 I CA -0.790 60.357 61.300 -0.256 0.000 1.104 748 I CB 1.727 39.538 38.000 -0.316 0.000 1.264 748 I HN 0.357 nan 8.210 nan 0.000 0.438 749 I N 5.787 126.169 120.570 -0.314 0.000 2.392 749 I HA 0.247 4.417 4.170 0.000 0.000 0.295 749 I C -0.186 175.819 176.117 -0.187 0.000 0.985 749 I CA -0.989 60.130 61.300 -0.302 0.000 1.221 749 I CB 1.446 39.164 38.000 -0.471 0.000 1.366 749 I HN 0.606 nan 8.210 nan 0.000 0.467 750 C N 7.240 126.450 119.300 -0.152 0.000 2.285 750 C HA 0.877 5.337 4.460 0.000 0.000 0.335 750 C C 0.215 175.137 174.990 -0.114 0.000 1.267 750 C CA -0.400 58.557 59.018 -0.101 0.000 1.762 750 C CB -0.759 26.950 27.740 -0.051 0.000 2.365 750 C HN 0.850 nan 8.230 nan 0.000 0.527 751 A N 5.196 127.899 122.820 -0.194 0.000 2.342 751 A HA 0.732 5.052 4.320 0.000 0.000 0.323 751 A C -0.841 176.628 177.584 -0.191 0.000 1.125 751 A CA -0.309 51.637 52.037 -0.152 0.000 0.785 751 A CB 1.297 20.220 19.000 -0.128 0.000 1.221 751 A HN 0.861 nan 8.150 nan 0.000 0.463 752 Q N 1.822 121.549 119.800 -0.121 0.000 2.290 752 Q HA 0.617 4.957 4.340 0.000 0.000 0.269 752 Q C 0.600 176.542 176.000 -0.096 0.000 1.016 752 Q CA 0.188 55.919 55.803 -0.120 0.000 0.754 752 Q CB 1.599 30.291 28.738 -0.077 0.000 1.247 752 Q HN 1.130 nan 8.270 nan 0.000 0.451 753 A N 4.634 127.382 122.820 -0.121 0.000 1.893 753 A HA -0.162 4.158 4.320 0.000 0.000 0.222 753 A C 0.322 177.873 177.584 -0.055 0.000 1.309 753 A CA 1.877 53.858 52.037 -0.094 0.000 0.681 753 A CB -0.866 18.037 19.000 -0.162 0.000 0.842 753 A HN 0.666 nan 8.150 nan 0.000 0.468 754 L N -2.122 119.073 121.223 -0.046 0.000 2.331 754 L HA 0.651 4.991 4.340 0.000 0.000 0.275 754 L C 0.974 177.832 176.870 -0.019 0.000 1.022 754 L CA -0.639 54.189 54.840 -0.021 0.000 0.812 754 L CB 1.267 43.326 42.059 -0.000 0.000 1.257 754 L HN 0.310 nan 8.230 nan 0.000 0.435 755 G N 0.000 108.791 108.800 -0.015 0.000 5.446 755 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 755 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 755 G CA 0.000 45.093 45.100 -0.012 0.000 0.502 755 G HN 0.000 nan 8.290 nan 0.000 0.925