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 2xf2_1_A DATA FIRST_RESID 2 DATA SEQUENCE QQFLSQFYLN DQDVYLTSNV GGPIQDENSL SAGQRGATLL QDFIFREKIQ DATA SEQUENCE RFDHERVPER AVHARGTGAH GTFTSYGDWS NLTAASFLSA EGKETPMFTR DATA SEQUENCE FSTVAGSRGS ADTARDVHGF ATRFYTDEGN FDIVGNNIPV FFIQDAILFP DATA SEQUENCE DLIHAVKPRG DNQIPQAATA HDSAWDFFSQ QPSVLHTLLW AMAGHGIPRS DATA SEQUENCE FRHVNGFGVH TFRLVTDDGK TKLVKFHWKG LQGKASFVWE EAQQTAGKNA DATA SEQUENCE DFMRQDLFQS IQAGRFPEWE LGVQIMQEQD QLKFGFDLLD PTKIVPEELV DATA SEQUENCE PVTILGKMQL NRNPMNYFAE TEQVMFQPGH IVRGVDFTED PLLQGRLFSY DATA SEQUENCE LDTQLNRHGG PNFEQLPINR PRAPIHNNNR DGAGQMFIPL DPNAYSPNTE DATA SEQUENCE NKGSPKQANE TVGKGFFTAP ERTASGKLQR TLSTTFENNW SQPRLFWNSL DATA SEQUENCE VNAQKEFIVD AMRFETSNVS SSVVRDDVII QLNRISDNLA TRVASAIGVE DATA SEQUENCE APKPNSSFYH DNTTAHIGAF GEKLAKLDGL KVGLLASVNK PASIAQGAKL DATA SEQUENCE QVALSSVGVD VVVVAERMAN NVDETYSASD AVQFDAVVVA DGAEGLFGAD DATA SEQUENCE SFTVEPSAGS GASTLYPAGR PLNILLDAFR FGKTVGALGS GSDALESGQI DATA SEQUENCE SSERQGVYTG KNAGDAFAKD IKSGLSTFKF LDRFAVDE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 175.940 176.000 -0.100 0.000 1.003 2 Q CA 0.000 55.762 55.803 -0.069 0.000 1.022 2 Q CB 0.000 28.726 28.738 -0.019 0.000 1.108 3 Q N -0.044 119.722 119.800 -0.056 0.000 2.096 3 Q HA -0.189 4.150 4.340 -0.002 0.000 0.204 3 Q C 1.478 177.424 176.000 -0.090 0.000 0.982 3 Q CA 1.871 57.633 55.803 -0.069 0.000 0.850 3 Q CB -0.050 28.676 28.738 -0.020 0.000 0.901 3 Q HN 0.427 nan 8.270 nan 0.000 0.422 4 F N 0.439 120.292 119.950 -0.163 0.000 2.098 4 F HA -0.100 4.426 4.527 -0.002 0.000 0.294 4 F C 1.798 177.505 175.800 -0.156 0.000 1.107 4 F CA 1.134 59.046 58.000 -0.147 0.000 1.234 4 F CB -0.165 38.767 39.000 -0.114 0.000 1.002 4 F HN 0.011 nan 8.300 nan 0.000 0.472 5 L N 0.162 121.323 121.223 -0.105 0.000 2.275 5 L HA -0.154 4.185 4.340 -0.002 0.000 0.215 5 L C 2.595 179.092 176.870 -0.621 0.000 1.119 5 L CA 1.160 55.925 54.840 -0.125 0.000 0.790 5 L CB -0.859 41.210 42.059 0.018 0.000 0.919 5 L HN 0.336 nan 8.230 nan 0.000 0.443 6 S N 0.002 115.155 115.700 -0.911 0.000 2.442 6 S HA -0.258 4.212 4.470 -0.002 0.000 0.236 6 S C 1.834 175.949 174.600 -0.809 0.000 1.007 6 S CA 1.079 58.477 58.200 -1.336 0.000 0.965 6 S CB -0.437 62.354 63.200 -0.681 0.000 0.773 6 S HN 0.677 nan 8.310 nan 0.000 0.504 7 Q N -0.190 119.144 119.800 -0.777 0.000 2.437 7 Q HA -0.003 4.336 4.340 -0.002 0.000 0.210 7 Q C 0.797 176.330 176.000 -0.779 0.000 0.972 7 Q CA 0.958 56.288 55.803 -0.789 0.000 0.903 7 Q CB -0.609 27.540 28.738 -0.982 0.000 0.967 7 Q HN 0.683 nan 8.270 nan 0.000 0.486 8 F N -0.815 118.965 119.950 -0.283 0.000 2.695 8 F HA 0.271 4.797 4.527 -0.002 0.000 0.303 8 F C 0.016 175.864 175.800 0.080 0.000 1.091 8 F CA -0.885 57.050 58.000 -0.109 0.000 1.300 8 F CB 0.237 39.169 39.000 -0.115 0.000 1.071 8 F HN -0.087 nan 8.300 nan 0.000 0.578 9 Y N 2.069 122.395 120.300 0.042 0.000 2.411 9 Y HA 0.310 4.859 4.550 -0.002 0.000 0.333 9 Y C 0.270 176.184 175.900 0.022 0.000 1.186 9 Y CA -1.211 56.910 58.100 0.035 0.000 1.381 9 Y CB 0.107 38.570 38.460 0.004 0.000 1.273 9 Y HN -0.163 nan 8.280 nan 0.000 0.546 10 L N 4.651 125.977 121.223 0.173 0.000 2.319 10 L HA 0.333 4.672 4.340 -0.002 0.000 0.281 10 L C 0.014 176.917 176.870 0.056 0.000 1.005 10 L CA -0.646 54.251 54.840 0.094 0.000 0.828 10 L CB 1.195 43.298 42.059 0.074 0.000 1.227 10 L HN 0.548 nan 8.230 nan 0.000 0.415 11 N N 2.550 121.280 118.700 0.049 0.000 2.425 11 N HA 0.176 4.915 4.740 -0.002 0.000 0.268 11 N C -0.826 174.694 175.510 0.016 0.000 0.991 11 N CA -0.246 52.819 53.050 0.025 0.000 0.931 11 N CB 1.524 40.031 38.487 0.033 0.000 1.130 11 N HN 0.487 nan 8.380 nan 0.000 0.493 12 D N 2.384 122.788 120.400 0.005 0.000 2.772 12 D HA 0.115 4.754 4.640 -0.002 0.000 0.272 12 D C -0.335 175.958 176.300 -0.013 0.000 1.314 12 D CA 0.002 54.002 54.000 0.000 0.000 0.835 12 D CB 0.508 41.310 40.800 0.004 0.000 1.080 12 D HN 0.499 nan 8.370 nan 0.000 0.482 13 Q N 0.771 120.562 119.800 -0.014 0.000 2.274 13 Q HA 0.172 4.511 4.340 -0.002 0.000 0.256 13 Q C -0.359 175.616 176.000 -0.041 0.000 0.927 13 Q CA -0.438 55.352 55.803 -0.023 0.000 0.939 13 Q CB 1.294 30.024 28.738 -0.014 0.000 1.201 13 Q HN -0.015 nan 8.270 nan 0.000 0.426 14 D N 1.019 121.381 120.400 -0.062 0.000 2.737 14 D HA -0.161 4.478 4.640 -0.002 0.000 0.238 14 D C -1.369 174.847 176.300 -0.140 0.000 1.157 14 D CA 0.704 54.644 54.000 -0.100 0.000 0.694 14 D CB -0.729 40.027 40.800 -0.074 0.000 1.021 14 D HN 0.313 nan 8.370 nan 0.000 0.420 15 V N -1.851 117.969 119.914 -0.158 0.000 3.078 15 V HA 0.728 4.847 4.120 -0.002 0.000 0.311 15 V C -0.016 175.945 176.094 -0.221 0.000 1.138 15 V CA -1.208 61.000 62.300 -0.155 0.000 1.007 15 V CB 1.475 33.276 31.823 -0.037 0.000 1.045 15 V HN 0.004 nan 8.190 nan 0.000 0.432 16 Y N 1.444 121.750 120.300 0.010 0.000 2.304 16 Y HA 0.565 5.114 4.550 -0.002 0.000 0.327 16 Y C 0.348 176.255 175.900 0.011 0.000 1.209 16 Y CA -0.369 57.737 58.100 0.010 0.000 1.299 16 Y CB 1.166 39.633 38.460 0.012 0.000 1.249 16 Y HN 0.731 nan 8.280 nan 0.000 0.519 17 L N 3.580 124.918 121.223 0.193 0.000 2.453 17 L HA 0.280 4.619 4.340 -0.002 0.000 0.272 17 L C 0.346 177.276 176.870 0.100 0.000 1.182 17 L CA 0.414 55.319 54.840 0.108 0.000 0.858 17 L CB 0.099 42.205 42.059 0.080 0.000 1.120 17 L HN 0.837 nan 8.230 nan 0.000 0.474 18 T N 0.847 115.445 114.554 0.074 0.000 2.901 18 T HA 0.684 5.033 4.350 -0.002 0.000 0.293 18 T C 0.068 174.804 174.700 0.060 0.000 1.084 18 T CA -0.209 61.932 62.100 0.069 0.000 1.008 18 T CB 1.194 70.103 68.868 0.068 0.000 1.170 18 T HN 0.813 nan 8.240 nan 0.000 0.509 19 S N 0.789 116.534 115.700 0.075 0.000 2.626 19 S HA 0.175 4.644 4.470 -0.002 0.000 0.257 19 S C 0.983 175.620 174.600 0.062 0.000 1.288 19 S CA -0.344 57.904 58.200 0.081 0.000 0.980 19 S CB -0.384 62.900 63.200 0.140 0.000 0.975 19 S HN 0.795 nan 8.310 nan 0.000 0.577 20 N N -0.491 118.242 118.700 0.055 0.000 2.520 20 N HA -0.034 4.705 4.740 -0.002 0.000 0.185 20 N C 0.922 176.454 175.510 0.037 0.000 1.068 20 N CA 0.908 53.982 53.050 0.040 0.000 0.911 20 N CB -0.234 38.270 38.487 0.029 0.000 0.961 20 N HN 0.577 nan 8.380 nan 0.000 0.446 21 V N -3.764 116.177 119.914 0.045 0.000 3.043 21 V HA 0.576 4.695 4.120 -0.002 0.000 0.357 21 V C 0.971 177.086 176.094 0.034 0.000 1.372 21 V CA -0.055 62.264 62.300 0.032 0.000 1.214 21 V CB -0.059 31.777 31.823 0.020 0.000 1.224 21 V HN 0.177 nan 8.190 nan 0.000 0.507 22 G N -0.360 108.466 108.800 0.044 0.000 2.143 22 G HA2 -0.129 3.830 3.960 -0.002 0.000 0.249 22 G HA3 -0.129 3.830 3.960 -0.002 0.000 0.249 22 G C 0.528 175.456 174.900 0.047 0.000 0.981 22 G CA -0.101 45.024 45.100 0.042 0.000 0.665 22 G HN 1.558 nan 8.290 nan 0.000 0.528 23 G N 0.409 109.248 108.800 0.063 0.000 2.320 23 G HA2 0.631 4.590 3.960 -0.002 0.000 0.300 23 G HA3 0.631 4.590 3.960 -0.002 0.000 0.300 23 G C -2.172 172.774 174.900 0.077 0.000 1.126 23 G CA -1.085 44.059 45.100 0.073 0.000 0.896 23 G HN 0.172 nan 8.290 nan 0.000 0.436 24 P HA 0.281 nan 4.420 nan 0.000 0.268 24 P C 0.033 177.357 177.300 0.040 0.000 1.204 24 P CA 0.055 63.177 63.100 0.038 0.000 0.768 24 P CB 0.812 32.501 31.700 -0.019 0.000 0.842 25 I N -0.579 120.013 120.570 0.038 0.000 3.191 25 I HA 0.597 4.766 4.170 -0.002 0.000 0.313 25 I C -1.056 175.066 176.117 0.009 0.000 1.193 25 I CA -1.493 59.816 61.300 0.015 0.000 0.968 25 I CB 2.258 40.256 38.000 -0.003 0.000 1.262 25 I HN 0.279 nan 8.210 nan 0.000 0.456 26 Q N 1.034 120.825 119.800 -0.015 0.000 2.348 26 Q HA 0.539 4.879 4.340 -0.002 0.000 0.271 26 Q C -1.432 174.550 176.000 -0.030 0.000 1.067 26 Q CA -0.657 55.141 55.803 -0.008 0.000 0.839 26 Q CB 2.506 31.241 28.738 -0.005 0.000 1.354 26 Q HN 0.760 nan 8.270 nan 0.000 0.447 27 D N 0.245 120.634 120.400 -0.019 0.000 2.692 27 D HA 0.067 4.706 4.640 -0.002 0.000 0.290 27 D C -0.094 176.198 176.300 -0.013 0.000 1.455 27 D CA -0.182 53.802 54.000 -0.027 0.000 0.796 27 D CB 0.396 41.177 40.800 -0.032 0.000 1.131 27 D HN 0.559 nan 8.370 nan 0.000 0.467 28 E N 0.100 120.295 120.200 -0.007 0.000 2.473 28 E HA 0.172 4.521 4.350 -0.002 0.000 0.204 28 E C -0.132 176.469 176.600 0.002 0.000 0.994 28 E CA 0.120 56.518 56.400 -0.004 0.000 0.945 28 E CB 0.736 30.433 29.700 -0.004 0.000 0.990 28 E HN 0.270 nan 8.360 nan 0.000 0.493 29 N N 0.459 119.160 118.700 0.001 0.000 2.260 29 N HA 0.210 4.949 4.740 -0.002 0.000 0.293 29 N C -0.887 174.622 175.510 -0.001 0.000 1.058 29 N CA -0.221 52.828 53.050 -0.002 0.000 0.824 29 N CB 2.191 40.670 38.487 -0.014 0.000 1.551 29 N HN -0.209 nan 8.380 nan 0.000 0.475 30 S N 1.005 116.696 115.700 -0.014 0.000 2.585 30 S HA 0.163 4.632 4.470 -0.002 0.000 0.273 30 S C 0.295 174.850 174.600 -0.074 0.000 1.339 30 S CA -0.495 57.668 58.200 -0.062 0.000 1.028 30 S CB 0.571 63.656 63.200 -0.192 0.000 0.906 30 S HN 0.383 nan 8.310 nan 0.000 0.528 31 L N 3.741 124.915 121.223 -0.082 0.000 2.361 31 L HA 0.351 4.690 4.340 -0.002 0.000 0.278 31 L C 0.135 176.959 176.870 -0.076 0.000 1.113 31 L CA 0.449 55.252 54.840 -0.063 0.000 0.849 31 L CB 0.000 42.033 42.059 -0.044 0.000 1.155 31 L HN 0.693 nan 8.230 nan 0.000 0.452 32 S N 3.747 119.412 115.700 -0.058 0.000 2.566 32 S HA 0.854 5.323 4.470 -0.002 0.000 0.298 32 S C -0.229 174.348 174.600 -0.038 0.000 1.083 32 S CA -0.517 57.649 58.200 -0.058 0.000 0.978 32 S CB 1.672 64.838 63.200 -0.057 0.000 1.073 32 S HN 0.950 nan 8.310 nan 0.000 0.491 33 A N 1.640 124.439 122.820 -0.036 0.000 2.805 33 A HA 0.684 5.003 4.320 -0.002 0.000 0.301 33 A C 1.154 178.725 177.584 -0.023 0.000 1.557 33 A CA 0.169 52.191 52.037 -0.025 0.000 1.254 33 A CB -1.573 17.413 19.000 -0.023 0.000 1.114 33 A HN 2.352 nan 8.150 nan 0.000 0.553 34 G N 0.950 109.738 108.800 -0.020 0.000 2.756 34 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.678 34 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.678 34 G C 0.548 175.435 174.900 -0.021 0.000 1.349 34 G CA 0.247 45.336 45.100 -0.017 0.000 0.847 34 G HN 0.860 nan 8.290 nan 0.000 0.548 35 Q N -0.437 119.352 119.800 -0.018 0.000 2.084 35 Q HA -0.029 4.310 4.340 -0.002 0.000 0.202 35 Q C 2.057 178.044 176.000 -0.022 0.000 0.978 35 Q CA 1.751 57.543 55.803 -0.018 0.000 0.844 35 Q CB -0.034 28.695 28.738 -0.014 0.000 0.898 35 Q HN 0.552 nan 8.270 nan 0.000 0.426 36 R N -0.302 120.186 120.500 -0.021 0.000 2.700 36 R HA 0.282 4.621 4.340 -0.002 0.000 0.377 36 R C -0.047 176.237 176.300 -0.027 0.000 1.130 36 R CA -0.107 55.979 56.100 -0.023 0.000 1.055 36 R CB 1.303 31.592 30.300 -0.019 0.000 1.387 36 R HN 0.103 nan 8.270 nan 0.000 0.580 37 G N 0.121 108.902 108.800 -0.031 0.000 2.557 37 G HA2 0.583 4.542 3.960 -0.002 0.000 0.302 37 G HA3 0.583 4.542 3.960 -0.002 0.000 0.302 37 G C -0.430 174.443 174.900 -0.045 0.000 1.311 37 G CA -0.543 44.538 45.100 -0.033 0.000 1.030 37 G HN 0.235 nan 8.290 nan 0.000 0.509 38 A N -0.688 122.104 122.820 -0.046 0.000 2.386 38 A HA 0.578 4.897 4.320 -0.002 0.000 0.248 38 A C 0.744 178.280 177.584 -0.080 0.000 1.082 38 A CA -0.023 51.978 52.037 -0.060 0.000 0.789 38 A CB 0.010 18.981 19.000 -0.048 0.000 1.025 38 A HN 0.606 nan 8.150 nan 0.000 0.490 39 T N 2.300 116.784 114.554 -0.116 0.000 2.884 39 T HA 0.409 4.758 4.350 -0.002 0.000 0.298 39 T C 0.163 174.787 174.700 -0.126 0.000 0.998 39 T CA 0.072 62.074 62.100 -0.164 0.000 1.124 39 T CB 0.103 68.795 68.868 -0.293 0.000 0.931 39 T HN 0.386 nan 8.240 nan 0.000 0.531 40 L N 3.696 124.857 121.223 -0.103 0.000 2.350 40 L HA 0.285 4.624 4.340 -0.002 0.000 0.275 40 L C 1.516 178.365 176.870 -0.036 0.000 1.099 40 L CA -0.690 54.118 54.840 -0.052 0.000 0.808 40 L CB 0.815 42.861 42.059 -0.023 0.000 1.149 40 L HN 0.552 nan 8.230 nan 0.000 0.442 41 L N 2.963 124.184 121.223 -0.004 0.000 2.127 41 L HA -0.232 4.107 4.340 -0.002 0.000 0.211 41 L C 2.459 179.373 176.870 0.073 0.000 1.089 41 L CA 1.764 56.623 54.840 0.033 0.000 0.757 41 L CB -0.491 41.588 42.059 0.034 0.000 0.899 41 L HN 0.829 nan 8.230 nan 0.000 0.434 42 Q N -1.374 118.468 119.800 0.071 0.000 2.515 42 Q HA -0.139 4.200 4.340 -0.002 0.000 0.212 42 Q C 0.267 176.374 176.000 0.179 0.000 0.970 42 Q CA 0.573 56.447 55.803 0.119 0.000 0.941 42 Q CB -0.595 28.201 28.738 0.096 0.000 0.998 42 Q HN 0.362 nan 8.270 nan 0.000 0.518 43 D N 1.245 121.711 120.400 0.110 0.000 2.489 43 D HA -0.052 4.587 4.640 -0.002 0.000 0.237 43 D C 0.291 176.662 176.300 0.120 0.000 1.212 43 D CA -0.436 53.606 54.000 0.070 0.000 1.058 43 D CB -0.127 40.681 40.800 0.013 0.000 1.098 43 D HN 0.410 nan 8.370 nan 0.000 0.509 44 F N 1.875 121.876 119.950 0.085 0.000 2.407 44 F HA 0.036 4.562 4.527 -0.002 0.000 0.299 44 F C 1.652 177.498 175.800 0.076 0.000 1.097 44 F CA 0.202 58.248 58.000 0.076 0.000 1.422 44 F CB -0.622 38.405 39.000 0.044 0.000 1.067 44 F HN 0.182 nan 8.300 nan 0.000 0.539 45 I N -0.173 119.928 120.570 -0.782 0.000 2.163 45 I HA -0.219 3.950 4.170 -0.002 0.000 0.240 45 I C 2.502 178.530 176.117 -0.149 0.000 1.081 45 I CA 1.616 62.614 61.300 -0.503 0.000 1.353 45 I CB -0.666 37.009 38.000 -0.541 0.000 1.054 45 I HN 0.227 nan 8.210 nan 0.000 0.407 46 F N 2.087 121.928 119.950 -0.182 0.000 2.065 46 F HA -0.271 4.256 4.527 -0.001 0.000 0.298 46 F C 2.747 178.527 175.800 -0.033 0.000 1.112 46 F CA 1.818 59.765 58.000 -0.088 0.000 1.212 46 F CB -0.294 38.665 39.000 -0.069 0.000 0.975 46 F HN -0.160 nan 8.300 nan 0.000 0.476 47 R N 0.006 120.556 120.500 0.083 0.000 2.092 47 R HA -0.171 4.168 4.340 -0.002 0.000 0.231 47 R C 2.129 178.397 176.300 -0.054 0.000 1.119 47 R CA 1.601 57.710 56.100 0.015 0.000 0.970 47 R CB -0.480 29.927 30.300 0.180 0.000 0.864 47 R HN 0.517 nan 8.270 nan 0.000 0.440 48 E N 1.062 121.260 120.200 -0.004 0.000 2.106 48 E HA -0.201 4.148 4.350 -0.002 0.000 0.192 48 E C 1.740 178.311 176.600 -0.048 0.000 0.984 48 E CA 1.314 57.718 56.400 0.007 0.000 0.806 48 E CB -0.174 29.569 29.700 0.071 0.000 0.750 48 E HN 0.158 nan 8.360 nan 0.000 0.458 49 K N 0.219 120.550 120.400 -0.114 0.000 2.025 49 K HA -0.070 4.249 4.320 -0.002 0.000 0.207 49 K C 1.902 178.421 176.600 -0.134 0.000 1.049 49 K CA 1.458 57.670 56.287 -0.125 0.000 0.933 49 K CB -0.029 32.370 32.500 -0.168 0.000 0.714 49 K HN 0.132 nan 8.250 nan 0.000 0.438 50 I N 1.382 121.779 120.570 -0.288 0.000 2.500 50 I HA -0.181 3.988 4.170 -0.002 0.000 0.252 50 I C 2.499 178.613 176.117 -0.006 0.000 1.142 50 I CA 1.207 62.371 61.300 -0.227 0.000 1.451 50 I CB -1.119 36.544 38.000 -0.561 0.000 1.093 50 I HN 0.414 nan 8.210 nan 0.000 0.430 51 Q N 0.806 120.599 119.800 -0.011 0.000 2.050 51 Q HA -0.202 4.137 4.340 -0.002 0.000 0.202 51 Q C 2.387 178.471 176.000 0.140 0.000 0.980 51 Q CA 1.508 57.374 55.803 0.105 0.000 0.840 51 Q CB 0.080 28.852 28.738 0.055 0.000 0.898 51 Q HN 0.244 nan 8.270 nan 0.000 0.424 52 R N -0.155 120.380 120.500 0.059 0.000 2.091 52 R HA -0.162 4.177 4.340 -0.002 0.000 0.238 52 R C 2.125 178.458 176.300 0.055 0.000 1.136 52 R CA 1.396 57.522 56.100 0.043 0.000 0.959 52 R CB -1.031 29.279 30.300 0.016 0.000 0.856 52 R HN 0.376 nan 8.270 nan 0.000 0.437 53 F N 2.531 122.449 119.950 -0.054 0.000 2.102 53 F HA -0.191 4.335 4.527 -0.001 0.000 0.298 53 F C 1.638 177.401 175.800 -0.062 0.000 1.105 53 F CA 1.668 59.626 58.000 -0.070 0.000 1.239 53 F CB -0.249 38.696 39.000 -0.092 0.000 0.991 53 F HN -0.037 nan 8.300 nan 0.000 0.474 54 D N -1.056 119.317 120.400 -0.046 0.000 2.265 54 D HA -0.179 4.460 4.640 -0.002 0.000 0.208 54 D C 1.395 177.458 176.300 -0.396 0.000 0.977 54 D CA 1.384 55.262 54.000 -0.203 0.000 0.871 54 D CB -0.430 40.322 40.800 -0.080 0.000 0.925 54 D HN 0.529 nan 8.370 nan 0.000 0.485 55 H N -0.402 118.556 119.070 -0.188 0.000 2.528 55 H HA 0.198 4.753 4.556 -0.002 0.000 0.282 55 H C 1.035 176.244 175.328 -0.198 0.000 1.097 55 H CA -0.092 55.863 56.048 -0.154 0.000 1.121 55 H CB 0.679 30.384 29.762 -0.095 0.000 1.590 55 H HN 0.260 nan 8.280 nan 0.000 0.553 56 E N 0.791 120.850 120.200 -0.234 0.000 2.153 56 E HA -0.068 4.281 4.350 -0.002 0.000 0.194 56 E C 0.540 176.979 176.600 -0.268 0.000 0.988 56 E CA 0.645 56.862 56.400 -0.305 0.000 0.811 56 E CB 0.397 29.852 29.700 -0.408 0.000 0.746 56 E HN 0.191 nan 8.360 nan 0.000 0.466 57 R N 0.952 121.344 120.500 -0.180 0.000 2.459 57 R HA 0.239 4.578 4.340 -0.002 0.000 0.281 57 R C 0.156 176.478 176.300 0.035 0.000 1.050 57 R CA -0.254 55.809 56.100 -0.062 0.000 1.055 57 R CB 1.156 31.407 30.300 -0.082 0.000 1.045 57 R HN -0.043 nan 8.270 nan 0.000 0.495 58 V N -0.685 119.311 119.914 0.136 0.000 3.046 58 V HA 0.635 4.754 4.120 -0.002 0.000 0.316 58 V C -2.385 173.758 176.094 0.083 0.000 1.104 58 V CA -2.660 59.713 62.300 0.123 0.000 1.006 58 V CB 1.611 33.546 31.823 0.188 0.000 1.058 58 V HN 0.527 nan 8.190 nan 0.000 0.440 59 P HA 0.208 nan 4.420 nan 0.000 0.268 59 P C -0.244 177.080 177.300 0.040 0.000 1.204 59 P CA -0.021 63.099 63.100 0.033 0.000 0.768 59 P CB 0.251 31.960 31.700 0.016 0.000 0.842 60 E N 2.896 123.123 120.200 0.044 0.000 2.408 60 E HA 0.090 4.439 4.350 -0.002 0.000 0.259 60 E C -0.470 176.151 176.600 0.035 0.000 1.110 60 E CA -0.666 55.766 56.400 0.052 0.000 0.929 60 E CB 0.532 30.267 29.700 0.060 0.000 0.971 60 E HN 0.270 nan 8.360 nan 0.000 0.438 61 R N 0.757 121.282 120.500 0.042 0.000 2.640 61 R HA 0.020 4.359 4.340 -0.002 0.000 0.270 61 R C 1.058 177.385 176.300 0.046 0.000 1.024 61 R CA 0.473 56.594 56.100 0.034 0.000 1.085 61 R CB 0.349 30.687 30.300 0.064 0.000 0.963 61 R HN 0.774 nan 8.270 nan 0.000 0.426 62 A N 3.256 126.095 122.820 0.030 0.000 1.972 62 A HA -0.061 4.258 4.320 -0.002 0.000 0.219 62 A C 0.843 178.470 177.584 0.071 0.000 1.169 62 A CA 1.456 53.519 52.037 0.043 0.000 0.635 62 A CB -0.137 18.885 19.000 0.036 0.000 0.810 62 A HN 0.493 nan 8.150 nan 0.000 0.446 63 V N -7.003 112.986 119.914 0.125 0.000 3.078 63 V HA 0.569 4.688 4.120 -0.002 0.000 0.311 63 V C 0.222 176.462 176.094 0.243 0.000 1.138 63 V CA -0.619 61.772 62.300 0.152 0.000 1.007 63 V CB 1.135 33.117 31.823 0.264 0.000 1.045 63 V HN 0.508 nan 8.190 nan 0.000 0.432 64 H N 0.230 119.349 119.070 0.082 0.000 2.903 64 H HA -0.214 4.341 4.556 -0.002 0.000 0.285 64 H C 1.522 176.894 175.328 0.073 0.000 1.231 64 H CA 0.768 56.862 56.048 0.076 0.000 1.135 64 H CB -1.297 28.497 29.762 0.053 0.000 1.328 64 H HN 1.190 nan 8.280 nan 0.000 0.388 65 A N 0.759 123.664 122.820 0.141 0.000 1.972 65 A HA -0.116 4.203 4.320 -0.002 0.000 0.219 65 A C 1.726 179.396 177.584 0.145 0.000 1.169 65 A CA 1.444 53.555 52.037 0.123 0.000 0.635 65 A CB -0.073 18.980 19.000 0.088 0.000 0.810 65 A HN 0.255 nan 8.150 nan 0.000 0.446 66 R N 0.066 120.656 120.500 0.150 0.000 2.204 66 R HA 0.520 4.859 4.340 -0.002 0.000 0.341 66 R C -0.073 176.360 176.300 0.222 0.000 1.035 66 R CA 0.688 56.895 56.100 0.178 0.000 0.887 66 R CB 0.220 30.616 30.300 0.161 0.000 1.114 66 R HN 0.364 nan 8.270 nan 0.000 0.473 67 G N 0.904 109.847 108.800 0.239 0.000 2.600 67 G HA2 0.560 4.519 3.960 -0.002 0.000 0.293 67 G HA3 0.560 4.519 3.960 -0.002 0.000 0.293 67 G C -1.524 173.520 174.900 0.240 0.000 1.408 67 G CA -0.565 44.657 45.100 0.204 0.000 0.782 67 G HN 0.440 nan 8.290 nan 0.000 0.482 68 T N -1.046 113.572 114.554 0.106 0.000 2.923 68 T HA 0.758 5.107 4.350 -0.002 0.000 0.311 68 T C -0.107 174.549 174.700 -0.074 0.000 1.183 68 T CA -0.131 62.061 62.100 0.154 0.000 1.020 68 T CB 2.002 71.029 68.868 0.265 0.000 1.165 68 T HN 1.255 nan 8.240 nan 0.000 0.482 69 G N 0.009 108.753 108.800 -0.094 0.000 2.569 69 G HA2 0.867 4.826 3.960 -0.002 0.000 0.300 69 G HA3 0.867 4.826 3.960 -0.002 0.000 0.300 69 G C -1.551 173.096 174.900 -0.422 0.000 1.269 69 G CA -0.769 44.074 45.100 -0.428 0.000 0.959 69 G HN 1.043 nan 8.290 nan 0.000 0.478 70 A N 0.244 122.546 122.820 -0.863 0.000 2.594 70 A HA 0.737 5.056 4.320 -0.002 0.000 0.295 70 A C -0.962 176.178 177.584 -0.740 0.000 1.071 70 A CA -0.772 50.959 52.037 -0.511 0.000 0.685 70 A CB 1.065 19.956 19.000 -0.181 0.000 1.285 70 A HN 0.729 nan 8.150 nan 0.000 0.405 71 H N -0.130 118.862 119.070 -0.129 0.000 2.551 71 H HA 0.640 5.195 4.556 -0.002 0.000 0.358 71 H C 0.636 175.912 175.328 -0.086 0.000 1.151 71 H CA 1.007 57.062 56.048 0.012 0.000 1.374 71 H CB 1.761 31.604 29.762 0.136 0.000 1.473 71 H HN 1.081 nan 8.280 nan 0.000 0.574 72 G N 0.104 108.945 108.800 0.069 0.000 2.650 72 G HA2 0.379 4.338 3.960 -0.002 0.000 0.310 72 G HA3 0.379 4.338 3.960 -0.002 0.000 0.310 72 G C -1.305 173.624 174.900 0.049 0.000 1.270 72 G CA -0.482 44.616 45.100 -0.003 0.000 0.810 72 G HN 0.516 nan 8.290 nan 0.000 0.493 73 T N 0.098 114.688 114.554 0.059 0.000 2.912 73 T HA 0.562 4.911 4.350 -0.002 0.000 0.299 73 T C -1.804 173.034 174.700 0.231 0.000 1.052 73 T CA -0.216 61.963 62.100 0.131 0.000 0.996 73 T CB 1.897 70.813 68.868 0.079 0.000 1.070 73 T HN 0.534 nan 8.240 nan 0.000 0.465 74 F N 2.137 122.190 119.950 0.171 0.000 2.469 74 F HA 0.666 5.192 4.527 -0.002 0.000 0.332 74 F C -0.325 175.632 175.800 0.261 0.000 1.103 74 F CA -0.312 57.853 58.000 0.274 0.000 0.979 74 F CB 1.640 40.927 39.000 0.478 0.000 1.137 74 F HN 0.441 nan 8.300 nan 0.000 0.463 75 T N 3.953 118.184 114.554 -0.539 0.000 2.812 75 T HA 0.275 4.624 4.350 -0.002 0.000 0.282 75 T C -0.643 173.658 174.700 -0.665 0.000 0.990 75 T CA -0.610 61.288 62.100 -0.336 0.000 0.960 75 T CB 1.379 70.198 68.868 -0.082 0.000 0.948 75 T HN 0.611 nan 8.240 nan 0.000 0.438 76 S N 1.733 117.330 115.700 -0.172 0.000 2.548 76 S HA 0.213 4.682 4.470 -0.002 0.000 0.277 76 S C 0.365 175.083 174.600 0.198 0.000 1.315 76 S CA -0.449 57.786 58.200 0.058 0.000 1.050 76 S CB 0.117 63.489 63.200 0.286 0.000 0.918 76 S HN 0.598 nan 8.310 nan 0.000 0.497 77 Y N 3.416 123.841 120.300 0.208 0.000 2.529 77 Y HA 0.325 4.874 4.550 -0.002 0.000 0.290 77 Y C 1.442 177.365 175.900 0.038 0.000 1.177 77 Y CA 0.037 58.229 58.100 0.154 0.000 1.305 77 Y CB -0.430 38.169 38.460 0.231 0.000 1.047 77 Y HN 0.763 nan 8.280 nan 0.000 0.522 78 G N -1.223 107.629 108.800 0.085 0.000 2.550 78 G HA2 0.207 4.166 3.960 -0.002 0.000 0.293 78 G HA3 0.207 4.166 3.960 -0.002 0.000 0.293 78 G C -1.932 172.614 174.900 -0.590 0.000 1.402 78 G CA -0.816 43.990 45.100 -0.489 0.000 0.784 78 G HN -0.136 nan 8.290 nan 0.000 0.482 79 D N -0.214 119.834 120.400 -0.586 0.000 2.411 79 D HA 0.227 4.866 4.640 -0.002 0.000 0.225 79 D C -0.241 175.782 176.300 -0.461 0.000 1.156 79 D CA -0.641 53.139 54.000 -0.367 0.000 0.874 79 D CB 0.540 41.210 40.800 -0.217 0.000 1.034 79 D HN 0.371 nan 8.370 nan 0.000 0.502 80 W N 2.399 123.670 121.300 -0.048 0.000 3.194 80 W HA 0.073 4.732 4.660 -0.002 0.000 0.408 80 W C 2.139 178.616 176.519 -0.070 0.000 1.072 80 W CA -0.323 56.986 57.345 -0.061 0.000 1.953 80 W CB 0.103 29.509 29.460 -0.091 0.000 1.091 80 W HN 0.417 nan 8.180 nan 0.000 0.699 81 S N -0.257 115.487 115.700 0.073 0.000 2.442 81 S HA -0.215 4.254 4.470 -0.002 0.000 0.236 81 S C 1.506 176.130 174.600 0.041 0.000 1.007 81 S CA 1.232 59.455 58.200 0.038 0.000 0.965 81 S CB -0.280 62.922 63.200 0.004 0.000 0.773 81 S HN 0.244 nan 8.310 nan 0.000 0.504 82 N N 0.848 119.580 118.700 0.054 0.000 2.494 82 N HA 0.161 4.900 4.740 -0.002 0.000 0.182 82 N C 1.202 176.753 175.510 0.068 0.000 1.076 82 N CA 0.507 53.588 53.050 0.051 0.000 0.908 82 N CB -0.049 38.463 38.487 0.041 0.000 0.967 82 N HN 0.466 nan 8.380 nan 0.000 0.449 83 L N -1.569 119.714 121.223 0.100 0.000 2.547 83 L HA 0.310 4.649 4.340 -0.002 0.000 0.218 83 L C 0.290 177.165 176.870 0.009 0.000 1.048 83 L CA 0.869 55.749 54.840 0.068 0.000 0.859 83 L CB 0.398 42.526 42.059 0.114 0.000 1.128 83 L HN -0.085 nan 8.230 nan 0.000 0.483 84 T N -1.869 112.692 114.554 0.011 0.000 2.932 84 T HA 0.538 4.887 4.350 -0.002 0.000 0.318 84 T C 0.264 174.938 174.700 -0.042 0.000 1.265 84 T CA -0.099 61.971 62.100 -0.050 0.000 1.036 84 T CB 1.567 70.365 68.868 -0.117 0.000 1.209 84 T HN 0.133 nan 8.240 nan 0.000 0.484 85 A N 2.510 125.296 122.820 -0.056 0.000 2.235 85 A HA 0.616 4.935 4.320 -0.002 0.000 0.208 85 A C 1.381 178.928 177.584 -0.062 0.000 1.172 85 A CA 0.652 52.670 52.037 -0.032 0.000 0.786 85 A CB -0.754 18.252 19.000 0.011 0.000 0.804 85 A HN 1.305 nan 8.150 nan 0.000 0.479 86 A N 0.218 122.961 122.820 -0.129 0.000 2.545 86 A HA 0.311 4.630 4.320 -0.002 0.000 0.253 86 A C 1.508 179.026 177.584 -0.109 0.000 1.074 86 A CA 0.659 52.606 52.037 -0.151 0.000 0.760 86 A CB -0.062 18.768 19.000 -0.283 0.000 1.005 86 A HN 0.473 nan 8.150 nan 0.000 0.506 87 S N 2.193 117.902 115.700 0.015 0.000 2.383 87 S HA -0.190 4.279 4.470 -0.002 0.000 0.229 87 S C 1.551 176.209 174.600 0.097 0.000 1.030 87 S CA 2.098 60.333 58.200 0.059 0.000 1.002 87 S CB -0.584 62.670 63.200 0.091 0.000 0.829 87 S HN 1.183 nan 8.310 nan 0.000 0.467 88 F N 0.581 120.528 119.950 -0.006 0.000 2.641 88 F HA 0.313 4.839 4.527 -0.002 0.000 0.298 88 F C 1.020 176.908 175.800 0.146 0.000 1.146 88 F CA 0.470 58.507 58.000 0.062 0.000 1.464 88 F CB -0.346 38.655 39.000 0.001 0.000 1.101 88 F HN 0.126 nan 8.300 nan 0.000 0.585 89 L N 0.745 121.693 121.223 -0.458 0.000 2.965 89 L HA 0.212 4.551 4.340 -0.002 0.000 0.254 89 L C 1.751 178.642 176.870 0.036 0.000 1.220 89 L CA 0.326 55.039 54.840 -0.211 0.000 1.023 89 L CB -0.088 41.710 42.059 -0.435 0.000 1.355 89 L HN 0.306 nan 8.230 nan 0.000 0.545 90 S N -0.893 114.813 115.700 0.010 0.000 2.558 90 S HA 0.377 4.846 4.470 -0.002 0.000 0.217 90 S C 0.706 175.306 174.600 -0.001 0.000 0.975 90 S CA 0.132 58.338 58.200 0.010 0.000 0.912 90 S CB 0.336 63.544 63.200 0.012 0.000 0.776 90 S HN 0.223 nan 8.310 nan 0.000 0.526 91 A N 0.785 123.616 122.820 0.019 0.000 2.547 91 A HA 0.616 4.935 4.320 -0.002 0.000 0.297 91 A C -0.729 176.860 177.584 0.009 0.000 1.056 91 A CA -0.702 51.333 52.037 -0.004 0.000 0.688 91 A CB 1.008 20.020 19.000 0.020 0.000 1.282 91 A HN 0.331 nan 8.150 nan 0.000 0.400 92 E N 0.811 120.990 120.200 -0.035 0.000 2.417 92 E HA 0.366 4.715 4.350 -0.002 0.000 0.261 92 E C 1.299 177.924 176.600 0.042 0.000 1.000 92 E CA 1.437 57.835 56.400 -0.003 0.000 0.919 92 E CB 0.187 29.859 29.700 -0.046 0.000 0.955 92 E HN 1.934 nan 8.360 nan 0.000 0.455 93 G N 4.122 112.973 108.800 0.084 0.000 2.179 93 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.260 93 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.260 93 G C 0.303 175.259 174.900 0.093 0.000 0.977 93 G CA 0.462 45.612 45.100 0.084 0.000 0.641 93 G HN 0.577 nan 8.290 nan 0.000 0.533 94 K N 1.294 121.761 120.400 0.112 0.000 2.412 94 K HA 0.379 4.698 4.320 -0.002 0.000 0.281 94 K C 0.108 176.827 176.600 0.199 0.000 1.027 94 K CA 0.158 56.531 56.287 0.143 0.000 0.989 94 K CB 0.169 32.760 32.500 0.152 0.000 0.935 94 K HN 0.467 nan 8.250 nan 0.000 0.475 95 E N 2.044 122.359 120.200 0.192 0.000 2.191 95 E HA 0.268 4.617 4.350 -0.002 0.000 0.274 95 E C -1.133 175.634 176.600 0.278 0.000 0.948 95 E CA -0.754 55.780 56.400 0.224 0.000 0.802 95 E CB 2.187 31.977 29.700 0.150 0.000 1.137 95 E HN 0.438 nan 8.360 nan 0.000 0.397 96 T N 3.342 118.121 114.554 0.374 0.000 2.881 96 T HA 0.363 4.712 4.350 -0.002 0.000 0.290 96 T C -2.636 172.249 174.700 0.309 0.000 1.000 96 T CA -1.661 60.654 62.100 0.358 0.000 0.978 96 T CB 1.657 70.811 68.868 0.476 0.000 0.997 96 T HN 0.193 nan 8.240 nan 0.000 0.443 97 P HA 0.386 nan 4.420 nan 0.000 0.272 97 P C -0.729 176.751 177.300 0.300 0.000 1.223 97 P CA -0.282 62.949 63.100 0.219 0.000 0.784 97 P CB 0.515 32.292 31.700 0.128 0.000 0.923 98 M N 1.516 121.255 119.600 0.232 0.000 2.593 98 M HA 0.536 5.015 4.480 -0.002 0.000 0.290 98 M C -1.120 175.313 176.300 0.222 0.000 1.244 98 M CA -0.654 54.699 55.300 0.088 0.000 0.857 98 M CB 2.429 34.914 32.600 -0.192 0.000 1.738 98 M HN 0.201 nan 8.290 nan 0.000 0.461 99 F N 0.064 119.963 119.950 -0.085 0.000 2.556 99 F HA 0.686 5.212 4.527 -0.002 0.000 0.314 99 F C -1.088 174.538 175.800 -0.289 0.000 1.106 99 F CA -0.114 57.778 58.000 -0.181 0.000 0.911 99 F CB 2.036 40.959 39.000 -0.128 0.000 1.190 99 F HN 0.437 nan 8.300 nan 0.000 0.448 100 T N 5.579 119.519 114.554 -1.022 0.000 2.886 100 T HA 0.496 4.845 4.350 -0.002 0.000 0.292 100 T C -1.234 172.767 174.700 -1.166 0.000 1.012 100 T CA -0.688 60.808 62.100 -1.008 0.000 0.982 100 T CB 1.785 69.941 68.868 -1.187 0.000 1.018 100 T HN 0.669 nan 8.240 nan 0.000 0.451 101 R N 1.956 121.881 120.500 -0.959 0.000 2.621 101 R HA 0.681 5.020 4.340 -0.002 0.000 0.292 101 R C -1.593 174.080 176.300 -1.045 0.000 0.969 101 R CA -0.594 55.039 56.100 -0.778 0.000 0.887 101 R CB 0.906 31.092 30.300 -0.190 0.000 1.180 101 R HN 0.444 nan 8.270 nan 0.000 0.450 102 F N 1.221 120.747 119.950 -0.706 0.000 2.507 102 F HA 0.597 5.123 4.527 -0.002 0.000 0.327 102 F C 0.183 175.628 175.800 -0.592 0.000 1.068 102 F CA -0.271 57.187 58.000 -0.903 0.000 0.965 102 F CB 2.337 40.231 39.000 -1.844 0.000 1.192 102 F HN 0.643 nan 8.300 nan 0.000 0.476 103 S N -1.180 114.523 115.700 0.004 0.000 2.611 103 S HA 0.701 5.171 4.470 -0.002 0.000 0.268 103 S C -0.722 174.115 174.600 0.396 0.000 1.156 103 S CA -0.837 57.513 58.200 0.250 0.000 0.817 103 S CB 1.363 64.726 63.200 0.272 0.000 1.122 103 S HN 0.722 nan 8.310 nan 0.000 0.466 104 T N -1.419 113.293 114.554 0.264 0.000 2.888 104 T HA 0.710 5.059 4.350 -0.002 0.000 0.283 104 T C 0.843 175.468 174.700 -0.126 0.000 1.013 104 T CA -0.264 61.856 62.100 0.034 0.000 0.938 104 T CB 0.588 69.480 68.868 0.040 0.000 1.298 104 T HN 0.600 nan 8.240 nan 0.000 0.580 105 V N -0.141 119.647 119.914 -0.211 0.000 2.743 105 V HA 0.294 4.413 4.120 -0.002 0.000 0.237 105 V C 2.778 178.779 176.094 -0.155 0.000 1.113 105 V CA 0.947 63.019 62.300 -0.379 0.000 1.141 105 V CB -0.889 30.808 31.823 -0.211 0.000 0.873 105 V HN 1.026 nan 8.190 nan 0.000 0.486 106 A N 0.436 123.224 122.820 -0.052 0.000 1.935 106 A HA 0.343 4.662 4.320 -0.002 0.000 0.214 106 A C 1.600 179.189 177.584 0.010 0.000 1.178 106 A CA 1.010 53.039 52.037 -0.014 0.000 0.640 106 A CB -0.867 18.145 19.000 0.019 0.000 0.825 106 A HN 0.538 nan 8.150 nan 0.000 0.447 107 G N -0.101 108.718 108.800 0.032 0.000 2.544 107 G HA2 0.415 4.374 3.960 -0.002 0.000 0.242 107 G HA3 0.415 4.374 3.960 -0.002 0.000 0.242 107 G C 0.159 175.088 174.900 0.048 0.000 1.247 107 G CA 0.150 45.279 45.100 0.049 0.000 0.840 107 G HN 0.269 nan 8.290 nan 0.000 0.578 108 S N -0.770 114.957 115.700 0.045 0.000 2.641 108 S HA 0.126 4.595 4.470 -0.002 0.000 0.261 108 S C 1.895 176.534 174.600 0.065 0.000 1.257 108 S CA -0.398 57.831 58.200 0.047 0.000 0.983 108 S CB 0.808 64.028 63.200 0.033 0.000 0.990 108 S HN 0.733 nan 8.310 nan 0.000 0.572 109 R N 0.036 120.578 120.500 0.070 0.000 2.357 109 R HA 0.059 4.398 4.340 -0.002 0.000 0.202 109 R C 0.968 177.315 176.300 0.077 0.000 1.047 109 R CA 1.052 57.205 56.100 0.089 0.000 1.034 109 R CB -0.461 29.899 30.300 0.101 0.000 0.875 109 R HN 0.579 nan 8.270 nan 0.000 0.473 110 G N 0.531 109.367 108.800 0.061 0.000 3.443 110 G HA2 0.024 3.983 3.960 -0.002 0.000 0.252 110 G HA3 0.024 3.983 3.960 -0.002 0.000 0.252 110 G C -0.005 174.927 174.900 0.054 0.000 1.015 110 G CA 0.018 45.146 45.100 0.046 0.000 0.891 110 G HN 0.339 nan 8.290 nan 0.000 0.510 111 S N 0.397 116.137 115.700 0.067 0.000 2.589 111 S HA 0.644 5.113 4.470 -0.002 0.000 0.265 111 S C 0.643 175.297 174.600 0.090 0.000 1.342 111 S CA 0.111 58.355 58.200 0.074 0.000 1.005 111 S CB 1.589 64.836 63.200 0.078 0.000 0.909 111 S HN 0.842 nan 8.310 nan 0.000 0.555 112 A N 1.080 123.953 122.820 0.089 0.000 2.462 112 A HA 0.265 4.584 4.320 -0.002 0.000 0.243 112 A C 0.873 178.539 177.584 0.136 0.000 1.076 112 A CA -0.470 51.623 52.037 0.094 0.000 0.773 112 A CB -0.272 18.766 19.000 0.063 0.000 1.010 112 A HN 0.885 nan 8.150 nan 0.000 0.493 113 D N 1.058 121.553 120.400 0.158 0.000 2.149 113 D HA -0.115 4.524 4.640 -0.002 0.000 0.198 113 D C 1.776 178.200 176.300 0.207 0.000 0.990 113 D CA 2.324 56.446 54.000 0.205 0.000 0.839 113 D CB -0.138 40.790 40.800 0.213 0.000 0.948 113 D HN 0.716 nan 8.370 nan 0.000 0.460 114 T N -1.915 112.736 114.554 0.161 0.000 3.273 114 T HA 0.570 4.920 4.350 -0.002 0.000 0.254 114 T C 0.566 175.378 174.700 0.186 0.000 1.002 114 T CA -0.404 61.798 62.100 0.171 0.000 0.913 114 T CB -0.078 68.817 68.868 0.045 0.000 1.056 114 T HN 0.078 nan 8.240 nan 0.000 0.576 115 A N 1.716 124.662 122.820 0.209 0.000 2.466 115 A HA 0.407 4.726 4.320 -0.002 0.000 0.238 115 A C 0.680 178.468 177.584 0.339 0.000 1.074 115 A CA -0.615 51.584 52.037 0.270 0.000 0.774 115 A CB 0.083 19.206 19.000 0.205 0.000 1.015 115 A HN 0.668 nan 8.150 nan 0.000 0.498 116 R N 1.304 122.055 120.500 0.417 0.000 2.316 116 R HA 0.342 4.681 4.340 -0.002 0.000 0.314 116 R C -1.331 175.087 176.300 0.198 0.000 1.069 116 R CA 0.043 56.329 56.100 0.309 0.000 0.959 116 R CB 0.262 30.650 30.300 0.147 0.000 0.987 116 R HN 0.851 nan 8.270 nan 0.000 0.446 117 D N 2.237 122.729 120.400 0.154 0.000 2.710 117 D HA 0.133 4.772 4.640 -0.002 0.000 0.276 117 D C -1.022 175.282 176.300 0.006 0.000 1.267 117 D CA -0.470 53.555 54.000 0.043 0.000 0.772 117 D CB 1.894 42.645 40.800 -0.083 0.000 1.299 117 D HN 0.198 nan 8.370 nan 0.000 0.421 118 V N 1.543 121.504 119.914 0.077 0.000 2.963 118 V HA 0.210 4.329 4.120 -0.002 0.000 0.306 118 V C -0.170 175.906 176.094 -0.031 0.000 1.077 118 V CA 0.400 62.783 62.300 0.137 0.000 1.124 118 V CB 0.597 32.552 31.823 0.219 0.000 0.987 118 V HN 0.485 nan 8.190 nan 0.000 0.487 119 H N 0.767 119.997 119.070 0.268 0.000 2.538 119 H HA 0.610 5.165 4.556 -0.002 0.000 0.353 119 H C 0.465 175.997 175.328 0.340 0.000 1.109 119 H CA 0.112 56.356 56.048 0.327 0.000 1.192 119 H CB 1.477 31.478 29.762 0.398 0.000 1.555 119 H HN 0.882 nan 8.280 nan 0.000 0.518 120 G N 0.867 109.944 108.800 0.462 0.000 2.503 120 G HA2 0.343 4.302 3.960 -0.002 0.000 0.257 120 G HA3 0.343 4.302 3.960 -0.002 0.000 0.257 120 G C -1.166 173.841 174.900 0.178 0.000 1.214 120 G CA -0.091 45.184 45.100 0.292 0.000 0.839 120 G HN 0.477 nan 8.290 nan 0.000 0.559 121 F N 1.712 121.553 119.950 -0.181 0.000 3.094 121 F HA 0.574 5.100 4.527 -0.002 0.000 0.385 121 F C -0.016 175.424 175.800 -0.600 0.000 1.231 121 F CA -1.310 56.480 58.000 -0.349 0.000 1.207 121 F CB 0.894 39.797 39.000 -0.161 0.000 1.703 121 F HN 0.666 nan 8.300 nan 0.000 0.610 122 A N 2.848 125.244 122.820 -0.707 0.000 2.271 122 A HA 0.746 5.065 4.320 -0.002 0.000 0.317 122 A C -0.330 176.643 177.584 -1.019 0.000 1.245 122 A CA -0.262 51.169 52.037 -1.010 0.000 0.857 122 A CB 0.461 18.439 19.000 -1.703 0.000 1.175 122 A HN 0.616 nan 8.150 nan 0.000 0.512 123 T N 0.203 114.343 114.554 -0.689 0.000 2.841 123 T HA 0.647 4.996 4.350 -0.002 0.000 0.285 123 T C -0.450 173.987 174.700 -0.438 0.000 0.991 123 T CA -0.716 61.030 62.100 -0.591 0.000 0.966 123 T CB 1.255 69.753 68.868 -0.617 0.000 0.962 123 T HN 0.758 nan 8.240 nan 0.000 0.438 124 R N 2.697 123.005 120.500 -0.319 0.000 2.393 124 R HA 0.604 4.943 4.340 -0.002 0.000 0.310 124 R C -1.479 174.439 176.300 -0.638 0.000 0.968 124 R CA -0.855 55.011 56.100 -0.391 0.000 0.867 124 R CB 0.646 30.695 30.300 -0.418 0.000 1.124 124 R HN 0.606 nan 8.270 nan 0.000 0.450 125 F N 4.349 124.009 119.950 -0.484 0.000 2.404 125 F HA 0.301 4.828 4.527 -0.002 0.000 0.354 125 F C -0.539 175.034 175.800 -0.378 0.000 1.122 125 F CA -0.646 57.109 58.000 -0.409 0.000 1.080 125 F CB 1.030 39.645 39.000 -0.641 0.000 1.131 125 F HN 0.463 nan 8.300 nan 0.000 0.471 126 Y N 1.788 122.085 120.300 -0.004 0.000 2.636 126 Y HA 0.200 4.749 4.550 -0.002 0.000 0.334 126 Y C 1.126 177.014 175.900 -0.020 0.000 1.286 126 Y CA -0.815 57.251 58.100 -0.057 0.000 1.688 126 Y CB -0.337 38.061 38.460 -0.103 0.000 1.662 126 Y HN 0.573 nan 8.280 nan 0.000 0.465 127 T N -3.156 111.444 114.554 0.078 0.000 2.849 127 T HA 0.045 4.394 4.350 -0.002 0.000 0.284 127 T C 1.026 175.769 174.700 0.072 0.000 1.004 127 T CA -0.615 61.539 62.100 0.090 0.000 1.021 127 T CB 0.992 69.900 68.868 0.065 0.000 1.013 127 T HN 0.570 nan 8.240 nan 0.000 0.527 128 D N -0.362 120.091 120.400 0.087 0.000 2.378 128 D HA -0.044 4.595 4.640 -0.002 0.000 0.227 128 D C 0.874 177.201 176.300 0.044 0.000 1.012 128 D CA 0.647 54.681 54.000 0.057 0.000 0.905 128 D CB -0.199 40.640 40.800 0.066 0.000 0.895 128 D HN 0.848 nan 8.370 nan 0.000 0.532 129 E N -0.246 119.983 120.200 0.048 0.000 2.789 129 E HA 0.461 4.810 4.350 -0.002 0.000 0.208 129 E C 0.150 176.762 176.600 0.020 0.000 0.988 129 E CA -0.256 56.167 56.400 0.038 0.000 1.092 129 E CB 0.863 30.592 29.700 0.048 0.000 1.066 129 E HN 0.318 nan 8.360 nan 0.000 0.465 130 G N 1.283 110.084 108.800 0.003 0.000 2.406 130 G HA2 -0.156 3.803 3.960 -0.002 0.000 0.680 130 G HA3 -0.156 3.803 3.960 -0.002 0.000 0.680 130 G C -1.074 173.800 174.900 -0.043 0.000 1.338 130 G CA -1.196 43.889 45.100 -0.026 0.000 0.941 130 G HN 0.033 nan 8.290 nan 0.000 0.633 131 N N -0.379 118.252 118.700 -0.114 0.000 2.497 131 N HA 0.534 5.273 4.740 -0.002 0.000 0.268 131 N C -0.733 174.752 175.510 -0.041 0.000 1.171 131 N CA 0.115 53.053 53.050 -0.187 0.000 0.948 131 N CB 0.894 39.132 38.487 -0.416 0.000 1.069 131 N HN 0.533 nan 8.380 nan 0.000 0.460 132 F N 2.153 121.974 119.950 -0.214 0.000 2.460 132 F HA 0.366 4.892 4.527 -0.002 0.000 0.341 132 F C -1.023 174.727 175.800 -0.083 0.000 1.130 132 F CA -1.369 56.529 58.000 -0.170 0.000 0.962 132 F CB 0.912 39.712 39.000 -0.333 0.000 1.171 132 F HN 0.255 nan 8.300 nan 0.000 0.436 133 D N 7.018 127.178 120.400 -0.400 0.000 2.278 133 D HA 0.419 5.058 4.640 -0.002 0.000 0.245 133 D C -0.304 175.546 176.300 -0.751 0.000 1.052 133 D CA 0.064 53.813 54.000 -0.418 0.000 0.834 133 D CB 2.338 43.116 40.800 -0.036 0.000 1.194 133 D HN 0.442 nan 8.370 nan 0.000 0.481 134 I N 1.799 121.945 120.570 -0.706 0.000 2.328 134 I HA 0.177 4.346 4.170 -0.002 0.000 0.287 134 I C -0.259 175.609 176.117 -0.414 0.000 1.012 134 I CA -0.864 60.070 61.300 -0.609 0.000 1.195 134 I CB 1.497 39.116 38.000 -0.635 0.000 1.350 134 I HN -0.046 nan 8.210 nan 0.000 0.464 135 V N 6.523 126.226 119.914 -0.352 0.000 2.270 135 V HA 0.486 4.605 4.120 -0.002 0.000 0.263 135 V C 0.758 176.704 176.094 -0.246 0.000 1.066 135 V CA -0.238 61.831 62.300 -0.384 0.000 0.857 135 V CB 0.405 31.979 31.823 -0.416 0.000 1.099 135 V HN 0.906 nan 8.190 nan 0.000 0.476 136 G N 3.391 112.065 108.800 -0.210 0.000 3.075 136 G HA2 0.662 4.621 3.960 -0.002 0.000 0.253 136 G HA3 0.662 4.621 3.960 -0.002 0.000 0.253 136 G C -0.903 173.980 174.900 -0.029 0.000 1.353 136 G CA -0.599 44.439 45.100 -0.104 0.000 1.051 136 G HN 0.486 nan 8.290 nan 0.000 0.553 137 N N -0.931 117.795 118.700 0.044 0.000 2.697 137 N HA 0.214 4.953 4.740 -0.002 0.000 0.272 137 N C 0.366 176.027 175.510 0.252 0.000 1.381 137 N CA -0.717 52.429 53.050 0.160 0.000 0.797 137 N CB 1.620 40.159 38.487 0.087 0.000 1.523 137 N HN 0.545 nan 8.380 nan 0.000 0.518 138 N N 0.320 119.230 118.700 0.349 0.000 2.383 138 N HA 0.079 4.818 4.740 -0.002 0.000 0.192 138 N C -0.433 175.302 175.510 0.374 0.000 1.141 138 N CA 0.385 53.680 53.050 0.409 0.000 0.851 138 N CB 0.622 39.372 38.487 0.439 0.000 0.976 138 N HN 0.476 nan 8.380 nan 0.000 0.465 139 I N 1.000 121.621 120.570 0.086 0.000 2.545 139 I HA 0.282 4.451 4.170 -0.002 0.000 0.292 139 I C -1.785 173.790 176.117 -0.903 0.000 1.040 139 I CA -2.378 58.586 61.300 -0.559 0.000 1.068 139 I CB 3.023 40.740 38.000 -0.472 0.000 1.251 139 I HN -0.260 nan 8.210 nan 0.000 0.424 140 P HA 0.013 nan 4.420 nan 0.000 0.245 140 P C -0.104 176.658 177.300 -0.897 0.000 1.206 140 P CA 0.565 62.811 63.100 -1.423 0.000 0.781 140 P CB 0.187 30.838 31.700 -1.747 0.000 0.994 141 V N -4.034 115.297 119.914 -0.971 0.000 2.914 141 V HA 0.693 4.812 4.120 -0.002 0.000 0.314 141 V C -0.823 174.970 176.094 -0.502 0.000 1.084 141 V CA -1.316 60.563 62.300 -0.703 0.000 0.963 141 V CB 2.222 33.524 31.823 -0.869 0.000 1.025 141 V HN -0.169 nan 8.190 nan 0.000 0.432 142 F N 1.391 121.051 119.950 -0.484 0.000 2.594 142 F HA 0.719 5.245 4.527 -0.002 0.000 0.335 142 F C 0.696 176.333 175.800 -0.272 0.000 1.058 142 F CA -1.550 56.221 58.000 -0.382 0.000 0.981 142 F CB 1.999 40.892 39.000 -0.179 0.000 1.289 142 F HN 0.489 nan 8.300 nan 0.000 0.490 143 F N 2.138 121.441 119.950 -1.078 0.000 2.216 143 F HA -0.001 4.525 4.527 -0.002 0.000 0.300 143 F C 0.817 176.457 175.800 -0.266 0.000 1.085 143 F CA 1.259 58.880 58.000 -0.632 0.000 1.326 143 F CB -0.428 38.175 39.000 -0.661 0.000 1.027 143 F HN 0.169 nan 8.300 nan 0.000 0.497 144 I N -3.214 117.398 120.570 0.070 0.000 3.002 144 I HA 0.410 4.579 4.170 -0.002 0.000 0.310 144 I C 0.187 176.430 176.117 0.209 0.000 1.087 144 I CA -0.829 60.591 61.300 0.200 0.000 1.017 144 I CB 1.947 40.142 38.000 0.326 0.000 1.226 144 I HN -0.216 nan 8.210 nan 0.000 0.443 145 Q N 0.446 120.359 119.800 0.188 0.000 2.281 145 Q HA 0.242 4.581 4.340 -0.002 0.000 0.215 145 Q C -0.727 175.439 176.000 0.276 0.000 0.867 145 Q CA 0.189 56.119 55.803 0.213 0.000 0.940 145 Q CB 0.741 29.635 28.738 0.260 0.000 1.111 145 Q HN 0.597 nan 8.270 nan 0.000 0.513 146 D N -1.169 119.370 120.400 0.231 0.000 2.964 146 D HA 0.292 4.931 4.640 -0.002 0.000 0.234 146 D C -0.046 176.361 176.300 0.178 0.000 1.223 146 D CA -0.246 53.861 54.000 0.178 0.000 0.889 146 D CB 1.793 42.674 40.800 0.135 0.000 1.609 146 D HN -0.006 nan 8.370 nan 0.000 0.523 147 A N 3.896 126.792 122.820 0.127 0.000 2.024 147 A HA -0.152 4.167 4.320 -0.002 0.000 0.220 147 A C 2.124 179.792 177.584 0.140 0.000 1.164 147 A CA 0.897 53.001 52.037 0.112 0.000 0.643 147 A CB -0.476 18.543 19.000 0.031 0.000 0.806 147 A HN 0.735 nan 8.150 nan 0.000 0.451 148 I N -0.598 120.034 120.570 0.104 0.000 2.700 148 I HA -0.150 4.019 4.170 -0.002 0.000 0.261 148 I C 1.428 177.613 176.117 0.113 0.000 1.219 148 I CA 0.903 62.252 61.300 0.083 0.000 1.463 148 I CB 0.022 38.047 38.000 0.043 0.000 1.092 148 I HN 0.311 nan 8.210 nan 0.000 0.452 149 L N -0.587 120.735 121.223 0.165 0.000 2.591 149 L HA -0.064 4.275 4.340 -0.002 0.000 0.228 149 L C 1.963 178.929 176.870 0.161 0.000 1.133 149 L CA -0.028 54.917 54.840 0.176 0.000 0.880 149 L CB -0.433 41.777 42.059 0.251 0.000 1.033 149 L HN 0.212 nan 8.230 nan 0.000 0.450 150 F N 2.493 122.460 119.950 0.028 0.000 2.102 150 F HA -0.086 4.440 4.527 -0.002 0.000 0.298 150 F C -0.449 175.265 175.800 -0.143 0.000 1.105 150 F CA 1.284 59.287 58.000 0.005 0.000 1.239 150 F CB -1.213 37.814 39.000 0.045 0.000 0.991 150 F HN 0.074 nan 8.300 nan 0.000 0.474 151 P HA -0.125 nan 4.420 nan 0.000 0.220 151 P C 1.168 178.058 177.300 -0.682 0.000 1.148 151 P CA 1.727 64.514 63.100 -0.522 0.000 0.803 151 P CB -0.062 31.402 31.700 -0.393 0.000 0.782 152 D N -0.561 119.592 120.400 -0.412 0.000 2.097 152 D HA -0.126 4.513 4.640 -0.002 0.000 0.197 152 D C 1.943 177.748 176.300 -0.824 0.000 0.984 152 D CA 0.992 54.752 54.000 -0.401 0.000 0.826 152 D CB -0.646 40.095 40.800 -0.097 0.000 0.973 152 D HN 0.084 nan 8.370 nan 0.000 0.460 153 L N 1.237 121.842 121.223 -1.030 0.000 2.012 153 L HA -0.169 4.170 4.340 -0.002 0.000 0.210 153 L C 2.086 178.444 176.870 -0.852 0.000 1.073 153 L CA 1.497 55.543 54.840 -1.323 0.000 0.748 153 L CB -0.421 41.206 42.059 -0.720 0.000 0.891 153 L HN -0.060 nan 8.230 nan 0.000 0.431 154 I N -0.671 119.467 120.570 -0.720 0.000 2.353 154 I HA -0.240 3.929 4.170 -0.002 0.000 0.248 154 I C 2.528 178.481 176.117 -0.272 0.000 1.119 154 I CA 1.417 62.396 61.300 -0.535 0.000 1.417 154 I CB -1.636 35.966 38.000 -0.664 0.000 1.078 154 I HN 0.465 nan 8.210 nan 0.000 0.421 155 H N 0.614 119.477 119.070 -0.345 0.000 2.387 155 H HA -0.090 4.465 4.556 -0.002 0.000 0.299 155 H C 2.243 177.435 175.328 -0.227 0.000 1.090 155 H CA 1.015 56.924 56.048 -0.232 0.000 1.332 155 H CB 0.271 29.927 29.762 -0.178 0.000 1.386 155 H HN 0.344 nan 8.280 nan 0.000 0.516 156 A N 0.490 123.165 122.820 -0.241 0.000 1.929 156 A HA -0.079 4.240 4.320 -0.002 0.000 0.216 156 A C 2.537 179.964 177.584 -0.262 0.000 1.176 156 A CA 1.119 52.986 52.037 -0.283 0.000 0.628 156 A CB -0.457 18.259 19.000 -0.473 0.000 0.816 156 A HN 0.197 nan 8.150 nan 0.000 0.444 157 V N 0.297 120.025 119.914 -0.311 0.000 2.488 157 V HA -0.055 4.064 4.120 -0.002 0.000 0.246 157 V C 1.237 177.373 176.094 0.070 0.000 1.046 157 V CA 0.951 63.131 62.300 -0.200 0.000 1.053 157 V CB -0.434 31.231 31.823 -0.264 0.000 0.679 157 V HN 0.375 nan 8.190 nan 0.000 0.458 158 K N 0.542 120.939 120.400 -0.005 0.000 2.149 158 K HA 0.207 4.526 4.320 -0.002 0.000 0.245 158 K C -2.272 174.310 176.600 -0.030 0.000 1.024 158 K CA -1.527 54.758 56.287 -0.004 0.000 0.899 158 K CB -0.157 32.324 32.500 -0.033 0.000 1.038 158 K HN 0.109 nan 8.250 nan 0.000 0.496 159 P HA 0.006 nan 4.420 nan 0.000 0.268 159 P C -0.440 176.774 177.300 -0.143 0.000 1.208 159 P CA 0.121 63.102 63.100 -0.199 0.000 0.777 159 P CB 0.443 32.066 31.700 -0.129 0.000 0.875 160 R N 1.307 121.712 120.500 -0.157 0.000 2.623 160 R HA 0.097 4.436 4.340 -0.002 0.000 0.271 160 R C 1.830 178.084 176.300 -0.078 0.000 1.043 160 R CA 0.581 56.634 56.100 -0.079 0.000 1.083 160 R CB -0.185 30.082 30.300 -0.054 0.000 0.974 160 R HN 0.673 nan 8.270 nan 0.000 0.436 161 G N 2.394 111.149 108.800 -0.075 0.000 2.448 161 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.219 161 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.219 161 G C 0.794 175.656 174.900 -0.064 0.000 1.127 161 G CA 0.956 46.005 45.100 -0.086 0.000 0.766 161 G HN 0.855 nan 8.290 nan 0.000 0.552 162 D N 1.134 121.505 120.400 -0.048 0.000 2.162 162 D HA -0.069 4.570 4.640 -0.002 0.000 0.205 162 D C 1.706 177.985 176.300 -0.036 0.000 0.964 162 D CA 1.289 55.267 54.000 -0.037 0.000 0.847 162 D CB -0.615 40.169 40.800 -0.027 0.000 0.988 162 D HN 0.462 nan 8.370 nan 0.000 0.480 163 N N -0.771 117.905 118.700 -0.040 0.000 2.159 163 N HA -0.008 4.731 4.740 -0.002 0.000 0.217 163 N C 0.069 175.553 175.510 -0.043 0.000 1.223 163 N CA 0.002 53.031 53.050 -0.036 0.000 0.896 163 N CB -0.165 38.304 38.487 -0.029 0.000 1.064 163 N HN 0.195 nan 8.380 nan 0.000 0.518 164 Q N 0.220 119.985 119.800 -0.058 0.000 2.451 164 Q HA -0.152 4.187 4.340 -0.002 0.000 0.305 164 Q C -1.281 174.676 176.000 -0.071 0.000 1.345 164 Q CA 0.498 56.262 55.803 -0.066 0.000 0.854 164 Q CB -1.390 27.319 28.738 -0.049 0.000 1.162 164 Q HN 0.606 nan 8.270 nan 0.000 0.440 165 I N 1.115 121.628 120.570 -0.095 0.000 2.608 165 I HA 0.576 4.745 4.170 -0.002 0.000 0.295 165 I C -2.333 173.650 176.117 -0.223 0.000 1.049 165 I CA -2.294 58.942 61.300 -0.107 0.000 1.063 165 I CB 2.259 40.221 38.000 -0.063 0.000 1.248 165 I HN 0.032 nan 8.210 nan 0.000 0.424 166 P HA 0.260 nan 4.420 nan 0.000 0.292 166 P C -1.468 175.781 177.300 -0.085 0.000 1.300 166 P CA -0.861 62.165 63.100 -0.123 0.000 0.900 166 P CB 1.416 33.085 31.700 -0.053 0.000 1.139 167 Q N 2.431 122.225 119.800 -0.010 0.000 2.313 167 Q HA 0.398 4.737 4.340 -0.002 0.000 0.266 167 Q C 0.327 176.368 176.000 0.068 0.000 0.989 167 Q CA 0.584 56.398 55.803 0.020 0.000 0.890 167 Q CB -0.616 28.141 28.738 0.032 0.000 1.200 167 Q HN 0.671 nan 8.270 nan 0.000 0.396 168 A N 2.483 125.345 122.820 0.070 0.000 2.687 168 A HA 0.103 4.422 4.320 -0.002 0.000 0.299 168 A C -0.211 177.472 177.584 0.165 0.000 1.497 168 A CA 0.985 53.086 52.037 0.107 0.000 0.751 168 A CB -1.933 17.133 19.000 0.110 0.000 1.048 168 A HN 1.443 nan 8.150 nan 0.000 0.464 169 A N -1.034 121.896 122.820 0.183 0.000 2.566 169 A HA 0.799 5.118 4.320 -0.002 0.000 0.297 169 A C 0.648 178.436 177.584 0.339 0.000 1.059 169 A CA 0.553 52.751 52.037 0.267 0.000 0.691 169 A CB 0.486 19.662 19.000 0.293 0.000 1.282 169 A HN 1.617 nan 8.150 nan 0.000 0.401 170 T N -0.844 113.894 114.554 0.307 0.000 3.086 170 T HA 0.373 4.722 4.350 -0.002 0.000 0.250 170 T C 0.869 175.781 174.700 0.354 0.000 1.074 170 T CA 0.828 63.060 62.100 0.220 0.000 0.988 170 T CB 0.017 68.992 68.868 0.179 0.000 0.988 170 T HN 1.508 nan 8.240 nan 0.000 0.530 171 A N 2.408 125.503 122.820 0.459 0.000 3.077 171 A HA 0.522 4.841 4.320 -0.002 0.000 0.255 171 A C 0.075 177.860 177.584 0.336 0.000 1.728 171 A CA -0.695 51.565 52.037 0.372 0.000 1.383 171 A CB -1.346 17.820 19.000 0.276 0.000 1.097 171 A HN 0.936 nan 8.150 nan 0.000 0.634 172 H N -3.998 115.200 119.070 0.214 0.000 3.042 172 H HA 0.482 5.037 4.556 -0.002 0.000 0.346 172 H C -0.253 175.166 175.328 0.151 0.000 1.294 172 H CA -0.770 55.347 56.048 0.115 0.000 1.141 172 H CB 0.261 30.061 29.762 0.062 0.000 1.872 172 H HN 0.056 nan 8.280 nan 0.000 0.541 173 D N 0.552 121.027 120.400 0.125 0.000 2.116 173 D HA -0.253 4.386 4.640 -0.002 0.000 0.193 173 D C 2.104 178.400 176.300 -0.007 0.000 0.998 173 D CA 3.004 57.043 54.000 0.066 0.000 0.836 173 D CB -0.175 40.662 40.800 0.062 0.000 0.951 173 D HN 0.601 nan 8.370 nan 0.000 0.449 174 S N 0.256 115.932 115.700 -0.040 0.000 2.382 174 S HA -0.126 4.343 4.470 -0.002 0.000 0.228 174 S C 2.136 176.552 174.600 -0.306 0.000 1.027 174 S CA 1.155 59.295 58.200 -0.099 0.000 0.991 174 S CB -0.543 62.652 63.200 -0.007 0.000 0.823 174 S HN 0.287 nan 8.310 nan 0.000 0.469 175 A N 1.044 123.501 122.820 -0.605 0.000 1.858 175 A HA 0.012 4.331 4.320 -0.002 0.000 0.216 175 A C 1.916 178.786 177.584 -1.191 0.000 1.190 175 A CA 1.318 52.753 52.037 -1.003 0.000 0.617 175 A CB -1.362 17.011 19.000 -1.046 0.000 0.827 175 A HN 0.741 nan 8.150 nan 0.000 0.443 176 W N -0.158 120.832 121.300 -0.516 0.000 2.467 176 W HA -0.001 4.658 4.660 -0.002 0.000 0.275 176 W C 1.867 178.314 176.519 -0.120 0.000 1.239 176 W CA 0.878 58.115 57.345 -0.180 0.000 1.266 176 W CB -0.215 29.230 29.460 -0.024 0.000 1.112 176 W HN 0.468 nan 8.180 nan 0.000 0.576 177 D N -0.256 120.155 120.400 0.018 0.000 2.084 177 D HA -0.260 4.379 4.640 -0.002 0.000 0.194 177 D C 1.897 178.176 176.300 -0.034 0.000 0.990 177 D CA 1.360 55.368 54.000 0.013 0.000 0.826 177 D CB -0.541 40.263 40.800 0.007 0.000 0.971 177 D HN 0.076 nan 8.370 nan 0.000 0.453 178 F N -0.044 119.739 119.950 -0.279 0.000 2.102 178 F HA -0.154 4.372 4.527 -0.002 0.000 0.298 178 F C 1.952 177.653 175.800 -0.166 0.000 1.105 178 F CA 1.271 59.106 58.000 -0.275 0.000 1.239 178 F CB -0.385 38.361 39.000 -0.422 0.000 0.991 178 F HN -0.088 nan 8.300 nan 0.000 0.474 179 F N 0.648 120.520 119.950 -0.130 0.000 2.126 179 F HA -0.188 4.338 4.527 -0.002 0.000 0.299 179 F C 2.925 178.631 175.800 -0.156 0.000 1.096 179 F CA 1.263 59.134 58.000 -0.215 0.000 1.255 179 F CB -1.799 37.003 39.000 -0.329 0.000 0.997 179 F HN 0.124 nan 8.300 nan 0.000 0.479 180 S N -1.311 114.461 115.700 0.120 0.000 2.470 180 S HA -0.062 4.407 4.470 -0.002 0.000 0.225 180 S C 1.667 176.275 174.600 0.013 0.000 1.006 180 S CA 0.299 58.563 58.200 0.108 0.000 0.934 180 S CB -0.252 63.044 63.200 0.160 0.000 0.778 180 S HN 0.310 nan 8.310 nan 0.000 0.517 181 Q N 0.439 120.185 119.800 -0.090 0.000 2.331 181 Q HA 0.223 4.562 4.340 -0.002 0.000 0.203 181 Q C 0.457 176.329 176.000 -0.214 0.000 0.944 181 Q CA 0.829 56.552 55.803 -0.133 0.000 0.892 181 Q CB -0.064 28.579 28.738 -0.158 0.000 0.983 181 Q HN 0.617 nan 8.270 nan 0.000 0.482 182 Q N 0.766 120.356 119.800 -0.350 0.000 2.798 182 Q HA 0.185 4.524 4.340 -0.002 0.000 0.250 182 Q C -2.087 173.768 176.000 -0.240 0.000 1.006 182 Q CA -1.866 53.705 55.803 -0.387 0.000 0.759 182 Q CB 1.283 29.518 28.738 -0.839 0.000 1.201 182 Q HN -0.079 nan 8.270 nan 0.000 0.486 183 P HA -0.141 nan 4.420 nan 0.000 0.228 183 P C 0.798 177.878 177.300 -0.367 0.000 1.151 183 P CA 0.909 63.874 63.100 -0.224 0.000 0.770 183 P CB 0.266 31.846 31.700 -0.201 0.000 0.786 184 S N 0.310 115.837 115.700 -0.289 0.000 2.419 184 S HA -0.155 4.314 4.470 -0.002 0.000 0.235 184 S C 1.917 176.412 174.600 -0.175 0.000 1.019 184 S CA 1.560 59.611 58.200 -0.247 0.000 0.982 184 S CB -1.921 61.200 63.200 -0.132 0.000 0.789 184 S HN 0.187 nan 8.310 nan 0.000 0.490 185 V N -0.371 119.483 119.914 -0.100 0.000 2.970 185 V HA 0.107 4.226 4.120 -0.002 0.000 0.260 185 V C 2.130 178.170 176.094 -0.090 0.000 1.100 185 V CA 1.068 63.385 62.300 0.028 0.000 1.122 185 V CB -1.174 30.737 31.823 0.147 0.000 0.721 185 V HN 0.497 nan 8.190 nan 0.000 0.483 186 L N -0.099 121.032 121.223 -0.153 0.000 2.083 186 L HA -0.155 4.184 4.340 -0.002 0.000 0.209 186 L C 2.748 179.581 176.870 -0.061 0.000 1.083 186 L CA 2.395 57.160 54.840 -0.126 0.000 0.752 186 L CB -0.929 41.048 42.059 -0.137 0.000 0.899 186 L HN 0.472 nan 8.230 nan 0.000 0.433 187 H N -0.421 118.524 119.070 -0.209 0.000 2.293 187 H HA -0.169 4.386 4.556 -0.002 0.000 0.300 187 H C 2.189 177.395 175.328 -0.202 0.000 1.082 187 H CA 1.662 57.609 56.048 -0.168 0.000 1.308 187 H CB 0.351 29.992 29.762 -0.201 0.000 1.375 187 H HN 0.215 nan 8.280 nan 0.000 0.495 188 T N 1.475 115.800 114.554 -0.382 0.000 2.788 188 T HA -0.157 4.192 4.350 -0.002 0.000 0.268 188 T C 2.006 176.436 174.700 -0.450 0.000 1.044 188 T CA 1.061 62.752 62.100 -0.680 0.000 1.139 188 T CB -0.346 67.735 68.868 -1.311 0.000 0.867 188 T HN 0.155 nan 8.240 nan 0.000 0.454 189 L N 0.760 121.801 121.223 -0.304 0.000 2.012 189 L HA -0.040 4.299 4.340 -0.002 0.000 0.210 189 L C 2.049 178.888 176.870 -0.052 0.000 1.073 189 L CA 1.590 56.305 54.840 -0.209 0.000 0.748 189 L CB -0.756 41.078 42.059 -0.375 0.000 0.891 189 L HN 0.124 nan 8.230 nan 0.000 0.431 190 L N -1.702 119.522 121.223 0.002 0.000 2.046 190 L HA -0.202 4.137 4.340 -0.002 0.000 0.208 190 L C 2.189 179.079 176.870 0.034 0.000 1.077 190 L CA 1.863 56.768 54.840 0.108 0.000 0.747 190 L CB -1.092 41.091 42.059 0.206 0.000 0.896 190 L HN 0.352 nan 8.230 nan 0.000 0.432 191 W N -0.775 120.267 121.300 -0.431 0.000 2.338 191 W HA -0.185 4.473 4.660 -0.002 0.000 0.304 191 W C 2.572 179.110 176.519 0.031 0.000 1.212 191 W CA 1.632 58.770 57.345 -0.345 0.000 1.264 191 W CB -0.741 28.380 29.460 -0.565 0.000 1.142 191 W HN 0.128 nan 8.180 nan 0.000 0.512 192 A N -0.960 121.976 122.820 0.193 0.000 2.014 192 A HA -0.119 4.200 4.320 -0.002 0.000 0.218 192 A C 1.895 179.606 177.584 0.212 0.000 1.163 192 A CA 1.307 53.466 52.037 0.203 0.000 0.652 192 A CB -0.484 18.596 19.000 0.132 0.000 0.808 192 A HN 0.097 nan 8.150 nan 0.000 0.449 193 M N -0.416 119.304 119.600 0.200 0.000 2.506 193 M HA 0.202 4.681 4.480 -0.002 0.000 0.260 193 M C 1.348 177.804 176.300 0.261 0.000 1.104 193 M CA 0.467 55.893 55.300 0.211 0.000 1.112 193 M CB -1.379 31.360 32.600 0.232 0.000 1.401 193 M HN 0.411 nan 8.290 nan 0.000 0.473 194 A N -0.065 122.944 122.820 0.315 0.000 2.336 194 A HA 0.564 4.883 4.320 -0.002 0.000 0.278 194 A C 1.613 179.369 177.584 0.287 0.000 1.371 194 A CA 0.208 52.452 52.037 0.345 0.000 0.842 194 A CB -0.710 18.546 19.000 0.427 0.000 1.363 194 A HN 0.400 nan 8.150 nan 0.000 0.517 195 G N -1.914 107.017 108.800 0.218 0.000 2.471 195 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.219 195 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.219 195 G C 1.062 175.936 174.900 -0.044 0.000 1.125 195 G CA 1.030 46.166 45.100 0.060 0.000 0.775 195 G HN 0.761 nan 8.290 nan 0.000 0.548 196 H N 0.538 119.717 119.070 0.181 0.000 2.489 196 H HA -0.048 4.507 4.556 -0.002 0.000 0.293 196 H C 2.711 178.199 175.328 0.266 0.000 1.066 196 H CA 1.006 57.190 56.048 0.227 0.000 1.305 196 H CB -0.315 29.680 29.762 0.389 0.000 1.386 196 H HN 0.404 nan 8.280 nan 0.000 0.551 197 G N 1.032 110.057 108.800 0.374 0.000 2.511 197 G HA2 0.007 3.966 3.960 -0.002 0.000 0.217 197 G HA3 0.007 3.966 3.960 -0.002 0.000 0.217 197 G C 1.068 176.227 174.900 0.432 0.000 1.133 197 G CA 0.395 45.730 45.100 0.393 0.000 0.792 197 G HN 0.461 nan 8.290 nan 0.000 0.539 198 I N -1.589 119.153 120.570 0.287 0.000 2.925 198 I HA 0.369 4.538 4.170 -0.002 0.000 0.296 198 I C -2.891 173.228 176.117 0.002 0.000 1.413 198 I CA -2.574 58.878 61.300 0.253 0.000 0.932 198 I CB 1.825 40.037 38.000 0.354 0.000 1.873 198 I HN -0.234 nan 8.210 nan 0.000 0.619 199 P HA 0.137 nan 4.420 nan 0.000 0.274 199 P C 0.548 177.464 177.300 -0.640 0.000 1.237 199 P CA -0.262 62.619 63.100 -0.364 0.000 0.793 199 P CB 1.375 32.882 31.700 -0.323 0.000 0.977 200 R N 1.710 121.732 120.500 -0.797 0.000 2.092 200 R HA -0.022 4.317 4.340 -0.002 0.000 0.231 200 R C 0.548 176.687 176.300 -0.270 0.000 1.119 200 R CA 1.793 57.326 56.100 -0.945 0.000 0.970 200 R CB -0.442 29.417 30.300 -0.736 0.000 0.864 200 R HN 0.690 nan 8.270 nan 0.000 0.440 201 S N -3.371 112.207 115.700 -0.204 0.000 2.615 201 S HA 0.246 4.715 4.470 -0.002 0.000 0.268 201 S C -0.045 174.385 174.600 -0.283 0.000 1.146 201 S CA -0.824 57.273 58.200 -0.171 0.000 0.818 201 S CB -0.233 63.009 63.200 0.069 0.000 1.111 201 S HN -0.026 nan 8.310 nan 0.000 0.465 202 F N 1.227 121.042 119.950 -0.225 0.000 2.502 202 F HA 0.281 4.807 4.527 -0.002 0.000 0.298 202 F C 2.429 177.989 175.800 -0.400 0.000 1.111 202 F CA 0.411 58.083 58.000 -0.547 0.000 1.445 202 F CB -0.374 37.974 39.000 -1.086 0.000 1.081 202 F HN 0.492 nan 8.300 nan 0.000 0.558 203 R N -0.983 119.436 120.500 -0.136 0.000 2.236 203 R HA -0.022 4.317 4.340 -0.002 0.000 0.208 203 R C 0.205 176.213 176.300 -0.486 0.000 1.036 203 R CA 0.779 56.700 56.100 -0.298 0.000 1.001 203 R CB -0.381 29.610 30.300 -0.515 0.000 0.896 203 R HN 0.371 nan 8.270 nan 0.000 0.464 204 H N -0.410 118.610 119.070 -0.083 0.000 2.490 204 H HA 0.178 4.733 4.556 -0.002 0.000 0.285 204 H C -0.466 174.843 175.328 -0.030 0.000 1.127 204 H CA -0.559 55.410 56.048 -0.132 0.000 0.993 204 H CB 0.592 30.190 29.762 -0.273 0.000 1.653 204 H HN -0.057 nan 8.280 nan 0.000 0.557 205 V N -2.652 117.394 119.914 0.220 0.000 3.102 205 V HA 0.550 4.669 4.120 -0.002 0.000 0.312 205 V C -0.314 176.095 176.094 0.524 0.000 1.135 205 V CA -1.211 61.285 62.300 0.327 0.000 1.022 205 V CB 2.477 34.486 31.823 0.310 0.000 1.056 205 V HN 0.105 nan 8.190 nan 0.000 0.436 206 N N 0.662 119.598 118.700 0.394 0.000 2.476 206 N HA 0.768 5.507 4.740 -0.002 0.000 0.276 206 N C -0.039 175.385 175.510 -0.142 0.000 1.204 206 N CA 0.326 53.500 53.050 0.208 0.000 0.974 206 N CB 1.840 40.322 38.487 -0.008 0.000 1.204 206 N HN 1.228 nan 8.380 nan 0.000 0.543 207 G N -0.516 107.827 108.800 -0.762 0.000 2.498 207 G HA2 0.750 4.709 3.960 -0.002 0.000 0.312 207 G HA3 0.750 4.709 3.960 -0.002 0.000 0.312 207 G C -1.531 172.706 174.900 -1.106 0.000 1.230 207 G CA -0.359 44.024 45.100 -1.194 0.000 0.968 207 G HN 0.307 nan 8.290 nan 0.000 0.481 208 F N -0.701 119.062 119.950 -0.311 0.000 2.591 208 F HA 0.484 5.010 4.527 -0.002 0.000 0.309 208 F C 1.084 176.751 175.800 -0.221 0.000 1.098 208 F CA -0.524 57.293 58.000 -0.305 0.000 0.937 208 F CB 2.552 41.337 39.000 -0.357 0.000 1.250 208 F HN 0.606 nan 8.300 nan 0.000 0.447 209 G N 0.586 109.406 108.800 0.033 0.000 2.650 209 G HA2 0.215 4.174 3.960 -0.002 0.000 0.214 209 G HA3 0.215 4.174 3.960 -0.002 0.000 0.214 209 G C 1.064 176.010 174.900 0.077 0.000 1.136 209 G CA 0.871 46.046 45.100 0.126 0.000 0.789 209 G HN 0.693 nan 8.290 nan 0.000 0.536 210 V N -0.089 119.786 119.914 -0.064 0.000 0.558 210 V HA -0.318 3.801 4.120 -0.002 0.000 0.092 210 V C 1.024 176.978 176.094 -0.232 0.000 2.022 210 V CA 2.028 64.163 62.300 -0.274 0.000 3.478 210 V CB -1.555 29.981 31.823 -0.478 0.000 0.770 210 V HN 0.613 nan 8.190 nan 0.000 0.801 211 H N 1.197 120.285 119.070 0.030 0.000 2.690 211 H HA 0.359 4.914 4.556 -0.002 0.000 0.365 211 H C 0.394 175.687 175.328 -0.058 0.000 1.142 211 H CA 0.773 56.755 56.048 -0.109 0.000 1.417 211 H CB 0.437 29.966 29.762 -0.389 0.000 1.446 211 H HN 0.536 nan 8.280 nan 0.000 0.599 212 T N 3.600 118.170 114.554 0.026 0.000 2.834 212 T HA 0.207 4.556 4.350 -0.002 0.000 0.298 212 T C 0.157 174.785 174.700 -0.120 0.000 0.966 212 T CA 0.086 62.197 62.100 0.020 0.000 1.141 212 T CB -0.218 68.670 68.868 0.034 0.000 0.905 212 T HN 0.213 nan 8.240 nan 0.000 0.535 213 F N 1.260 121.222 119.950 0.020 0.000 2.572 213 F HA 0.586 5.112 4.527 -0.002 0.000 0.342 213 F C 1.006 176.781 175.800 -0.043 0.000 1.064 213 F CA -1.288 56.738 58.000 0.042 0.000 1.008 213 F CB 1.420 40.500 39.000 0.132 0.000 1.303 213 F HN 0.216 nan 8.300 nan 0.000 0.492 214 R N 1.117 121.719 120.500 0.169 0.000 2.460 214 R HA 0.632 4.971 4.340 -0.002 0.000 0.303 214 R C -1.333 174.962 176.300 -0.008 0.000 0.968 214 R CA -0.767 55.353 56.100 0.034 0.000 0.889 214 R CB 1.390 31.687 30.300 -0.005 0.000 1.123 214 R HN 0.474 nan 8.270 nan 0.000 0.455 215 L N 2.686 123.871 121.223 -0.063 0.000 2.322 215 L HA 0.602 4.941 4.340 -0.002 0.000 0.279 215 L C -0.593 176.217 176.870 -0.100 0.000 1.036 215 L CA -1.061 53.721 54.840 -0.096 0.000 0.807 215 L CB 1.864 43.858 42.059 -0.109 0.000 1.226 215 L HN 0.283 nan 8.230 nan 0.000 0.433 216 V N 0.463 120.296 119.914 -0.136 0.000 2.623 216 V HA 0.367 4.486 4.120 -0.002 0.000 0.304 216 V C 0.194 176.245 176.094 -0.072 0.000 1.054 216 V CA -0.718 61.501 62.300 -0.136 0.000 0.882 216 V CB 2.070 33.699 31.823 -0.324 0.000 1.002 216 V HN 0.907 nan 8.190 nan 0.000 0.424 217 T N -0.586 113.975 114.554 0.012 0.000 2.847 217 T HA 0.237 4.586 4.350 -0.002 0.000 0.279 217 T C 0.782 175.571 174.700 0.147 0.000 0.984 217 T CA -0.487 61.642 62.100 0.048 0.000 0.988 217 T CB 1.026 69.916 68.868 0.037 0.000 1.040 217 T HN 0.562 nan 8.240 nan 0.000 0.528 218 D N 1.017 121.484 120.400 0.111 0.000 2.182 218 D HA -0.115 4.524 4.640 -0.002 0.000 0.201 218 D C 1.379 177.700 176.300 0.035 0.000 0.986 218 D CA 1.597 55.667 54.000 0.116 0.000 0.847 218 D CB -0.228 40.596 40.800 0.040 0.000 0.942 218 D HN 0.851 nan 8.370 nan 0.000 0.467 219 D N -1.352 119.062 120.400 0.025 0.000 2.325 219 D HA 0.164 4.803 4.640 -0.002 0.000 0.225 219 D C 1.383 177.688 176.300 0.008 0.000 1.096 219 D CA 0.576 54.563 54.000 -0.022 0.000 0.844 219 D CB 0.009 40.796 40.800 -0.021 0.000 0.925 219 D HN 0.188 nan 8.370 nan 0.000 0.513 220 G N 0.078 108.943 108.800 0.109 0.000 2.157 220 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.239 220 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.239 220 G C 0.116 175.070 174.900 0.090 0.000 0.982 220 G CA -0.092 45.110 45.100 0.169 0.000 0.650 220 G HN 0.434 nan 8.290 nan 0.000 0.527 221 K N 1.349 121.781 120.400 0.054 0.000 2.270 221 K HA 0.512 4.831 4.320 -0.002 0.000 0.276 221 K C 0.642 177.249 176.600 0.011 0.000 1.023 221 K CA 0.685 56.987 56.287 0.024 0.000 0.955 221 K CB 0.802 33.312 32.500 0.016 0.000 0.975 221 K HN 0.398 nan 8.250 nan 0.000 0.471 222 T N -0.272 114.281 114.554 -0.001 0.000 2.907 222 T HA 0.503 4.852 4.350 -0.002 0.000 0.292 222 T C -0.644 174.046 174.700 -0.017 0.000 1.043 222 T CA -1.178 60.912 62.100 -0.017 0.000 1.003 222 T CB 1.783 70.639 68.868 -0.020 0.000 1.084 222 T HN 0.198 nan 8.240 nan 0.000 0.483 223 K N 1.618 122.000 120.400 -0.028 0.000 2.385 223 K HA 0.556 4.875 4.320 -0.002 0.000 0.248 223 K C -0.784 175.797 176.600 -0.032 0.000 0.955 223 K CA -0.797 55.474 56.287 -0.027 0.000 0.816 223 K CB 2.564 35.042 32.500 -0.036 0.000 1.250 223 K HN 0.641 nan 8.250 nan 0.000 0.434 224 L N 1.794 123.005 121.223 -0.019 0.000 2.307 224 L HA 0.522 4.861 4.340 -0.002 0.000 0.282 224 L C 0.097 176.946 176.870 -0.035 0.000 1.051 224 L CA -1.068 53.765 54.840 -0.012 0.000 0.804 224 L CB 1.427 43.494 42.059 0.013 0.000 1.197 224 L HN 0.359 nan 8.230 nan 0.000 0.431 225 V N -0.248 119.621 119.914 -0.076 0.000 3.007 225 V HA 0.625 4.744 4.120 -0.002 0.000 0.311 225 V C -0.876 175.132 176.094 -0.144 0.000 1.120 225 V CA -1.052 61.148 62.300 -0.167 0.000 0.980 225 V CB 2.211 33.794 31.823 -0.399 0.000 1.033 225 V HN 0.538 nan 8.190 nan 0.000 0.429 226 K N 2.254 122.596 120.400 -0.097 0.000 2.182 226 K HA 0.605 4.924 4.320 -0.002 0.000 0.262 226 K C -1.286 175.241 176.600 -0.121 0.000 0.957 226 K CA -0.246 56.017 56.287 -0.041 0.000 0.842 226 K CB 1.820 34.371 32.500 0.086 0.000 1.099 226 K HN 0.680 nan 8.250 nan 0.000 0.438 227 F N 2.220 122.160 119.950 -0.016 0.000 2.394 227 F HA 0.250 4.776 4.527 -0.002 0.000 0.340 227 F C 1.059 176.668 175.800 -0.319 0.000 1.105 227 F CA -0.003 57.894 58.000 -0.171 0.000 1.124 227 F CB 0.786 39.613 39.000 -0.289 0.000 1.145 227 F HN 0.275 nan 8.300 nan 0.000 0.505 228 H N 1.715 120.715 119.070 -0.118 0.000 2.637 228 H HA 0.191 4.746 4.556 -0.002 0.000 0.363 228 H C -1.483 173.606 175.328 -0.399 0.000 1.131 228 H CA -0.914 54.995 56.048 -0.233 0.000 1.183 228 H CB 1.717 31.426 29.762 -0.089 0.000 1.637 228 H HN 0.692 nan 8.280 nan 0.000 0.531 229 W N 3.295 124.416 121.300 -0.298 0.000 2.299 229 W HA 0.275 4.934 4.660 -0.001 0.000 0.319 229 W C -0.142 176.379 176.519 0.002 0.000 1.008 229 W CA -0.814 56.417 57.345 -0.190 0.000 1.384 229 W CB 1.049 30.133 29.460 -0.627 0.000 1.220 229 W HN 0.127 nan 8.180 nan 0.000 0.402 230 K N 2.724 123.354 120.400 0.383 0.000 2.284 230 K HA 0.300 4.619 4.320 -0.002 0.000 0.287 230 K C 0.473 177.262 176.600 0.315 0.000 1.081 230 K CA -0.355 56.103 56.287 0.284 0.000 0.910 230 K CB 1.093 33.701 32.500 0.179 0.000 1.088 230 K HN 0.635 nan 8.250 nan 0.000 0.478 231 G N 2.517 111.457 108.800 0.233 0.000 2.398 231 G HA2 0.159 4.118 3.960 -0.002 0.000 0.246 231 G HA3 0.159 4.118 3.960 -0.002 0.000 0.246 231 G C 0.766 175.522 174.900 -0.239 0.000 1.289 231 G CA -0.467 44.469 45.100 -0.274 0.000 0.869 231 G HN 0.599 nan 8.290 nan 0.000 0.543 232 L N 1.284 122.278 121.223 -0.382 0.000 2.607 232 L HA 0.090 4.429 4.340 -0.002 0.000 0.228 232 L C 2.271 179.014 176.870 -0.212 0.000 1.123 232 L CA 0.194 54.910 54.840 -0.206 0.000 0.890 232 L CB 0.189 42.165 42.059 -0.139 0.000 1.103 232 L HN 0.453 nan 8.230 nan 0.000 0.468 233 Q N 0.315 119.934 119.800 -0.301 0.000 2.259 233 Q HA 0.331 4.670 4.340 -0.002 0.000 0.201 233 Q C 0.876 176.819 176.000 -0.095 0.000 0.938 233 Q CA 0.764 56.430 55.803 -0.229 0.000 0.872 233 Q CB 0.586 29.073 28.738 -0.418 0.000 0.971 233 Q HN 0.344 nan 8.270 nan 0.000 0.494 234 G N 0.188 108.935 108.800 -0.089 0.000 2.515 234 G HA2 -0.110 3.849 3.960 -0.002 0.000 0.686 234 G HA3 -0.110 3.849 3.960 -0.002 0.000 0.686 234 G C -1.397 173.498 174.900 -0.010 0.000 1.274 234 G CA -1.053 44.024 45.100 -0.038 0.000 0.874 234 G HN -0.006 nan 8.290 nan 0.000 0.631 235 K N 0.097 120.469 120.400 -0.046 0.000 2.276 235 K HA 0.663 4.982 4.320 -0.002 0.000 0.283 235 K C 0.271 176.697 176.600 -0.290 0.000 1.044 235 K CA 0.342 56.576 56.287 -0.088 0.000 0.944 235 K CB 1.570 34.046 32.500 -0.040 0.000 1.012 235 K HN 1.257 nan 8.250 nan 0.000 0.472 236 A N 1.918 124.477 122.820 -0.435 0.000 2.427 236 A HA 0.606 4.925 4.320 -0.002 0.000 0.298 236 A C -1.040 176.142 177.584 -0.670 0.000 1.036 236 A CA -0.631 50.920 52.037 -0.809 0.000 0.701 236 A CB 1.684 19.760 19.000 -1.540 0.000 1.250 236 A HN 0.528 nan 8.150 nan 0.000 0.412 237 S N 0.357 115.722 115.700 -0.558 0.000 2.595 237 S HA 0.829 5.298 4.470 -0.002 0.000 0.281 237 S C -0.991 173.600 174.600 -0.014 0.000 1.117 237 S CA -0.367 57.560 58.200 -0.454 0.000 0.873 237 S CB 0.765 63.595 63.200 -0.616 0.000 1.108 237 S HN 0.483 nan 8.310 nan 0.000 0.477 238 F N 1.448 121.453 119.950 0.092 0.000 2.368 238 F HA 0.532 5.058 4.527 -0.002 0.000 0.315 238 F C 0.741 176.539 175.800 -0.003 0.000 1.145 238 F CA -1.170 56.857 58.000 0.045 0.000 1.095 238 F CB 0.372 39.312 39.000 -0.100 0.000 1.286 238 F HN 0.339 nan 8.300 nan 0.000 0.530 239 V N -0.656 119.256 119.914 -0.003 0.000 2.973 239 V HA 0.176 4.295 4.120 -0.002 0.000 0.314 239 V C 0.822 176.823 176.094 -0.156 0.000 1.066 239 V CA -1.081 61.023 62.300 -0.328 0.000 1.021 239 V CB 1.378 32.830 31.823 -0.619 0.000 1.076 239 V HN 1.005 nan 8.190 nan 0.000 0.462 240 W N 1.931 123.039 121.300 -0.319 0.000 2.335 240 W HA -0.166 4.493 4.660 -0.002 0.000 0.311 240 W C 2.196 178.525 176.519 -0.317 0.000 1.213 240 W CA 2.235 59.418 57.345 -0.270 0.000 1.274 240 W CB 0.160 29.453 29.460 -0.280 0.000 1.148 240 W HN 0.957 nan 8.180 nan 0.000 0.498 241 E N 0.573 120.518 120.200 -0.426 0.000 2.204 241 E HA -0.290 4.059 4.350 -0.002 0.000 0.195 241 E C 1.741 177.892 176.600 -0.749 0.000 0.990 241 E CA 1.721 57.817 56.400 -0.507 0.000 0.821 241 E CB -0.932 28.713 29.700 -0.092 0.000 0.750 241 E HN 0.562 nan 8.360 nan 0.000 0.477 242 E N 1.213 120.805 120.200 -1.013 0.000 2.076 242 E HA -0.050 4.299 4.350 -0.002 0.000 0.190 242 E C 2.120 178.081 176.600 -1.064 0.000 0.979 242 E CA 0.878 56.407 56.400 -1.451 0.000 0.807 242 E CB -0.074 28.814 29.700 -1.354 0.000 0.761 242 E HN 0.261 nan 8.360 nan 0.000 0.454 243 A N 1.041 123.367 122.820 -0.824 0.000 1.902 243 A HA -0.236 4.083 4.320 -0.002 0.000 0.217 243 A C 2.107 179.292 177.584 -0.665 0.000 1.181 243 A CA 1.608 53.250 52.037 -0.657 0.000 0.623 243 A CB -0.530 18.354 19.000 -0.193 0.000 0.818 243 A HN 0.342 nan 8.150 nan 0.000 0.443 244 Q N -1.136 118.141 119.800 -0.872 0.000 2.050 244 Q HA -0.260 4.079 4.340 -0.002 0.000 0.202 244 Q C 2.344 178.072 176.000 -0.452 0.000 0.980 244 Q CA 1.776 57.146 55.803 -0.721 0.000 0.840 244 Q CB -0.192 28.040 28.738 -0.843 0.000 0.898 244 Q HN 0.854 nan 8.270 nan 0.000 0.424 245 Q N -0.040 119.490 119.800 -0.450 0.000 2.170 245 Q HA -0.145 4.194 4.340 -0.002 0.000 0.203 245 Q C 1.741 177.568 176.000 -0.288 0.000 0.976 245 Q CA 1.662 57.298 55.803 -0.278 0.000 0.858 245 Q CB 0.147 28.785 28.738 -0.166 0.000 0.907 245 Q HN 0.299 nan 8.270 nan 0.000 0.433 246 T N 0.298 114.585 114.554 -0.445 0.000 2.746 246 T HA -0.117 4.232 4.350 -0.002 0.000 0.267 246 T C 1.765 176.319 174.700 -0.244 0.000 1.039 246 T CA 1.126 62.967 62.100 -0.432 0.000 1.142 246 T CB -0.374 68.043 68.868 -0.752 0.000 0.866 246 T HN 0.464 nan 8.240 nan 0.000 0.444 247 A N 1.267 123.949 122.820 -0.229 0.000 1.978 247 A HA 0.099 4.418 4.320 -0.002 0.000 0.220 247 A C 2.554 180.093 177.584 -0.076 0.000 1.170 247 A CA 1.783 53.752 52.037 -0.114 0.000 0.636 247 A CB -1.153 17.781 19.000 -0.110 0.000 0.810 247 A HN 0.526 nan 8.150 nan 0.000 0.448 248 G N -1.102 107.638 108.800 -0.100 0.000 2.430 248 G HA2 -0.052 3.907 3.960 -0.002 0.000 0.216 248 G HA3 -0.052 3.907 3.960 -0.002 0.000 0.216 248 G C 1.614 176.489 174.900 -0.043 0.000 1.146 248 G CA 0.670 45.733 45.100 -0.060 0.000 0.793 248 G HN 0.389 nan 8.290 nan 0.000 0.537 249 K N -0.365 120.000 120.400 -0.057 0.000 2.276 249 K HA 0.082 4.401 4.320 -0.002 0.000 0.198 249 K C 0.092 176.689 176.600 -0.005 0.000 1.052 249 K CA 0.201 56.468 56.287 -0.034 0.000 0.984 249 K CB 0.345 32.814 32.500 -0.052 0.000 0.836 249 K HN 0.235 nan 8.250 nan 0.000 0.490 250 N N -0.056 118.647 118.700 0.006 0.000 2.732 250 N HA 0.196 4.935 4.740 -0.002 0.000 0.247 250 N C -0.143 175.421 175.510 0.089 0.000 1.305 250 N CA 0.058 53.150 53.050 0.069 0.000 0.762 250 N CB 1.091 39.672 38.487 0.157 0.000 1.361 250 N HN -0.053 nan 8.380 nan 0.000 0.545 251 A N 1.392 124.248 122.820 0.059 0.000 2.076 251 A HA -0.108 4.211 4.320 -0.002 0.000 0.220 251 A C 0.919 178.569 177.584 0.111 0.000 1.160 251 A CA 1.321 53.400 52.037 0.070 0.000 0.653 251 A CB -0.009 19.021 19.000 0.049 0.000 0.801 251 A HN 0.606 nan 8.150 nan 0.000 0.455 252 D N -1.698 118.768 120.400 0.110 0.000 2.358 252 D HA 0.109 4.748 4.640 -0.002 0.000 0.224 252 D C 0.922 177.309 176.300 0.145 0.000 1.123 252 D CA -0.256 53.810 54.000 0.110 0.000 0.833 252 D CB -0.133 40.694 40.800 0.045 0.000 0.946 252 D HN 0.468 nan 8.370 nan 0.000 0.505 253 F N 1.576 121.550 119.950 0.040 0.000 2.091 253 F HA -0.252 4.274 4.527 -0.002 0.000 0.299 253 F C 2.108 177.942 175.800 0.056 0.000 1.103 253 F CA 1.652 59.678 58.000 0.044 0.000 1.228 253 F CB 0.008 39.032 39.000 0.041 0.000 0.984 253 F HN -0.126 nan 8.300 nan 0.000 0.477 254 M N -0.020 119.684 119.600 0.174 0.000 2.236 254 M HA -0.069 4.410 4.480 -0.002 0.000 0.266 254 M C 2.222 178.583 176.300 0.101 0.000 1.070 254 M CA 1.529 56.821 55.300 -0.013 0.000 1.137 254 M CB -0.357 32.052 32.600 -0.317 0.000 1.378 254 M HN 0.151 nan 8.290 nan 0.000 0.426 255 R N 0.501 121.133 120.500 0.221 0.000 2.092 255 R HA -0.156 4.183 4.340 -0.002 0.000 0.231 255 R C 1.997 178.405 176.300 0.179 0.000 1.119 255 R CA 1.536 57.798 56.100 0.270 0.000 0.970 255 R CB -0.702 29.754 30.300 0.259 0.000 0.864 255 R HN 0.413 nan 8.270 nan 0.000 0.440 256 Q N 1.237 121.081 119.800 0.072 0.000 2.050 256 Q HA -0.227 4.112 4.340 -0.002 0.000 0.202 256 Q C 1.911 177.935 176.000 0.040 0.000 0.980 256 Q CA 2.047 57.877 55.803 0.046 0.000 0.840 256 Q CB -0.223 28.489 28.738 -0.043 0.000 0.898 256 Q HN 0.503 nan 8.270 nan 0.000 0.424 257 D N -0.079 120.257 120.400 -0.108 0.000 2.133 257 D HA -0.207 4.432 4.640 -0.002 0.000 0.195 257 D C 1.977 178.295 176.300 0.030 0.000 0.997 257 D CA 1.257 55.188 54.000 -0.116 0.000 0.840 257 D CB 0.038 40.698 40.800 -0.233 0.000 0.947 257 D HN 0.328 nan 8.370 nan 0.000 0.452 258 L N 0.042 121.332 121.223 0.113 0.000 2.027 258 L HA -0.049 4.290 4.340 -0.002 0.000 0.206 258 L C 2.333 179.309 176.870 0.177 0.000 1.074 258 L CA 1.388 56.323 54.840 0.158 0.000 0.745 258 L CB -1.110 41.092 42.059 0.238 0.000 0.898 258 L HN 0.049 nan 8.230 nan 0.000 0.433 259 F N 0.204 120.207 119.950 0.088 0.000 2.095 259 F HA -0.270 4.256 4.527 -0.001 0.000 0.298 259 F C 2.471 178.315 175.800 0.073 0.000 1.104 259 F CA 2.044 60.099 58.000 0.092 0.000 1.232 259 F CB -0.285 38.769 39.000 0.090 0.000 0.987 259 F HN 0.202 nan 8.300 nan 0.000 0.475 260 Q N -0.446 119.449 119.800 0.159 0.000 2.119 260 Q HA -0.156 4.183 4.340 -0.002 0.000 0.201 260 Q C 2.366 178.342 176.000 -0.040 0.000 0.972 260 Q CA 1.656 57.486 55.803 0.045 0.000 0.847 260 Q CB -0.284 28.515 28.738 0.102 0.000 0.903 260 Q HN 0.369 nan 8.270 nan 0.000 0.433 261 S N 0.825 116.518 115.700 -0.013 0.000 2.368 261 S HA -0.096 4.373 4.470 -0.002 0.000 0.225 261 S C 1.941 176.518 174.600 -0.038 0.000 1.030 261 S CA 0.886 59.069 58.200 -0.028 0.000 0.999 261 S CB -0.136 63.060 63.200 -0.006 0.000 0.844 261 S HN 0.293 nan 8.310 nan 0.000 0.459 262 I N 1.518 122.094 120.570 0.011 0.000 2.252 262 I HA -0.172 3.997 4.170 -0.002 0.000 0.245 262 I C 2.588 178.722 176.117 0.028 0.000 1.102 262 I CA 0.937 62.313 61.300 0.126 0.000 1.385 262 I CB -0.335 37.736 38.000 0.119 0.000 1.064 262 I HN 0.244 nan 8.210 nan 0.000 0.414 263 Q N 0.618 120.314 119.800 -0.173 0.000 2.170 263 Q HA -0.116 4.223 4.340 -0.002 0.000 0.203 263 Q C 2.249 178.188 176.000 -0.101 0.000 0.976 263 Q CA 1.670 57.363 55.803 -0.184 0.000 0.858 263 Q CB -0.343 28.204 28.738 -0.318 0.000 0.907 263 Q HN 0.553 nan 8.270 nan 0.000 0.433 264 A N -0.429 122.323 122.820 -0.114 0.000 2.238 264 A HA 0.319 4.638 4.320 -0.002 0.000 0.208 264 A C 1.450 178.902 177.584 -0.220 0.000 1.177 264 A CA 0.921 52.885 52.037 -0.121 0.000 0.804 264 A CB -0.226 18.718 19.000 -0.094 0.000 0.823 264 A HN 0.413 nan 8.150 nan 0.000 0.482 265 G N -0.502 108.087 108.800 -0.351 0.000 2.143 265 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.248 265 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.248 265 G C 0.284 174.541 174.900 -1.073 0.000 0.991 265 G CA 0.315 44.892 45.100 -0.871 0.000 0.689 265 G HN 0.598 nan 8.290 nan 0.000 0.522 266 R N 0.151 120.298 120.500 -0.588 0.000 3.171 266 R HA 0.406 4.745 4.340 -0.002 0.000 0.241 266 R C -0.396 175.779 176.300 -0.209 0.000 1.421 266 R CA -0.518 55.366 56.100 -0.359 0.000 1.444 266 R CB -0.078 30.115 30.300 -0.179 0.000 1.247 266 R HN 0.165 nan 8.270 nan 0.000 0.636 267 F N 3.652 123.582 119.950 -0.033 0.000 2.472 267 F HA 0.211 4.737 4.527 -0.002 0.000 0.364 267 F C -1.391 174.376 175.800 -0.055 0.000 1.090 267 F CA -3.142 54.844 58.000 -0.022 0.000 1.188 267 F CB 0.029 39.031 39.000 0.004 0.000 1.105 267 F HN 0.227 nan 8.300 nan 0.000 0.536 268 P HA 0.231 nan 4.420 nan 0.000 0.278 268 P C -0.952 176.283 177.300 -0.109 0.000 1.238 268 P CA -0.330 62.689 63.100 -0.135 0.000 0.794 268 P CB 1.372 32.961 31.700 -0.186 0.000 0.955 269 E N 1.051 121.028 120.200 -0.373 0.000 2.343 269 E HA 0.491 4.840 4.350 -0.002 0.000 0.270 269 E C -1.032 175.392 176.600 -0.294 0.000 0.895 269 E CA -0.493 55.850 56.400 -0.095 0.000 0.767 269 E CB 2.091 31.797 29.700 0.010 0.000 1.248 269 E HN 0.478 nan 8.360 nan 0.000 0.440 270 W N 1.032 122.428 121.300 0.159 0.000 3.022 270 W HA 0.311 4.970 4.660 -0.002 0.000 0.335 270 W C -0.419 176.329 176.519 0.381 0.000 1.133 270 W CA -0.521 56.983 57.345 0.266 0.000 1.219 270 W CB 2.047 31.701 29.460 0.323 0.000 1.409 270 W HN 0.448 nan 8.180 nan 0.000 0.507 271 E N 1.878 122.396 120.200 0.529 0.000 2.197 271 E HA 0.245 4.594 4.350 -0.002 0.000 0.281 271 E C -0.722 176.107 176.600 0.382 0.000 0.995 271 E CA -0.984 55.653 56.400 0.396 0.000 0.808 271 E CB 2.153 32.004 29.700 0.252 0.000 1.093 271 E HN 0.125 nan 8.360 nan 0.000 0.394 272 L N 2.786 124.149 121.223 0.234 0.000 2.319 272 L HA 0.459 4.799 4.340 -0.002 0.000 0.280 272 L C -0.044 176.757 176.870 -0.115 0.000 1.099 272 L CA 0.467 55.170 54.840 -0.229 0.000 0.828 272 L CB 0.735 42.611 42.059 -0.305 0.000 1.150 272 L HN 0.544 nan 8.230 nan 0.000 0.442 273 G N 4.057 112.779 108.800 -0.129 0.000 2.605 273 G HA2 0.673 4.632 3.960 -0.002 0.000 0.296 273 G HA3 0.673 4.632 3.960 -0.002 0.000 0.296 273 G C -1.603 173.266 174.900 -0.052 0.000 1.304 273 G CA -0.265 44.788 45.100 -0.078 0.000 0.941 273 G HN 0.868 nan 8.290 nan 0.000 0.475 274 V N -1.677 118.171 119.914 -0.111 0.000 2.789 274 V HA 0.635 4.754 4.120 -0.002 0.000 0.311 274 V C -0.578 175.464 176.094 -0.086 0.000 1.073 274 V CA -1.158 61.072 62.300 -0.117 0.000 0.921 274 V CB 1.590 33.253 31.823 -0.267 0.000 1.009 274 V HN 0.726 nan 8.190 nan 0.000 0.426 275 Q N 3.364 123.154 119.800 -0.017 0.000 2.314 275 Q HA 0.601 4.941 4.340 -0.002 0.000 0.257 275 Q C -0.870 175.114 176.000 -0.028 0.000 0.975 275 Q CA -0.179 55.614 55.803 -0.016 0.000 0.933 275 Q CB 1.844 30.614 28.738 0.053 0.000 1.195 275 Q HN 0.746 nan 8.270 nan 0.000 0.426 276 I N 3.908 124.462 120.570 -0.026 0.000 2.315 276 I HA 0.331 4.500 4.170 -0.002 0.000 0.291 276 I C -0.141 175.993 176.117 0.029 0.000 1.006 276 I CA -0.020 61.265 61.300 -0.024 0.000 1.265 276 I CB 0.723 38.705 38.000 -0.031 0.000 1.387 276 I HN 0.492 nan 8.210 nan 0.000 0.475 277 M N 4.604 124.225 119.600 0.036 0.000 2.691 277 M HA 0.453 4.932 4.480 -0.002 0.000 0.293 277 M C -0.872 175.445 176.300 0.028 0.000 1.259 277 M CA -0.929 54.416 55.300 0.075 0.000 0.827 277 M CB 2.079 34.765 32.600 0.144 0.000 1.753 277 M HN 0.361 nan 8.290 nan 0.000 0.465 278 Q N 0.857 120.664 119.800 0.012 0.000 2.205 278 Q HA 0.261 4.600 4.340 -0.002 0.000 0.249 278 Q C 0.460 176.441 176.000 -0.031 0.000 0.948 278 Q CA -0.338 55.456 55.803 -0.015 0.000 0.895 278 Q CB 1.142 29.864 28.738 -0.026 0.000 1.249 278 Q HN 0.601 nan 8.270 nan 0.000 0.458 279 E N 1.061 121.245 120.200 -0.028 0.000 2.130 279 E HA -0.223 4.126 4.350 -0.002 0.000 0.196 279 E C 1.300 177.867 176.600 -0.055 0.000 0.998 279 E CA 1.451 57.832 56.400 -0.031 0.000 0.806 279 E CB 0.256 29.942 29.700 -0.022 0.000 0.738 279 E HN 0.494 nan 8.360 nan 0.000 0.459 280 Q N 0.485 120.244 119.800 -0.068 0.000 2.488 280 Q HA -0.060 4.279 4.340 -0.002 0.000 0.211 280 Q C 0.922 176.823 176.000 -0.165 0.000 0.967 280 Q CA 0.625 56.371 55.803 -0.095 0.000 0.926 280 Q CB 0.139 28.828 28.738 -0.082 0.000 0.992 280 Q HN 0.171 nan 8.270 nan 0.000 0.506 281 D N -0.273 120.010 120.400 -0.195 0.000 2.340 281 D HA -0.035 4.604 4.640 -0.002 0.000 0.220 281 D C 1.064 177.136 176.300 -0.379 0.000 1.039 281 D CA 0.189 53.957 54.000 -0.386 0.000 0.866 281 D CB 0.219 40.811 40.800 -0.347 0.000 0.913 281 D HN 0.380 nan 8.370 nan 0.000 0.523 282 Q N -0.194 119.486 119.800 -0.199 0.000 2.135 282 Q HA -0.056 4.283 4.340 -0.002 0.000 0.204 282 Q C 1.640 177.546 176.000 -0.156 0.000 0.981 282 Q CA 0.928 56.659 55.803 -0.121 0.000 0.856 282 Q CB 0.270 28.978 28.738 -0.050 0.000 0.902 282 Q HN 0.331 nan 8.270 nan 0.000 0.425 283 L N -0.740 120.362 121.223 -0.201 0.000 2.781 283 L HA 0.109 4.448 4.340 -0.002 0.000 0.245 283 L C 2.010 178.725 176.870 -0.259 0.000 1.118 283 L CA -0.091 54.644 54.840 -0.176 0.000 0.918 283 L CB 0.033 42.043 42.059 -0.081 0.000 1.246 283 L HN 0.027 nan 8.230 nan 0.000 0.526 284 K N 1.183 121.348 120.400 -0.391 0.000 2.211 284 K HA -0.169 4.150 4.320 -0.002 0.000 0.204 284 K C 1.472 177.863 176.600 -0.348 0.000 1.047 284 K CA 1.696 57.740 56.287 -0.405 0.000 0.935 284 K CB -0.045 32.125 32.500 -0.551 0.000 0.728 284 K HN 0.175 nan 8.250 nan 0.000 0.452 285 F N 0.128 119.898 119.950 -0.299 0.000 2.811 285 F HA 0.210 4.736 4.527 -0.002 0.000 0.301 285 F C 1.668 177.325 175.800 -0.238 0.000 1.151 285 F CA 0.701 58.500 58.000 -0.335 0.000 1.412 285 F CB 0.157 38.794 39.000 -0.605 0.000 1.113 285 F HN 0.351 nan 8.300 nan 0.000 0.579 286 G N 0.086 108.855 108.800 -0.051 0.000 2.176 286 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.232 286 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.232 286 G C 0.075 175.103 174.900 0.214 0.000 0.986 286 G CA 0.098 45.256 45.100 0.097 0.000 0.643 286 G HN 0.410 nan 8.290 nan 0.000 0.522 287 F N -1.505 118.521 119.950 0.127 0.000 2.745 287 F HA 0.791 5.317 4.527 -0.002 0.000 0.316 287 F C -0.955 174.906 175.800 0.102 0.000 1.155 287 F CA -1.845 56.213 58.000 0.097 0.000 0.937 287 F CB 0.877 39.916 39.000 0.066 0.000 1.361 287 F HN -0.057 nan 8.300 nan 0.000 0.472 288 D N 1.473 122.047 120.400 0.290 0.000 2.232 288 D HA 0.296 4.935 4.640 -0.002 0.000 0.242 288 D C 0.857 177.298 176.300 0.235 0.000 1.093 288 D CA -0.206 53.912 54.000 0.197 0.000 0.845 288 D CB 1.662 42.657 40.800 0.325 0.000 1.124 288 D HN 0.745 nan 8.370 nan 0.000 0.467 289 L N 3.438 124.749 121.223 0.145 0.000 2.353 289 L HA -0.108 4.231 4.340 -0.002 0.000 0.220 289 L C 1.935 178.887 176.870 0.138 0.000 1.133 289 L CA 0.593 55.541 54.840 0.179 0.000 0.798 289 L CB -0.056 42.075 42.059 0.119 0.000 0.922 289 L HN 0.450 nan 8.230 nan 0.000 0.445 290 L N -1.041 120.276 121.223 0.157 0.000 2.599 290 L HA 0.031 4.370 4.340 -0.002 0.000 0.230 290 L C 0.535 177.469 176.870 0.106 0.000 1.141 290 L CA -0.010 54.939 54.840 0.181 0.000 0.877 290 L CB -0.254 41.975 42.059 0.283 0.000 1.009 290 L HN 0.109 nan 8.230 nan 0.000 0.447 291 D N 1.837 122.143 120.400 -0.157 0.000 2.347 291 D HA 0.116 4.755 4.640 -0.002 0.000 0.235 291 D C -1.648 174.479 176.300 -0.288 0.000 1.149 291 D CA -2.287 51.321 54.000 -0.654 0.000 0.850 291 D CB 1.502 41.792 40.800 -0.851 0.000 1.061 291 D HN -0.056 nan 8.370 nan 0.000 0.487 292 P HA -0.006 nan 4.420 nan 0.000 0.249 292 P C 0.714 177.895 177.300 -0.198 0.000 1.241 292 P CA 0.415 63.437 63.100 -0.131 0.000 0.781 292 P CB -0.110 31.586 31.700 -0.008 0.000 1.088 293 T N -4.308 110.105 114.554 -0.235 0.000 3.122 293 T HA 0.184 4.533 4.350 -0.002 0.000 0.250 293 T C 0.651 175.251 174.700 -0.167 0.000 1.067 293 T CA -0.206 61.759 62.100 -0.225 0.000 0.966 293 T CB -0.125 68.617 68.868 -0.209 0.000 1.002 293 T HN -0.146 nan 8.240 nan 0.000 0.542 294 K N 2.222 122.485 120.400 -0.228 0.000 2.270 294 K HA 0.563 4.882 4.320 -0.002 0.000 0.255 294 K C 0.059 176.478 176.600 -0.303 0.000 0.936 294 K CA -0.917 55.184 56.287 -0.309 0.000 0.809 294 K CB 2.472 34.682 32.500 -0.482 0.000 1.131 294 K HN 0.489 nan 8.250 nan 0.000 0.427 295 I N -1.614 118.790 120.570 -0.276 0.000 2.677 295 I HA 0.410 4.579 4.170 -0.002 0.000 0.305 295 I C -0.106 175.897 176.117 -0.191 0.000 0.988 295 I CA -1.144 60.039 61.300 -0.194 0.000 1.260 295 I CB 1.240 39.198 38.000 -0.070 0.000 1.410 295 I HN 0.012 nan 8.210 nan 0.000 0.523 296 V N 4.704 124.628 119.914 0.016 0.000 2.334 296 V HA 0.325 4.444 4.120 -0.002 0.000 0.267 296 V C -2.104 174.009 176.094 0.031 0.000 1.040 296 V CA -1.524 60.838 62.300 0.104 0.000 0.866 296 V CB 0.359 32.253 31.823 0.119 0.000 1.019 296 V HN 0.680 nan 8.190 nan 0.000 0.468 297 P HA 0.094 nan 4.420 nan 0.000 0.266 297 P C 0.782 178.071 177.300 -0.018 0.000 1.195 297 P CA 0.087 63.192 63.100 0.008 0.000 0.768 297 P CB 0.702 32.403 31.700 0.002 0.000 0.838 298 E N 1.315 121.516 120.200 0.001 0.000 2.338 298 E HA -0.192 4.157 4.350 -0.002 0.000 0.197 298 E C 1.088 177.676 176.600 -0.021 0.000 1.007 298 E CA 0.916 57.309 56.400 -0.012 0.000 0.849 298 E CB -0.014 29.692 29.700 0.009 0.000 0.774 298 E HN 0.528 nan 8.360 nan 0.000 0.506 299 E N 0.412 120.597 120.200 -0.024 0.000 2.204 299 E HA -0.132 4.217 4.350 -0.002 0.000 0.195 299 E C 1.787 178.368 176.600 -0.031 0.000 0.990 299 E CA 0.745 57.135 56.400 -0.018 0.000 0.821 299 E CB 0.059 29.752 29.700 -0.011 0.000 0.750 299 E HN 0.253 nan 8.360 nan 0.000 0.477 300 L N -0.677 120.499 121.223 -0.078 0.000 2.168 300 L HA 0.105 4.444 4.340 -0.002 0.000 0.203 300 L C 0.111 176.906 176.870 -0.124 0.000 1.078 300 L CA 0.323 55.078 54.840 -0.142 0.000 0.780 300 L CB 0.426 42.268 42.059 -0.360 0.000 0.939 300 L HN -0.109 nan 8.230 nan 0.000 0.451 301 V N 0.969 120.812 119.914 -0.118 0.000 2.524 301 V HA 0.334 4.453 4.120 -0.002 0.000 0.297 301 V C -2.351 173.721 176.094 -0.035 0.000 1.035 301 V CA -1.465 60.802 62.300 -0.054 0.000 0.867 301 V CB 1.713 33.508 31.823 -0.047 0.000 1.004 301 V HN -0.038 nan 8.190 nan 0.000 0.426 302 P HA 0.248 nan 4.420 nan 0.000 0.274 302 P C -0.514 176.755 177.300 -0.051 0.000 1.246 302 P CA -0.162 62.925 63.100 -0.021 0.000 0.795 302 P CB 1.274 32.977 31.700 0.004 0.000 1.006 303 V N 1.680 121.546 119.914 -0.079 0.000 2.406 303 V HA 0.156 4.275 4.120 -0.002 0.000 0.272 303 V C 0.705 176.764 176.094 -0.057 0.000 1.043 303 V CA 0.171 62.394 62.300 -0.129 0.000 0.915 303 V CB 0.527 32.211 31.823 -0.233 0.000 0.988 303 V HN 0.535 nan 8.190 nan 0.000 0.466 304 T N 6.772 121.287 114.554 -0.065 0.000 2.743 304 T HA 0.451 4.800 4.350 -0.002 0.000 0.293 304 T C 0.005 174.657 174.700 -0.080 0.000 0.945 304 T CA -0.259 61.815 62.100 -0.044 0.000 1.030 304 T CB 0.446 69.270 68.868 -0.073 0.000 0.912 304 T HN 0.268 nan 8.240 nan 0.000 0.483 305 I N 4.707 125.292 120.570 0.025 0.000 2.371 305 I HA 0.193 4.362 4.170 -0.002 0.000 0.290 305 I C 1.056 177.205 176.117 0.054 0.000 1.028 305 I CA -0.189 61.150 61.300 0.066 0.000 1.345 305 I CB 1.068 39.198 38.000 0.217 0.000 1.407 305 I HN 0.680 nan 8.210 nan 0.000 0.501 306 L N 5.057 126.208 121.223 -0.120 0.000 2.425 306 L HA 0.387 4.726 4.340 -0.002 0.000 0.215 306 L C 1.038 177.935 176.870 0.045 0.000 1.065 306 L CA 0.204 54.901 54.840 -0.239 0.000 0.842 306 L CB 0.232 41.971 42.059 -0.533 0.000 1.033 306 L HN 0.812 nan 8.230 nan 0.000 0.474 307 G N -0.323 108.297 108.800 -0.300 0.000 2.341 307 G HA2 0.251 4.210 3.960 -0.002 0.000 0.299 307 G HA3 0.251 4.210 3.960 -0.002 0.000 0.299 307 G C -1.994 172.440 174.900 -0.777 0.000 1.274 307 G CA -0.559 43.963 45.100 -0.963 0.000 0.853 307 G HN -0.175 nan 8.290 nan 0.000 0.493 308 K N -0.097 119.828 120.400 -0.792 0.000 2.482 308 K HA 0.618 4.937 4.320 -0.002 0.000 0.251 308 K C -0.834 175.827 176.600 0.102 0.000 0.936 308 K CA -0.761 55.451 56.287 -0.125 0.000 0.791 308 K CB 2.034 34.529 32.500 -0.009 0.000 1.213 308 K HN 0.649 nan 8.250 nan 0.000 0.428 309 M N 3.801 123.691 119.600 0.484 0.000 2.264 309 M HA 0.248 4.727 4.480 -0.002 0.000 0.352 309 M C -1.131 175.335 176.300 0.278 0.000 1.173 309 M CA -0.250 55.291 55.300 0.402 0.000 1.075 309 M CB 1.432 34.173 32.600 0.235 0.000 1.621 309 M HN 0.665 nan 8.290 nan 0.000 0.457 310 Q N 5.036 124.942 119.800 0.176 0.000 2.340 310 Q HA 0.517 4.856 4.340 -0.002 0.000 0.268 310 Q C -2.056 173.983 176.000 0.065 0.000 1.031 310 Q CA -0.725 55.163 55.803 0.142 0.000 0.804 310 Q CB 1.801 30.594 28.738 0.091 0.000 1.286 310 Q HN 0.860 nan 8.270 nan 0.000 0.448 311 L N 4.252 125.539 121.223 0.107 0.000 2.264 311 L HA 0.393 4.732 4.340 -0.002 0.000 0.289 311 L C 0.086 176.909 176.870 -0.079 0.000 1.044 311 L CA -0.381 54.469 54.840 0.017 0.000 0.807 311 L CB 0.643 42.755 42.059 0.088 0.000 1.192 311 L HN 0.771 nan 8.230 nan 0.000 0.425 312 N N 1.927 120.474 118.700 -0.254 0.000 2.142 312 N HA 0.139 4.878 4.740 -0.002 0.000 0.233 312 N C -0.182 175.113 175.510 -0.359 0.000 1.335 312 N CA -0.572 52.035 53.050 -0.738 0.000 0.837 312 N CB 0.667 38.397 38.487 -1.262 0.000 1.238 312 N HN 0.483 nan 8.380 nan 0.000 0.501 313 R N 0.273 120.730 120.500 -0.073 0.000 2.515 313 R HA 0.343 4.682 4.340 -0.002 0.000 0.278 313 R C -1.470 174.931 176.300 0.168 0.000 1.107 313 R CA -0.522 55.607 56.100 0.048 0.000 0.945 313 R CB 0.855 31.180 30.300 0.042 0.000 1.219 313 R HN 0.020 nan 8.270 nan 0.000 0.434 314 N N 3.956 122.745 118.700 0.147 0.000 2.503 314 N HA 0.275 5.014 4.740 -0.002 0.000 0.267 314 N C -2.301 173.417 175.510 0.346 0.000 1.214 314 N CA -1.189 51.999 53.050 0.229 0.000 0.959 314 N CB 0.714 39.310 38.487 0.182 0.000 1.142 314 N HN 0.416 nan 8.380 nan 0.000 0.455 315 P HA 0.074 nan 4.420 nan 0.000 0.270 315 P C 0.676 178.135 177.300 0.266 0.000 1.223 315 P CA -0.161 63.169 63.100 0.383 0.000 0.785 315 P CB 0.723 32.607 31.700 0.306 0.000 0.923 316 M N -0.212 119.491 119.600 0.171 0.000 2.287 316 M HA 0.041 4.520 4.480 -0.002 0.000 0.266 316 M C 0.844 177.195 176.300 0.085 0.000 1.079 316 M CA 1.283 56.613 55.300 0.050 0.000 1.146 316 M CB -0.970 31.521 32.600 -0.181 0.000 1.374 316 M HN 0.435 nan 8.290 nan 0.000 0.435 317 N N -0.540 118.233 118.700 0.122 0.000 2.480 317 N HA 0.039 4.778 4.740 -0.002 0.000 0.289 317 N C -0.149 175.483 175.510 0.203 0.000 1.073 317 N CA -0.086 53.058 53.050 0.157 0.000 0.885 317 N CB 1.690 40.255 38.487 0.131 0.000 1.421 317 N HN -0.013 nan 8.380 nan 0.000 0.503 318 Y N 4.735 125.112 120.300 0.129 0.000 2.128 318 Y HA -0.214 4.335 4.550 -0.002 0.000 0.284 318 Y C 1.739 177.710 175.900 0.119 0.000 1.154 318 Y CA 1.816 59.992 58.100 0.127 0.000 1.149 318 Y CB -0.219 38.308 38.460 0.112 0.000 0.976 318 Y HN 0.675 nan 8.280 nan 0.000 0.505 319 F N 0.448 120.550 119.950 0.252 0.000 2.102 319 F HA -0.192 4.334 4.527 -0.001 0.000 0.298 319 F C 2.355 178.156 175.800 0.001 0.000 1.105 319 F CA 1.918 60.001 58.000 0.139 0.000 1.239 319 F CB -0.843 38.234 39.000 0.127 0.000 0.991 319 F HN 0.081 nan 8.300 nan 0.000 0.474 320 A N -0.418 122.484 122.820 0.136 0.000 1.933 320 A HA -0.153 4.166 4.320 -0.002 0.000 0.218 320 A C 2.042 179.512 177.584 -0.189 0.000 1.175 320 A CA 2.014 54.052 52.037 0.002 0.000 0.628 320 A CB -0.612 18.449 19.000 0.102 0.000 0.814 320 A HN 0.599 nan 8.150 nan 0.000 0.444 321 E N -1.813 118.271 120.200 -0.193 0.000 2.083 321 E HA -0.006 4.343 4.350 -0.002 0.000 0.193 321 E C 2.086 178.406 176.600 -0.467 0.000 0.950 321 E CA 0.986 57.189 56.400 -0.328 0.000 0.849 321 E CB -0.162 29.441 29.700 -0.163 0.000 0.827 321 E HN 0.431 nan 8.360 nan 0.000 0.465 322 T N 1.128 115.443 114.554 -0.398 0.000 2.770 322 T HA -0.132 4.217 4.350 -0.002 0.000 0.263 322 T C 1.828 176.258 174.700 -0.450 0.000 1.039 322 T CA 1.491 63.345 62.100 -0.410 0.000 1.142 322 T CB -0.123 68.267 68.868 -0.796 0.000 0.868 322 T HN 0.027 nan 8.240 nan 0.000 0.435 323 E N 1.447 121.320 120.200 -0.546 0.000 2.106 323 E HA -0.063 4.286 4.350 -0.002 0.000 0.192 323 E C 2.117 178.473 176.600 -0.406 0.000 0.984 323 E CA 1.224 57.399 56.400 -0.376 0.000 0.806 323 E CB -0.131 29.370 29.700 -0.331 0.000 0.750 323 E HN 0.477 nan 8.360 nan 0.000 0.458 324 Q N -0.385 119.106 119.800 -0.514 0.000 2.451 324 Q HA 0.099 4.438 4.340 -0.002 0.000 0.206 324 Q C 0.009 175.809 176.000 -0.334 0.000 0.947 324 Q CA -0.072 55.483 55.803 -0.413 0.000 0.937 324 Q CB 0.687 29.176 28.738 -0.415 0.000 1.025 324 Q HN 0.128 nan 8.270 nan 0.000 0.511 325 V N 1.491 121.181 119.914 -0.372 0.000 2.585 325 V HA 0.030 4.149 4.120 -0.002 0.000 0.296 325 V C -0.249 175.616 176.094 -0.381 0.000 1.035 325 V CA 0.654 62.681 62.300 -0.456 0.000 1.084 325 V CB 0.518 31.991 31.823 -0.583 0.000 0.953 325 V HN 0.239 nan 8.190 nan 0.000 0.483 326 M N 8.161 127.519 119.600 -0.402 0.000 1.999 326 M HA 0.438 4.917 4.480 -0.002 0.000 0.299 326 M C -1.142 175.032 176.300 -0.209 0.000 0.900 326 M CA -0.041 55.115 55.300 -0.239 0.000 0.904 326 M CB 1.243 33.725 32.600 -0.196 0.000 1.477 326 M HN 0.492 nan 8.290 nan 0.000 0.403 327 F N 1.755 121.664 119.950 -0.068 0.000 2.382 327 F HA 0.437 4.963 4.527 -0.002 0.000 0.331 327 F C 0.584 176.282 175.800 -0.170 0.000 1.121 327 F CA 0.170 58.114 58.000 -0.094 0.000 1.183 327 F CB 0.822 39.728 39.000 -0.155 0.000 1.207 327 F HN 0.400 nan 8.300 nan 0.000 0.555 328 Q N 2.617 122.308 119.800 -0.181 0.000 2.295 328 Q HA 0.216 4.555 4.340 -0.002 0.000 0.268 328 Q C -2.163 173.555 176.000 -0.471 0.000 1.010 328 Q CA -1.771 53.732 55.803 -0.501 0.000 0.856 328 Q CB 2.615 30.879 28.738 -0.790 0.000 1.349 328 Q HN 0.209 nan 8.270 nan 0.000 0.412 329 P HA -0.100 nan 4.420 nan 0.000 0.225 329 P C 1.090 178.391 177.300 0.002 0.000 1.148 329 P CA 0.993 63.950 63.100 -0.239 0.000 0.779 329 P CB 0.190 31.729 31.700 -0.268 0.000 0.780 330 G N -1.451 107.271 108.800 -0.130 0.000 2.679 330 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.212 330 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.212 330 G C 0.261 175.195 174.900 0.056 0.000 1.137 330 G CA 0.034 45.139 45.100 0.008 0.000 0.787 330 G HN 0.399 nan 8.290 nan 0.000 0.534 331 H N 0.035 119.121 119.070 0.026 0.000 3.216 331 H HA 0.400 4.955 4.556 -0.002 0.000 0.263 331 H C -0.327 175.073 175.328 0.119 0.000 1.601 331 H CA -0.543 55.516 56.048 0.020 0.000 1.509 331 H CB 0.364 30.105 29.762 -0.034 0.000 1.759 331 H HN 0.192 nan 8.280 nan 0.000 0.533 332 I N 2.721 123.397 120.570 0.176 0.000 2.797 332 I HA 0.427 4.596 4.170 -0.002 0.000 0.307 332 I C -0.572 175.522 176.117 -0.039 0.000 1.033 332 I CA -1.161 60.200 61.300 0.102 0.000 1.071 332 I CB 1.478 39.421 38.000 -0.096 0.000 1.255 332 I HN 0.231 nan 8.210 nan 0.000 0.445 333 V N 3.036 122.867 119.914 -0.139 0.000 2.960 333 V HA 0.584 4.703 4.120 -0.002 0.000 0.315 333 V C -0.031 176.066 176.094 0.006 0.000 1.087 333 V CA -1.082 61.172 62.300 -0.076 0.000 0.982 333 V CB 1.531 33.253 31.823 -0.167 0.000 1.039 333 V HN 0.899 nan 8.190 nan 0.000 0.437 334 R N 1.023 121.568 120.500 0.076 0.000 2.523 334 R HA 0.340 4.679 4.340 -0.002 0.000 0.281 334 R C 1.203 177.394 176.300 -0.181 0.000 0.969 334 R CA 1.650 57.713 56.100 -0.062 0.000 1.093 334 R CB -0.203 30.108 30.300 0.019 0.000 0.917 334 R HN 1.966 nan 8.270 nan 0.000 0.408 335 G N 2.061 110.664 108.800 -0.330 0.000 2.201 335 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.212 335 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.212 335 G C -0.533 174.201 174.900 -0.276 0.000 0.994 335 G CA -0.069 44.869 45.100 -0.271 0.000 0.644 335 G HN 0.576 nan 8.290 nan 0.000 0.508 336 V N 0.440 120.181 119.914 -0.289 0.000 2.876 336 V HA 0.830 4.949 4.120 -0.002 0.000 0.312 336 V C -0.618 175.357 176.094 -0.197 0.000 1.085 336 V CA -0.471 61.699 62.300 -0.216 0.000 0.945 336 V CB 2.103 33.754 31.823 -0.288 0.000 1.017 336 V HN 0.308 nan 8.190 nan 0.000 0.428 337 D N 0.492 120.796 120.400 -0.159 0.000 2.579 337 D HA 0.603 5.242 4.640 -0.002 0.000 0.257 337 D C -1.083 175.132 176.300 -0.140 0.000 1.176 337 D CA -0.402 53.454 54.000 -0.241 0.000 0.914 337 D CB 1.920 42.611 40.800 -0.182 0.000 1.431 337 D HN 0.153 nan 8.370 nan 0.000 0.454 338 F N 0.044 120.098 119.950 0.173 0.000 2.375 338 F HA 0.478 5.004 4.527 -0.002 0.000 0.313 338 F C 1.445 177.235 175.800 -0.016 0.000 1.176 338 F CA -0.354 57.684 58.000 0.064 0.000 1.142 338 F CB 0.831 39.847 39.000 0.026 0.000 1.275 338 F HN 0.191 nan 8.300 nan 0.000 0.544 339 T N -3.035 111.577 114.554 0.097 0.000 2.910 339 T HA 0.431 4.780 4.350 -0.002 0.000 0.287 339 T C 0.078 174.781 174.700 0.004 0.000 1.050 339 T CA -0.747 61.370 62.100 0.028 0.000 1.011 339 T CB 1.494 70.347 68.868 -0.025 0.000 1.195 339 T HN 0.406 nan 8.240 nan 0.000 0.540 340 E N 0.537 120.745 120.200 0.014 0.000 2.463 340 E HA 0.118 4.467 4.350 -0.002 0.000 0.191 340 E C 0.065 176.678 176.600 0.021 0.000 1.083 340 E CA -0.106 56.300 56.400 0.009 0.000 0.872 340 E CB -0.229 29.482 29.700 0.018 0.000 0.966 340 E HN 0.592 nan 8.360 nan 0.000 0.491 341 D N 1.087 121.495 120.400 0.013 0.000 2.502 341 D HA -0.073 4.566 4.640 -0.002 0.000 0.249 341 D C -1.686 174.624 176.300 0.016 0.000 1.188 341 D CA -1.285 52.750 54.000 0.059 0.000 0.890 341 D CB 1.102 41.896 40.800 -0.010 0.000 1.140 341 D HN -0.025 nan 8.370 nan 0.000 0.505 342 P HA -0.060 nan 4.420 nan 0.000 0.226 342 P C 1.388 178.713 177.300 0.041 0.000 1.153 342 P CA 0.125 63.258 63.100 0.056 0.000 0.777 342 P CB 0.266 32.025 31.700 0.098 0.000 0.794 343 L N -0.700 120.570 121.223 0.078 0.000 2.044 343 L HA -0.045 4.294 4.340 -0.002 0.000 0.205 343 L C 2.095 178.908 176.870 -0.094 0.000 1.075 343 L CA 1.496 56.387 54.840 0.085 0.000 0.747 343 L CB -1.414 40.794 42.059 0.248 0.000 0.903 343 L HN -0.134 nan 8.230 nan 0.000 0.435 344 L N -0.618 120.368 121.223 -0.394 0.000 2.042 344 L HA -0.223 4.116 4.340 -0.002 0.000 0.210 344 L C 2.486 179.130 176.870 -0.377 0.000 1.076 344 L CA 1.767 56.177 54.840 -0.716 0.000 0.749 344 L CB -0.895 40.540 42.059 -1.041 0.000 0.893 344 L HN 0.370 nan 8.230 nan 0.000 0.432 345 Q N -0.196 119.448 119.800 -0.261 0.000 2.045 345 Q HA -0.169 4.170 4.340 -0.002 0.000 0.206 345 Q C 2.112 178.019 176.000 -0.155 0.000 0.991 345 Q CA 1.921 57.599 55.803 -0.208 0.000 0.851 345 Q CB -0.928 27.737 28.738 -0.122 0.000 0.911 345 Q HN 0.684 nan 8.270 nan 0.000 0.418 346 G N 0.390 109.135 108.800 -0.091 0.000 2.448 346 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.218 346 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.218 346 G C 1.519 176.427 174.900 0.014 0.000 1.135 346 G CA 0.224 45.307 45.100 -0.027 0.000 0.784 346 G HN 0.248 nan 8.290 nan 0.000 0.543 347 R N -0.137 120.340 120.500 -0.038 0.000 2.117 347 R HA -0.025 4.314 4.340 -0.002 0.000 0.243 347 R C 2.518 178.875 176.300 0.095 0.000 1.143 347 R CA 1.044 57.174 56.100 0.051 0.000 0.968 347 R CB -0.489 29.821 30.300 0.017 0.000 0.863 347 R HN 0.347 nan 8.270 nan 0.000 0.444 348 L N -0.447 120.730 121.223 -0.077 0.000 2.079 348 L HA -0.228 4.111 4.340 -0.002 0.000 0.210 348 L C 2.332 179.204 176.870 0.003 0.000 1.081 348 L CA 1.271 56.033 54.840 -0.130 0.000 0.752 348 L CB -0.515 41.351 42.059 -0.320 0.000 0.896 348 L HN 0.167 nan 8.230 nan 0.000 0.433 349 F N 0.278 120.182 119.950 -0.076 0.000 2.113 349 F HA -0.234 4.292 4.527 -0.002 0.000 0.297 349 F C 2.847 178.631 175.800 -0.026 0.000 1.103 349 F CA 1.721 59.692 58.000 -0.047 0.000 1.248 349 F CB -0.354 38.617 39.000 -0.049 0.000 0.999 349 F HN -0.030 nan 8.300 nan 0.000 0.475 350 S N -0.787 114.873 115.700 -0.067 0.000 2.368 350 S HA -0.237 4.232 4.470 -0.002 0.000 0.225 350 S C 2.021 176.428 174.600 -0.322 0.000 1.030 350 S CA 1.572 59.630 58.200 -0.237 0.000 0.999 350 S CB -0.760 62.338 63.200 -0.169 0.000 0.844 350 S HN 0.516 nan 8.310 nan 0.000 0.459 351 Y N 0.693 120.831 120.300 -0.270 0.000 2.373 351 Y HA 0.159 4.709 4.550 -0.002 0.000 0.293 351 Y C 2.008 177.715 175.900 -0.322 0.000 1.129 351 Y CA 0.554 58.492 58.100 -0.270 0.000 1.226 351 Y CB -0.331 37.983 38.460 -0.242 0.000 1.000 351 Y HN 0.291 nan 8.280 nan 0.000 0.549 352 L N 0.128 121.251 121.223 -0.168 0.000 2.095 352 L HA -0.106 4.233 4.340 -0.002 0.000 0.204 352 L C 1.909 178.620 176.870 -0.266 0.000 1.080 352 L CA 1.904 56.640 54.840 -0.174 0.000 0.759 352 L CB -0.628 41.371 42.059 -0.100 0.000 0.914 352 L HN 0.136 nan 8.230 nan 0.000 0.439 353 D N -1.680 118.470 120.400 -0.416 0.000 2.097 353 D HA -0.229 4.410 4.640 -0.002 0.000 0.197 353 D C 2.079 178.200 176.300 -0.298 0.000 0.984 353 D CA 1.688 55.444 54.000 -0.406 0.000 0.826 353 D CB -0.126 40.246 40.800 -0.714 0.000 0.973 353 D HN 0.287 nan 8.370 nan 0.000 0.460 354 T N -0.978 113.385 114.554 -0.319 0.000 2.915 354 T HA -0.112 4.237 4.350 -0.002 0.000 0.269 354 T C 1.578 176.109 174.700 -0.281 0.000 1.071 354 T CA 0.991 62.939 62.100 -0.254 0.000 1.132 354 T CB -0.199 68.515 68.868 -0.255 0.000 0.878 354 T HN 0.121 nan 8.240 nan 0.000 0.479 355 Q N 0.762 120.290 119.800 -0.453 0.000 2.291 355 Q HA 0.087 4.426 4.340 -0.002 0.000 0.205 355 Q C 2.329 178.081 176.000 -0.412 0.000 0.970 355 Q CA 0.719 56.131 55.803 -0.651 0.000 0.876 355 Q CB -0.567 27.247 28.738 -1.539 0.000 0.935 355 Q HN 0.520 nan 8.270 nan 0.000 0.455 356 L N 1.243 122.324 121.223 -0.237 0.000 2.083 356 L HA -0.172 4.167 4.340 -0.002 0.000 0.209 356 L C 2.415 179.286 176.870 0.002 0.000 1.083 356 L CA 1.201 56.042 54.840 0.003 0.000 0.752 356 L CB -0.594 41.483 42.059 0.030 0.000 0.899 356 L HN 0.323 nan 8.230 nan 0.000 0.433 357 N N 0.819 119.488 118.700 -0.052 0.000 2.106 357 N HA -0.186 4.553 4.740 -0.002 0.000 0.188 357 N C 2.040 177.542 175.510 -0.014 0.000 1.029 357 N CA 1.389 54.423 53.050 -0.028 0.000 0.848 357 N CB 0.093 38.555 38.487 -0.042 0.000 1.007 357 N HN 0.300 nan 8.380 nan 0.000 0.423 358 R N -1.013 119.464 120.500 -0.038 0.000 2.073 358 R HA -0.103 4.236 4.340 -0.002 0.000 0.229 358 R C 2.122 178.455 176.300 0.056 0.000 1.120 358 R CA 1.414 57.508 56.100 -0.010 0.000 0.967 358 R CB -0.406 29.858 30.300 -0.059 0.000 0.862 358 R HN 0.404 nan 8.270 nan 0.000 0.436 359 H N -0.975 118.076 119.070 -0.032 0.000 2.525 359 H HA 0.129 4.684 4.556 -0.002 0.000 0.275 359 H C 0.972 176.333 175.328 0.055 0.000 0.984 359 H CA 1.082 57.150 56.048 0.034 0.000 1.264 359 H CB 0.443 30.272 29.762 0.112 0.000 1.432 359 H HN 0.369 nan 8.280 nan 0.000 0.549 360 G N -1.104 107.722 108.800 0.044 0.000 2.143 360 G HA2 -0.096 3.863 3.960 -0.002 0.000 0.249 360 G HA3 -0.096 3.863 3.960 -0.002 0.000 0.249 360 G C 0.520 175.435 174.900 0.025 0.000 0.981 360 G CA 0.367 45.465 45.100 -0.004 0.000 0.665 360 G HN 0.971 nan 8.290 nan 0.000 0.528 361 G N -1.670 107.217 108.800 0.144 0.000 2.451 361 G HA2 0.728 4.687 3.960 -0.002 0.000 0.292 361 G HA3 0.728 4.687 3.960 -0.002 0.000 0.292 361 G C -2.186 172.929 174.900 0.360 0.000 1.427 361 G CA 0.309 45.520 45.100 0.185 0.000 0.792 361 G HN 0.209 nan 8.290 nan 0.000 0.498 362 P HA 0.100 nan 4.420 nan 0.000 0.245 362 P C 0.237 177.411 177.300 -0.210 0.000 1.206 362 P CA 0.307 63.477 63.100 0.116 0.000 0.781 362 P CB 0.404 32.128 31.700 0.039 0.000 0.994 363 N N 0.445 119.108 118.700 -0.062 0.000 2.451 363 N HA 0.095 4.834 4.740 -0.002 0.000 0.264 363 N C 0.841 176.093 175.510 -0.430 0.000 1.167 363 N CA -0.232 52.676 53.050 -0.237 0.000 0.898 363 N CB -0.512 37.944 38.487 -0.051 0.000 1.176 363 N HN 0.222 nan 8.380 nan 0.000 0.507 364 F N 0.275 119.954 119.950 -0.451 0.000 2.365 364 F HA 0.141 4.667 4.527 -0.002 0.000 0.300 364 F C 1.608 177.168 175.800 -0.400 0.000 1.090 364 F CA 0.478 57.984 58.000 -0.823 0.000 1.408 364 F CB -0.166 38.486 39.000 -0.580 0.000 1.060 364 F HN -0.090 nan 8.300 nan 0.000 0.534 365 E N 1.055 120.996 120.200 -0.430 0.000 2.478 365 E HA -0.115 4.234 4.350 -0.002 0.000 0.198 365 E C 1.616 178.133 176.600 -0.138 0.000 1.046 365 E CA 0.557 56.846 56.400 -0.184 0.000 0.870 365 E CB -0.409 29.179 29.700 -0.186 0.000 0.818 365 E HN 0.707 nan 8.360 nan 0.000 0.527 366 Q N 0.087 119.776 119.800 -0.184 0.000 2.425 366 Q HA 0.138 4.477 4.340 -0.002 0.000 0.204 366 Q C 0.561 176.440 176.000 -0.202 0.000 0.933 366 Q CA -0.071 55.639 55.803 -0.155 0.000 0.939 366 Q CB 0.316 28.913 28.738 -0.235 0.000 1.044 366 Q HN 0.218 nan 8.270 nan 0.000 0.513 367 L N 2.211 123.311 121.223 -0.204 0.000 2.490 367 L HA -0.025 4.314 4.340 -0.002 0.000 0.274 367 L C -1.501 175.202 176.870 -0.278 0.000 1.201 367 L CA -1.165 53.541 54.840 -0.222 0.000 0.869 367 L CB 0.109 42.056 42.059 -0.185 0.000 1.123 367 L HN -0.106 nan 8.230 nan 0.000 0.484 368 P HA -0.253 nan 4.420 nan 0.000 0.217 368 P C 1.586 178.756 177.300 -0.217 0.000 1.158 368 P CA 1.280 64.013 63.100 -0.612 0.000 0.887 368 P CB 0.174 31.247 31.700 -1.045 0.000 0.792 369 I N -1.088 119.340 120.570 -0.236 0.000 2.567 369 I HA -0.154 4.015 4.170 -0.002 0.000 0.257 369 I C 1.280 177.316 176.117 -0.134 0.000 1.184 369 I CA 1.594 62.762 61.300 -0.219 0.000 1.451 369 I CB -0.562 37.192 38.000 -0.410 0.000 1.089 369 I HN -0.099 nan 8.210 nan 0.000 0.441 370 N N 0.203 118.818 118.700 -0.140 0.000 2.325 370 N HA 0.098 4.837 4.740 -0.002 0.000 0.182 370 N C 0.341 175.818 175.510 -0.055 0.000 1.088 370 N CA 0.086 53.065 53.050 -0.119 0.000 0.879 370 N CB 0.087 38.498 38.487 -0.127 0.000 0.983 370 N HN 0.311 nan 8.380 nan 0.000 0.471 371 R N 1.836 122.336 120.500 -0.001 0.000 2.623 371 R HA 0.112 4.451 4.340 -0.002 0.000 0.271 371 R C -2.086 174.205 176.300 -0.015 0.000 1.043 371 R CA -0.826 55.300 56.100 0.044 0.000 1.083 371 R CB -0.019 30.415 30.300 0.222 0.000 0.974 371 R HN 0.115 nan 8.270 nan 0.000 0.436 372 P HA 0.119 nan 4.420 nan 0.000 0.276 372 P C -0.637 176.506 177.300 -0.262 0.000 1.252 372 P CA -0.369 62.677 63.100 -0.090 0.000 0.802 372 P CB 0.767 32.413 31.700 -0.090 0.000 1.035 373 R N 0.254 120.603 120.500 -0.251 0.000 3.179 373 R HA 0.617 4.956 4.340 -0.002 0.000 0.317 373 R C 0.061 176.277 176.300 -0.140 0.000 1.331 373 R CA -0.383 55.512 56.100 -0.341 0.000 1.184 373 R CB -0.533 29.574 30.300 -0.322 0.000 1.408 373 R HN 0.512 nan 8.270 nan 0.000 0.598 374 A N 0.976 123.732 122.820 -0.106 0.000 2.587 374 A HA 0.717 5.036 4.320 -0.002 0.000 0.293 374 A C -2.742 174.793 177.584 -0.083 0.000 1.087 374 A CA -1.537 50.465 52.037 -0.059 0.000 0.692 374 A CB 1.547 20.526 19.000 -0.036 0.000 1.291 374 A HN -0.009 nan 8.150 nan 0.000 0.407 375 P HA 0.442 nan 4.420 nan 0.000 0.269 375 P C -0.942 176.169 177.300 -0.316 0.000 1.209 375 P CA 0.182 63.160 63.100 -0.203 0.000 0.776 375 P CB 0.345 31.986 31.700 -0.099 0.000 0.876 376 I N 3.621 123.891 120.570 -0.500 0.000 2.339 376 I HA 0.271 4.440 4.170 -0.002 0.000 0.290 376 I C 0.108 175.826 176.117 -0.665 0.000 0.994 376 I CA -0.342 60.692 61.300 -0.442 0.000 1.191 376 I CB 0.677 38.459 38.000 -0.364 0.000 1.343 376 I HN 0.299 nan 8.210 nan 0.000 0.458 377 H N 5.649 124.663 119.070 -0.093 0.000 3.177 377 H HA 0.418 4.973 4.556 -0.002 0.000 0.314 377 H C -1.229 174.063 175.328 -0.060 0.000 1.059 377 H CA -0.826 55.173 56.048 -0.082 0.000 1.515 377 H CB 1.193 30.917 29.762 -0.063 0.000 1.672 377 H HN 0.748 nan 8.280 nan 0.000 0.514 378 N N 0.676 119.396 118.700 0.034 0.000 3.277 378 N HA 0.105 4.844 4.740 -0.002 0.000 0.278 378 N C -0.400 175.115 175.510 0.008 0.000 1.544 378 N CA -0.724 52.337 53.050 0.019 0.000 0.869 378 N CB 0.523 39.014 38.487 0.007 0.000 1.584 378 N HN -0.000 nan 8.380 nan 0.000 0.564 379 N N -0.764 117.943 118.700 0.012 0.000 2.235 379 N HA 0.155 4.894 4.740 -0.002 0.000 0.209 379 N C -0.839 174.688 175.510 0.028 0.000 1.122 379 N CA -0.150 52.911 53.050 0.019 0.000 0.845 379 N CB -0.456 38.045 38.487 0.025 0.000 1.004 379 N HN 0.441 nan 8.380 nan 0.000 0.499 380 N N 1.735 120.445 118.700 0.018 0.000 2.454 380 N HA 0.090 4.829 4.740 -0.002 0.000 0.254 380 N C 0.209 175.733 175.510 0.023 0.000 1.228 380 N CA 0.522 53.582 53.050 0.016 0.000 0.900 380 N CB 0.794 39.280 38.487 -0.000 0.000 1.089 380 N HN -0.019 nan 8.380 nan 0.000 0.449 381 R N 1.246 121.763 120.500 0.028 0.000 2.774 381 R HA 0.337 4.676 4.340 -0.002 0.000 0.272 381 R C -0.138 176.181 176.300 0.032 0.000 1.000 381 R CA -0.529 55.592 56.100 0.036 0.000 0.906 381 R CB 1.169 31.494 30.300 0.041 0.000 1.227 381 R HN 0.581 nan 8.270 nan 0.000 0.468 382 D N 0.061 120.484 120.400 0.038 0.000 3.369 382 D HA -0.190 4.449 4.640 -0.002 0.000 0.217 382 D C 0.268 176.582 176.300 0.024 0.000 1.532 382 D CA 2.064 56.083 54.000 0.031 0.000 1.126 382 D CB -1.014 39.804 40.800 0.029 0.000 0.683 382 D HN 0.905 nan 8.370 nan 0.000 0.827 383 G N -0.942 107.872 108.800 0.022 0.000 2.721 383 G HA2 0.409 4.368 3.960 -0.002 0.000 0.686 383 G HA3 0.409 4.368 3.960 -0.002 0.000 0.686 383 G C 0.120 175.033 174.900 0.022 0.000 1.236 383 G CA 0.383 45.496 45.100 0.023 0.000 0.786 383 G HN 1.529 nan 8.290 nan 0.000 0.616 384 A N 0.624 123.458 122.820 0.024 0.000 2.587 384 A HA 0.624 4.943 4.320 -0.002 0.000 0.233 384 A C 2.108 179.705 177.584 0.021 0.000 1.049 384 A CA 2.163 54.209 52.037 0.015 0.000 0.754 384 A CB -0.103 18.902 19.000 0.008 0.000 0.977 384 A HN 2.960 nan 8.150 nan 0.000 0.509 385 G N 0.571 109.373 108.800 0.003 0.000 2.246 385 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.273 385 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.273 385 G C 0.115 175.011 174.900 -0.005 0.000 1.055 385 G CA 0.643 45.746 45.100 0.005 0.000 0.851 385 G HN 1.473 nan 8.290 nan 0.000 0.500 386 Q N -0.044 119.750 119.800 -0.011 0.000 2.300 386 Q HA 0.559 4.898 4.340 -0.002 0.000 0.262 386 Q C 1.413 177.376 176.000 -0.062 0.000 1.109 386 Q CA -0.241 55.552 55.803 -0.017 0.000 0.905 386 Q CB 0.350 29.100 28.738 0.019 0.000 1.280 386 Q HN 0.285 nan 8.270 nan 0.000 0.426 387 M N 3.431 122.923 119.600 -0.179 0.000 2.428 387 M HA 0.204 4.683 4.480 -0.002 0.000 0.239 387 M C -0.720 175.367 176.300 -0.356 0.000 1.121 387 M CA 0.262 55.382 55.300 -0.300 0.000 1.019 387 M CB -0.131 32.205 32.600 -0.441 0.000 1.485 387 M HN 0.431 nan 8.290 nan 0.000 0.484 388 F N 0.121 120.074 119.950 0.005 0.000 2.497 388 F HA 0.539 5.065 4.527 -0.001 0.000 0.331 388 F C 0.339 176.142 175.800 0.006 0.000 1.060 388 F CA -1.297 56.706 58.000 0.005 0.000 0.989 388 F CB 0.992 39.990 39.000 -0.004 0.000 1.245 388 F HN -0.222 nan 8.300 nan 0.000 0.486 389 I N 3.010 123.727 120.570 0.244 0.000 2.464 389 I HA 0.285 4.454 4.170 -0.002 0.000 0.277 389 I C -2.407 173.766 176.117 0.094 0.000 1.040 389 I CA -1.813 59.563 61.300 0.127 0.000 1.153 389 I CB 0.934 38.987 38.000 0.088 0.000 1.274 389 I HN 0.283 nan 8.210 nan 0.000 0.469 390 P HA 0.216 nan 4.420 nan 0.000 0.271 390 P C 0.671 177.990 177.300 0.031 0.000 1.226 390 P CA -0.249 62.874 63.100 0.038 0.000 0.765 390 P CB 1.013 32.734 31.700 0.036 0.000 0.835 391 L N 0.649 121.884 121.223 0.021 0.000 2.341 391 L HA 0.019 4.358 4.340 -0.002 0.000 0.214 391 L C 0.862 177.739 176.870 0.011 0.000 1.115 391 L CA 0.610 55.461 54.840 0.018 0.000 0.820 391 L CB -0.264 41.803 42.059 0.014 0.000 0.944 391 L HN 0.387 nan 8.230 nan 0.000 0.452 392 D N 1.243 121.646 120.400 0.006 0.000 2.336 392 D HA 0.080 4.720 4.640 -0.002 0.000 0.249 392 D C -1.528 174.778 176.300 0.010 0.000 1.213 392 D CA -2.010 51.987 54.000 -0.005 0.000 0.870 392 D CB 1.204 41.990 40.800 -0.024 0.000 1.076 392 D HN -0.041 nan 8.370 nan 0.000 0.483 393 P HA 0.088 nan 4.420 nan 0.000 0.249 393 P C -0.547 176.797 177.300 0.074 0.000 1.229 393 P CA 0.035 63.160 63.100 0.042 0.000 0.788 393 P CB 0.359 32.083 31.700 0.040 0.000 1.072 394 N N 0.985 119.714 118.700 0.049 0.000 2.976 394 N HA 0.282 5.021 4.740 -0.002 0.000 0.255 394 N C -0.374 175.094 175.510 -0.071 0.000 1.312 394 N CA -0.248 52.854 53.050 0.087 0.000 0.897 394 N CB 1.167 39.655 38.487 0.001 0.000 1.184 394 N HN -0.013 nan 8.380 nan 0.000 0.497 395 A N 2.219 125.107 122.820 0.114 0.000 3.126 395 A HA 0.352 4.671 4.320 -0.002 0.000 0.268 395 A C -0.752 176.919 177.584 0.145 0.000 1.605 395 A CA -0.252 51.821 52.037 0.059 0.000 1.305 395 A CB -0.910 18.136 19.000 0.077 0.000 1.160 395 A HN 0.548 nan 8.150 nan 0.000 0.609 396 Y N -2.698 117.609 120.300 0.011 0.000 2.592 396 Y HA 0.753 5.302 4.550 -0.002 0.000 0.334 396 Y C -0.515 175.391 175.900 0.011 0.000 1.136 396 Y CA -1.347 56.760 58.100 0.012 0.000 1.042 396 Y CB 0.602 39.068 38.460 0.011 0.000 1.325 396 Y HN -0.009 nan 8.280 nan 0.000 0.457 397 S N 2.324 118.092 115.700 0.112 0.000 2.542 397 S HA 0.730 5.199 4.470 -0.002 0.000 0.293 397 S C -2.745 171.946 174.600 0.151 0.000 1.089 397 S CA -1.159 57.078 58.200 0.061 0.000 0.961 397 S CB 1.400 64.616 63.200 0.027 0.000 1.062 397 S HN 0.652 nan 8.310 nan 0.000 0.483 398 P HA 0.459 nan 4.420 nan 0.000 0.278 398 P C -1.098 176.271 177.300 0.116 0.000 1.238 398 P CA -0.589 62.557 63.100 0.077 0.000 0.794 398 P CB 0.259 31.997 31.700 0.063 0.000 0.955 399 N N -1.627 117.062 118.700 -0.019 0.000 2.262 399 N HA 0.468 5.207 4.740 -0.002 0.000 0.295 399 N C 0.313 175.809 175.510 -0.025 0.000 1.161 399 N CA -0.684 52.334 53.050 -0.054 0.000 0.767 399 N CB 1.314 39.478 38.487 -0.539 0.000 1.499 399 N HN 0.306 nan 8.380 nan 0.000 0.476 400 T N -3.500 111.069 114.554 0.025 0.000 2.990 400 T HA 0.167 4.516 4.350 -0.002 0.000 0.249 400 T C 0.848 175.544 174.700 -0.007 0.000 1.039 400 T CA 0.066 62.170 62.100 0.007 0.000 1.036 400 T CB -0.144 68.741 68.868 0.028 0.000 0.994 400 T HN 0.396 nan 8.240 nan 0.000 0.489 401 E N 2.021 122.225 120.200 0.007 0.000 2.265 401 E HA -0.031 4.318 4.350 -0.002 0.000 0.196 401 E C 1.032 177.606 176.600 -0.044 0.000 0.996 401 E CA 0.822 57.227 56.400 0.008 0.000 0.832 401 E CB -0.170 29.577 29.700 0.079 0.000 0.756 401 E HN 0.535 nan 8.360 nan 0.000 0.491 402 N N 0.139 118.778 118.700 -0.103 0.000 2.338 402 N HA 0.044 4.783 4.740 -0.002 0.000 0.251 402 N C -0.841 174.617 175.510 -0.085 0.000 1.199 402 N CA -0.046 52.944 53.050 -0.100 0.000 0.879 402 N CB 0.015 38.417 38.487 -0.142 0.000 1.159 402 N HN -0.122 nan 8.380 nan 0.000 0.514 403 K N -0.539 119.823 120.400 -0.063 0.000 3.069 403 K HA -0.203 4.116 4.320 -0.002 0.000 0.267 403 K C 0.634 177.200 176.600 -0.057 0.000 1.082 403 K CA 0.613 56.871 56.287 -0.049 0.000 0.782 403 K CB -1.786 30.689 32.500 -0.042 0.000 1.230 403 K HN 0.442 nan 8.250 nan 0.000 0.488 404 G N -0.559 108.198 108.800 -0.072 0.000 2.148 404 G HA2 -0.344 3.615 3.960 -0.002 0.000 0.254 404 G HA3 -0.344 3.615 3.960 -0.002 0.000 0.254 404 G C -0.052 174.803 174.900 -0.075 0.000 0.981 404 G CA 0.418 45.478 45.100 -0.067 0.000 0.670 404 G HN 0.585 nan 8.290 nan 0.000 0.528 405 S N 0.337 115.981 115.700 -0.093 0.000 2.549 405 S HA 0.770 5.239 4.470 -0.002 0.000 0.297 405 S C -2.473 172.065 174.600 -0.105 0.000 1.115 405 S CA -1.343 56.801 58.200 -0.093 0.000 1.059 405 S CB 1.773 64.914 63.200 -0.099 0.000 1.046 405 S HN 0.068 nan 8.310 nan 0.000 0.506 406 P HA 0.233 nan 4.420 nan 0.000 0.271 406 P C -1.020 176.252 177.300 -0.046 0.000 1.218 406 P CA -0.213 62.849 63.100 -0.063 0.000 0.780 406 P CB 0.324 32.012 31.700 -0.021 0.000 0.901 407 K N 2.040 122.414 120.400 -0.042 0.000 2.144 407 K HA 0.216 4.535 4.320 -0.002 0.000 0.270 407 K C 0.345 176.942 176.600 -0.005 0.000 1.005 407 K CA -0.693 55.578 56.287 -0.027 0.000 0.932 407 K CB 0.496 32.977 32.500 -0.031 0.000 1.021 407 K HN 0.399 nan 8.250 nan 0.000 0.462 408 Q N 0.967 120.769 119.800 0.003 0.000 2.311 408 Q HA 0.159 4.498 4.340 -0.002 0.000 0.272 408 Q C -0.474 175.539 176.000 0.021 0.000 1.012 408 Q CA 0.117 55.931 55.803 0.019 0.000 0.891 408 Q CB 1.192 29.942 28.738 0.020 0.000 1.201 408 Q HN 0.634 nan 8.270 nan 0.000 0.391 409 A N 3.656 126.499 122.820 0.040 0.000 2.318 409 A HA 0.646 4.965 4.320 -0.002 0.000 0.324 409 A C -0.111 177.510 177.584 0.062 0.000 1.170 409 A CA -0.582 51.482 52.037 0.045 0.000 0.810 409 A CB 0.678 19.712 19.000 0.057 0.000 1.198 409 A HN 0.876 nan 8.150 nan 0.000 0.484 410 N N 0.477 119.200 118.700 0.039 0.000 3.550 410 N HA 0.176 4.915 4.740 -0.002 0.000 0.345 410 N C 0.619 176.115 175.510 -0.023 0.000 1.647 410 N CA -0.056 53.015 53.050 0.034 0.000 0.737 410 N CB 0.080 38.570 38.487 0.005 0.000 2.178 410 N HN 0.489 nan 8.380 nan 0.000 0.638 411 E N -0.894 119.207 120.200 -0.165 0.000 2.085 411 E HA -0.185 4.164 4.350 -0.002 0.000 0.194 411 E C 0.795 177.212 176.600 -0.305 0.000 0.994 411 E CA 2.484 58.588 56.400 -0.494 0.000 0.801 411 E CB -0.148 28.993 29.700 -0.931 0.000 0.743 411 E HN 0.759 nan 8.360 nan 0.000 0.453 412 T N -2.258 112.177 114.554 -0.198 0.000 3.037 412 T HA 0.185 4.534 4.350 -0.002 0.000 0.251 412 T C 0.435 175.089 174.700 -0.078 0.000 1.079 412 T CA -0.099 61.917 62.100 -0.139 0.000 1.067 412 T CB 0.944 69.737 68.868 -0.124 0.000 0.948 412 T HN 0.016 nan 8.240 nan 0.000 0.496 413 V N 0.254 120.135 119.914 -0.054 0.000 2.709 413 V HA 0.645 4.764 4.120 -0.002 0.000 0.308 413 V C 0.852 176.942 176.094 -0.006 0.000 1.062 413 V CA 0.393 62.677 62.300 -0.028 0.000 0.901 413 V CB 1.043 32.851 31.823 -0.025 0.000 1.003 413 V HN 0.705 nan 8.190 nan 0.000 0.425 414 G N 4.416 113.217 108.800 0.001 0.000 2.155 414 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.257 414 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.257 414 G C 0.474 175.395 174.900 0.034 0.000 0.983 414 G CA 0.603 45.713 45.100 0.015 0.000 0.676 414 G HN 1.413 nan 8.290 nan 0.000 0.528 415 K N -1.420 119.001 120.400 0.036 0.000 3.096 415 K HA -0.148 4.171 4.320 -0.002 0.000 0.266 415 K C 1.237 177.897 176.600 0.099 0.000 1.043 415 K CA 0.541 56.865 56.287 0.062 0.000 0.758 415 K CB -1.702 30.831 32.500 0.054 0.000 1.260 415 K HN 1.442 nan 8.250 nan 0.000 0.481 416 G N 0.629 109.494 108.800 0.109 0.000 2.544 416 G HA2 0.240 4.199 3.960 -0.002 0.000 0.242 416 G HA3 0.240 4.199 3.960 -0.002 0.000 0.242 416 G C -0.171 174.871 174.900 0.236 0.000 1.247 416 G CA -0.575 44.620 45.100 0.158 0.000 0.840 416 G HN 0.265 nan 8.290 nan 0.000 0.578 417 F N 1.766 121.776 119.950 0.101 0.000 2.595 417 F HA 0.473 4.999 4.527 -0.002 0.000 0.359 417 F C -0.057 175.853 175.800 0.183 0.000 1.147 417 F CA -0.440 57.594 58.000 0.057 0.000 1.341 417 F CB 0.277 39.279 39.000 0.004 0.000 1.104 417 F HN 0.433 nan 8.300 nan 0.000 0.603 418 F N 1.718 120.984 119.950 -1.141 0.000 2.608 418 F HA 0.503 5.029 4.527 -0.002 0.000 0.309 418 F C -0.788 174.417 175.800 -0.992 0.000 1.103 418 F CA -1.206 56.334 58.000 -0.767 0.000 0.954 418 F CB 0.277 39.077 39.000 -0.334 0.000 1.267 418 F HN 0.308 nan 8.300 nan 0.000 0.444 419 T N 2.653 117.000 114.554 -0.346 0.000 2.916 419 T HA 0.479 4.828 4.350 -0.002 0.000 0.303 419 T C 0.472 175.130 174.700 -0.070 0.000 1.025 419 T CA 0.301 62.310 62.100 -0.151 0.000 1.142 419 T CB 0.726 69.658 68.868 0.106 0.000 0.947 419 T HN 0.961 nan 8.240 nan 0.000 0.544 420 A N 5.739 128.489 122.820 -0.116 0.000 2.561 420 A HA 0.220 4.539 4.320 -0.002 0.000 0.251 420 A C -1.035 176.586 177.584 0.061 0.000 1.062 420 A CA -0.942 51.082 52.037 -0.022 0.000 0.761 420 A CB -0.188 18.786 19.000 -0.043 0.000 0.986 420 A HN 0.558 nan 8.150 nan 0.000 0.510 421 P HA -0.059 nan 4.420 nan 0.000 0.226 421 P C 0.713 178.037 177.300 0.040 0.000 1.153 421 P CA 0.949 64.093 63.100 0.073 0.000 0.777 421 P CB 0.347 32.079 31.700 0.053 0.000 0.794 422 E N -0.846 119.374 120.200 0.033 0.000 2.474 422 E HA 0.092 4.441 4.350 -0.002 0.000 0.195 422 E C 0.459 177.070 176.600 0.019 0.000 1.039 422 E CA -0.036 56.376 56.400 0.020 0.000 0.881 422 E CB -0.031 29.677 29.700 0.013 0.000 0.970 422 E HN 0.360 nan 8.360 nan 0.000 0.486 423 R N 1.203 121.719 120.500 0.026 0.000 2.537 423 R HA 0.175 4.514 4.340 -0.002 0.000 0.280 423 R C 0.537 176.852 176.300 0.025 0.000 1.058 423 R CA 0.479 56.595 56.100 0.027 0.000 1.057 423 R CB 0.488 30.812 30.300 0.039 0.000 0.973 423 R HN 0.000 nan 8.270 nan 0.000 0.438 424 T N -1.436 113.130 114.554 0.019 0.000 2.896 424 T HA 0.735 5.084 4.350 -0.002 0.000 0.297 424 T C -0.806 173.901 174.700 0.012 0.000 1.108 424 T CA -1.049 61.060 62.100 0.015 0.000 1.004 424 T CB 2.119 70.992 68.868 0.008 0.000 1.159 424 T HN 0.578 nan 8.240 nan 0.000 0.499 425 A N 0.835 123.661 122.820 0.010 0.000 2.350 425 A HA 0.882 5.201 4.320 -0.002 0.000 0.324 425 A C -0.177 177.407 177.584 -0.000 0.000 1.118 425 A CA -0.827 51.212 52.037 0.005 0.000 0.783 425 A CB 1.547 20.551 19.000 0.007 0.000 1.236 425 A HN 1.171 nan 8.150 nan 0.000 0.457 426 S N 0.486 116.183 115.700 -0.005 0.000 2.592 426 S HA 0.734 5.203 4.470 -0.002 0.000 0.275 426 S C -0.384 174.209 174.600 -0.012 0.000 1.169 426 S CA 0.618 58.813 58.200 -0.007 0.000 0.958 426 S CB 0.858 64.053 63.200 -0.007 0.000 1.095 426 S HN 2.773 nan 8.310 nan 0.000 0.471 427 G N 3.643 112.436 108.800 -0.011 0.000 2.354 427 G HA2 0.076 4.035 3.960 -0.002 0.000 0.582 427 G HA3 0.076 4.035 3.960 -0.002 0.000 0.582 427 G C -1.756 173.135 174.900 -0.015 0.000 1.316 427 G CA -1.057 44.034 45.100 -0.015 0.000 0.995 427 G HN 0.750 nan 8.290 nan 0.000 0.573 428 K N -0.017 120.373 120.400 -0.016 0.000 2.237 428 K HA 0.419 4.738 4.320 -0.002 0.000 0.270 428 K C 0.718 177.307 176.600 -0.019 0.000 1.015 428 K CA -0.369 55.908 56.287 -0.015 0.000 0.949 428 K CB 0.826 33.318 32.500 -0.015 0.000 0.976 428 K HN 0.397 nan 8.250 nan 0.000 0.472 429 L N 3.712 124.925 121.223 -0.017 0.000 2.455 429 L HA -0.011 4.328 4.340 -0.002 0.000 0.272 429 L C 0.457 177.314 176.870 -0.022 0.000 1.174 429 L CA 0.429 55.257 54.840 -0.020 0.000 0.869 429 L CB -0.140 41.908 42.059 -0.017 0.000 1.130 429 L HN 0.722 nan 8.230 nan 0.000 0.474 430 Q N 3.004 122.788 119.800 -0.027 0.000 2.522 430 Q HA 0.487 4.826 4.340 -0.002 0.000 0.285 430 Q C -1.333 174.648 176.000 -0.032 0.000 0.982 430 Q CA -1.135 54.651 55.803 -0.028 0.000 0.805 430 Q CB 1.904 30.624 28.738 -0.031 0.000 1.457 430 Q HN 0.503 nan 8.270 nan 0.000 0.394 431 R N 1.476 121.960 120.500 -0.027 0.000 2.423 431 R HA 0.440 4.779 4.340 -0.002 0.000 0.293 431 R C -0.951 175.334 176.300 -0.026 0.000 1.196 431 R CA -0.059 56.026 56.100 -0.026 0.000 1.262 431 R CB 1.373 31.662 30.300 -0.018 0.000 1.116 431 R HN 0.832 nan 8.270 nan 0.000 0.566 432 T N -1.340 113.191 114.554 -0.039 0.000 2.883 432 T HA 0.396 4.745 4.350 -0.002 0.000 0.296 432 T C -0.853 173.808 174.700 -0.064 0.000 1.117 432 T CA -0.949 61.125 62.100 -0.043 0.000 1.006 432 T CB 1.618 70.456 68.868 -0.050 0.000 1.191 432 T HN 0.168 nan 8.240 nan 0.000 0.508 433 L N 2.222 123.413 121.223 -0.053 0.000 2.265 433 L HA 0.601 4.940 4.340 -0.002 0.000 0.288 433 L C 0.582 177.370 176.870 -0.136 0.000 1.058 433 L CA 0.020 54.815 54.840 -0.075 0.000 0.809 433 L CB 1.012 43.071 42.059 0.001 0.000 1.179 433 L HN 0.951 nan 8.230 nan 0.000 0.429 434 S N 2.258 117.761 115.700 -0.328 0.000 2.552 434 S HA -0.003 4.466 4.470 -0.002 0.000 0.289 434 S C 1.523 176.044 174.600 -0.131 0.000 1.304 434 S CA 0.296 58.289 58.200 -0.345 0.000 1.063 434 S CB 0.410 63.167 63.200 -0.739 0.000 0.848 434 S HN 0.910 nan 8.310 nan 0.000 0.499 435 T N 1.244 115.771 114.554 -0.046 0.000 2.962 435 T HA -0.120 4.229 4.350 -0.002 0.000 0.270 435 T C 1.786 176.549 174.700 0.104 0.000 1.088 435 T CA 1.448 63.571 62.100 0.038 0.000 1.127 435 T CB -1.066 67.822 68.868 0.033 0.000 0.883 435 T HN 0.808 nan 8.240 nan 0.000 0.493 436 T N -1.434 113.190 114.554 0.116 0.000 3.113 436 T HA 0.110 4.459 4.350 -0.002 0.000 0.263 436 T C 0.962 175.922 174.700 0.433 0.000 1.143 436 T CA 0.062 62.303 62.100 0.235 0.000 1.090 436 T CB -0.620 68.385 68.868 0.228 0.000 0.922 436 T HN 0.287 nan 8.240 nan 0.000 0.521 437 F N 1.553 121.534 119.950 0.051 0.000 2.660 437 F HA 0.454 4.980 4.527 -0.002 0.000 0.302 437 F C 1.790 177.594 175.800 0.007 0.000 1.103 437 F CA -1.361 56.659 58.000 0.034 0.000 1.340 437 F CB -0.176 38.836 39.000 0.020 0.000 1.048 437 F HN 0.339 nan 8.300 nan 0.000 0.551 438 E N -0.606 119.719 120.200 0.209 0.000 2.385 438 E HA -0.074 4.275 4.350 -0.002 0.000 0.194 438 E C 0.687 177.337 176.600 0.083 0.000 1.013 438 E CA 0.007 56.493 56.400 0.143 0.000 0.866 438 E CB 0.035 29.843 29.700 0.180 0.000 0.832 438 E HN 0.031 nan 8.360 nan 0.000 0.500 439 N N 1.739 120.481 118.700 0.069 0.000 2.415 439 N HA 0.009 4.748 4.740 -0.002 0.000 0.250 439 N C -0.123 175.199 175.510 -0.314 0.000 1.127 439 N CA 0.113 53.157 53.050 -0.010 0.000 0.945 439 N CB 0.285 38.858 38.487 0.143 0.000 1.196 439 N HN 0.001 nan 8.380 nan 0.000 0.499 440 N N 2.414 120.621 118.700 -0.821 0.000 2.280 440 N HA 0.079 4.818 4.740 -0.002 0.000 0.192 440 N C 0.475 175.342 175.510 -1.071 0.000 1.109 440 N CA 0.260 52.623 53.050 -1.145 0.000 0.855 440 N CB 0.435 37.882 38.487 -1.733 0.000 0.974 440 N HN 0.672 nan 8.380 nan 0.000 0.482 441 W N -0.095 120.946 121.300 -0.431 0.000 2.942 441 W HA 0.274 4.933 4.660 -0.002 0.000 0.260 441 W C 1.577 178.020 176.519 -0.127 0.000 1.101 441 W CA -0.254 56.892 57.345 -0.332 0.000 1.436 441 W CB -0.375 28.793 29.460 -0.486 0.000 0.883 441 W HN -0.080 nan 8.180 nan 0.000 0.646 442 S N 1.071 116.850 115.700 0.133 0.000 2.368 442 S HA -0.187 4.282 4.470 -0.002 0.000 0.225 442 S C 1.727 176.459 174.600 0.220 0.000 1.030 442 S CA 1.348 59.736 58.200 0.314 0.000 0.999 442 S CB -0.366 63.005 63.200 0.286 0.000 0.844 442 S HN 0.290 nan 8.310 nan 0.000 0.459 443 Q N 0.298 120.061 119.800 -0.061 0.000 2.083 443 Q HA -0.012 4.327 4.340 -0.002 0.000 0.198 443 Q C -0.638 175.126 176.000 -0.394 0.000 0.969 443 Q CA 1.074 56.716 55.803 -0.268 0.000 0.838 443 Q CB -1.304 27.133 28.738 -0.501 0.000 0.900 443 Q HN 0.412 nan 8.270 nan 0.000 0.436 444 P HA -0.203 nan 4.420 nan 0.000 0.216 444 P C 1.074 178.470 177.300 0.160 0.000 1.150 444 P CA 1.378 64.438 63.100 -0.067 0.000 0.843 444 P CB -0.027 31.665 31.700 -0.013 0.000 0.787 445 R N -0.194 120.401 120.500 0.158 0.000 2.075 445 R HA -0.096 4.243 4.340 -0.002 0.000 0.232 445 R C 2.058 178.454 176.300 0.160 0.000 1.126 445 R CA 1.204 57.392 56.100 0.147 0.000 0.963 445 R CB -1.731 28.595 30.300 0.043 0.000 0.858 445 R HN 0.072 nan 8.270 nan 0.000 0.435 446 L N -0.038 121.354 121.223 0.281 0.000 2.012 446 L HA -0.102 4.237 4.340 -0.002 0.000 0.210 446 L C 2.061 179.055 176.870 0.207 0.000 1.073 446 L CA 1.954 56.977 54.840 0.305 0.000 0.748 446 L CB -0.945 41.270 42.059 0.261 0.000 0.891 446 L HN 0.288 nan 8.230 nan 0.000 0.431 447 F N -0.677 119.325 119.950 0.087 0.000 2.069 447 F HA -0.289 4.237 4.527 -0.002 0.000 0.298 447 F C 2.357 178.180 175.800 0.037 0.000 1.113 447 F CA 2.264 60.290 58.000 0.044 0.000 1.214 447 F CB -0.801 38.247 39.000 0.081 0.000 0.978 447 F HN 0.398 nan 8.300 nan 0.000 0.474 448 W N 1.753 123.049 121.300 -0.008 0.000 2.318 448 W HA -0.314 4.345 4.660 -0.002 0.000 0.313 448 W C 1.853 178.262 176.519 -0.183 0.000 1.221 448 W CA 2.012 59.293 57.345 -0.106 0.000 1.266 448 W CB -0.828 28.628 29.460 -0.007 0.000 1.150 448 W HN 0.080 nan 8.180 nan 0.000 0.496 449 N N 0.377 119.027 118.700 -0.083 0.000 2.272 449 N HA -0.134 4.605 4.740 -0.002 0.000 0.185 449 N C 1.645 177.001 175.510 -0.258 0.000 1.014 449 N CA 1.865 54.806 53.050 -0.182 0.000 0.870 449 N CB -0.764 37.698 38.487 -0.041 0.000 0.975 449 N HN 0.018 nan 8.380 nan 0.000 0.433 450 S N -0.005 115.529 115.700 -0.276 0.000 2.593 450 S HA 0.206 4.675 4.470 -0.002 0.000 0.217 450 S C 0.738 175.127 174.600 -0.351 0.000 0.966 450 S CA -0.110 57.930 58.200 -0.266 0.000 0.914 450 S CB 0.303 63.370 63.200 -0.222 0.000 0.776 450 S HN 0.171 nan 8.310 nan 0.000 0.523 451 L N 2.122 123.060 121.223 -0.476 0.000 2.357 451 L HA 0.439 4.778 4.340 -0.002 0.000 0.273 451 L C 0.476 177.125 176.870 -0.368 0.000 1.080 451 L CA -1.011 53.553 54.840 -0.460 0.000 0.803 451 L CB 0.842 42.553 42.059 -0.581 0.000 1.174 451 L HN 0.010 nan 8.230 nan 0.000 0.443 452 V N -0.553 119.198 119.914 -0.273 0.000 3.096 452 V HA 0.067 4.186 4.120 -0.002 0.000 0.306 452 V C 1.130 177.028 176.094 -0.326 0.000 1.088 452 V CA -0.367 61.788 62.300 -0.241 0.000 1.129 452 V CB 0.329 32.056 31.823 -0.160 0.000 1.014 452 V HN 0.790 nan 8.190 nan 0.000 0.486 453 N N 2.511 121.037 118.700 -0.290 0.000 2.094 453 N HA -0.169 4.570 4.740 -0.002 0.000 0.191 453 N C 1.845 177.118 175.510 -0.396 0.000 1.023 453 N CA 2.174 55.035 53.050 -0.314 0.000 0.857 453 N CB -0.792 37.566 38.487 -0.215 0.000 1.013 453 N HN 0.969 nan 8.380 nan 0.000 0.426 454 A N 0.488 123.036 122.820 -0.454 0.000 1.933 454 A HA -0.193 4.126 4.320 -0.002 0.000 0.218 454 A C 2.169 179.021 177.584 -1.220 0.000 1.175 454 A CA 1.585 53.155 52.037 -0.779 0.000 0.628 454 A CB -0.619 17.941 19.000 -0.733 0.000 0.814 454 A HN 0.407 nan 8.150 nan 0.000 0.444 455 Q N -0.432 118.907 119.800 -0.769 0.000 2.172 455 Q HA -0.104 4.235 4.340 -0.002 0.000 0.200 455 Q C 1.902 177.715 176.000 -0.312 0.000 0.964 455 Q CA 1.275 56.796 55.803 -0.469 0.000 0.855 455 Q CB -0.062 28.621 28.738 -0.092 0.000 0.918 455 Q HN 0.668 nan 8.270 nan 0.000 0.444 456 K N 0.251 120.385 120.400 -0.443 0.000 2.032 456 K HA -0.231 4.088 4.320 -0.002 0.000 0.209 456 K C 1.987 178.510 176.600 -0.128 0.000 1.048 456 K CA 1.551 57.551 56.287 -0.478 0.000 0.927 456 K CB -0.050 31.943 32.500 -0.846 0.000 0.712 456 K HN 0.105 nan 8.250 nan 0.000 0.441 457 E N 0.467 120.525 120.200 -0.238 0.000 2.110 457 E HA -0.154 4.195 4.350 -0.002 0.000 0.193 457 E C 1.639 178.277 176.600 0.063 0.000 0.988 457 E CA 1.281 57.624 56.400 -0.095 0.000 0.804 457 E CB -0.099 29.490 29.700 -0.186 0.000 0.745 457 E HN 0.147 nan 8.360 nan 0.000 0.458 458 F N 0.316 120.245 119.950 -0.035 0.000 2.171 458 F HA -0.054 4.472 4.527 -0.002 0.000 0.300 458 F C 2.180 178.029 175.800 0.082 0.000 1.090 458 F CA 0.622 58.613 58.000 -0.014 0.000 1.293 458 F CB -0.833 38.124 39.000 -0.071 0.000 1.013 458 F HN 0.080 nan 8.300 nan 0.000 0.486 459 I N -0.748 120.010 120.570 0.314 0.000 2.142 459 I HA -0.277 3.892 4.170 -0.002 0.000 0.240 459 I C 2.378 178.659 176.117 0.273 0.000 1.078 459 I CA 0.978 62.469 61.300 0.318 0.000 1.343 459 I CB -0.645 37.609 38.000 0.425 0.000 1.046 459 I HN -0.105 nan 8.210 nan 0.000 0.405 460 V N 0.983 121.065 119.914 0.279 0.000 2.287 460 V HA -0.335 3.784 4.120 -0.002 0.000 0.248 460 V C 2.081 178.273 176.094 0.164 0.000 1.053 460 V CA 2.211 64.634 62.300 0.205 0.000 1.027 460 V CB -0.689 31.258 31.823 0.207 0.000 0.646 460 V HN 0.421 nan 8.190 nan 0.000 0.447 461 D N 0.140 120.653 120.400 0.188 0.000 2.144 461 D HA -0.107 4.532 4.640 -0.002 0.000 0.199 461 D C 2.195 178.586 176.300 0.152 0.000 0.984 461 D CA 1.573 55.683 54.000 0.182 0.000 0.834 461 D CB -0.392 40.542 40.800 0.223 0.000 0.955 461 D HN 0.455 nan 8.370 nan 0.000 0.465 462 A N 0.704 123.597 122.820 0.121 0.000 1.877 462 A HA -0.157 4.162 4.320 -0.002 0.000 0.216 462 A C 2.265 179.909 177.584 0.100 0.000 1.186 462 A CA 1.370 53.423 52.037 0.028 0.000 0.620 462 A CB -0.539 18.480 19.000 0.031 0.000 0.822 462 A HN 0.143 nan 8.150 nan 0.000 0.443 463 M N -1.266 118.405 119.600 0.118 0.000 2.175 463 M HA -0.135 4.344 4.480 -0.002 0.000 0.264 463 M C 2.383 178.626 176.300 -0.095 0.000 1.063 463 M CA 1.410 56.723 55.300 0.021 0.000 1.119 463 M CB -0.365 32.275 32.600 0.067 0.000 1.377 463 M HN 0.355 nan 8.290 nan 0.000 0.415 464 R N -0.247 120.256 120.500 0.005 0.000 2.073 464 R HA -0.163 4.176 4.340 -0.002 0.000 0.234 464 R C 2.118 178.422 176.300 0.006 0.000 1.134 464 R CA 1.788 57.886 56.100 -0.002 0.000 0.952 464 R CB -0.592 29.747 30.300 0.065 0.000 0.850 464 R HN 0.294 nan 8.270 nan 0.000 0.433 465 F N 2.149 122.066 119.950 -0.055 0.000 2.075 465 F HA -0.201 4.325 4.527 -0.002 0.000 0.297 465 F C 2.158 177.909 175.800 -0.082 0.000 1.113 465 F CA 1.597 59.578 58.000 -0.031 0.000 1.218 465 F CB -0.027 38.954 39.000 -0.031 0.000 0.984 465 F HN -0.047 nan 8.300 nan 0.000 0.472 466 E N -0.295 119.883 120.200 -0.037 0.000 2.047 466 E HA -0.193 4.156 4.350 -0.002 0.000 0.191 466 E C 2.230 178.551 176.600 -0.465 0.000 0.987 466 E CA 2.078 58.385 56.400 -0.154 0.000 0.799 466 E CB -0.736 29.027 29.700 0.105 0.000 0.752 466 E HN 0.561 nan 8.360 nan 0.000 0.449 467 T N -0.662 113.517 114.554 -0.625 0.000 3.055 467 T HA -0.057 4.292 4.350 -0.002 0.000 0.265 467 T C 2.040 176.532 174.700 -0.347 0.000 1.111 467 T CA 1.105 62.820 62.100 -0.643 0.000 1.118 467 T CB -0.164 68.303 68.868 -0.668 0.000 0.909 467 T HN 0.096 nan 8.240 nan 0.000 0.501 468 S N 1.897 117.428 115.700 -0.282 0.000 2.474 468 S HA -0.038 4.431 4.470 -0.002 0.000 0.235 468 S C 1.728 176.207 174.600 -0.203 0.000 0.997 468 S CA 0.453 58.532 58.200 -0.202 0.000 0.949 468 S CB -0.626 62.476 63.200 -0.163 0.000 0.766 468 S HN 0.518 nan 8.310 nan 0.000 0.517 469 N N 1.006 119.552 118.700 -0.257 0.000 2.336 469 N HA 0.171 4.910 4.740 -0.002 0.000 0.189 469 N C -0.625 174.823 175.510 -0.104 0.000 1.113 469 N CA 0.143 53.083 53.050 -0.182 0.000 0.858 469 N CB 0.732 39.092 38.487 -0.213 0.000 0.970 469 N HN 0.273 nan 8.380 nan 0.000 0.471 470 V N 1.270 121.102 119.914 -0.137 0.000 2.385 470 V HA 0.094 4.213 4.120 -0.002 0.000 0.269 470 V C 1.190 177.250 176.094 -0.056 0.000 1.043 470 V CA -0.009 62.243 62.300 -0.081 0.000 0.906 470 V CB 1.542 33.288 31.823 -0.127 0.000 0.995 470 V HN 0.118 nan 8.190 nan 0.000 0.467 471 S N 2.727 118.414 115.700 -0.021 0.000 2.395 471 S HA -0.073 4.396 4.470 -0.002 0.000 0.225 471 S C 1.253 175.846 174.600 -0.012 0.000 1.027 471 S CA 0.799 58.989 58.200 -0.016 0.000 0.965 471 S CB 0.048 63.247 63.200 -0.003 0.000 0.812 471 S HN 0.750 nan 8.310 nan 0.000 0.482 472 S N 2.052 117.751 115.700 -0.003 0.000 2.488 472 S HA 0.123 4.592 4.470 -0.002 0.000 0.278 472 S C 1.368 175.966 174.600 -0.003 0.000 1.259 472 S CA -0.059 58.143 58.200 0.002 0.000 1.061 472 S CB 0.700 63.908 63.200 0.014 0.000 0.910 472 S HN 0.434 nan 8.310 nan 0.000 0.491 473 S N 4.768 120.466 115.700 -0.004 0.000 2.402 473 S HA -0.091 4.378 4.470 -0.002 0.000 0.229 473 S C 1.759 176.360 174.600 0.003 0.000 1.021 473 S CA 1.116 59.313 58.200 -0.005 0.000 0.974 473 S CB -0.683 62.515 63.200 -0.005 0.000 0.800 473 S HN 0.584 nan 8.310 nan 0.000 0.484 474 V N 1.874 121.793 119.914 0.009 0.000 2.287 474 V HA -0.166 3.953 4.120 -0.002 0.000 0.248 474 V C 2.683 178.793 176.094 0.026 0.000 1.053 474 V CA 1.859 64.169 62.300 0.016 0.000 1.027 474 V CB -0.812 31.021 31.823 0.016 0.000 0.646 474 V HN 0.474 nan 8.190 nan 0.000 0.447 475 V N -0.327 119.605 119.914 0.030 0.000 2.295 475 V HA -0.256 3.863 4.120 -0.002 0.000 0.246 475 V C 2.564 178.689 176.094 0.051 0.000 1.049 475 V CA 2.100 64.432 62.300 0.053 0.000 1.024 475 V CB -0.806 31.055 31.823 0.063 0.000 0.648 475 V HN 0.455 nan 8.190 nan 0.000 0.447 476 R N -0.046 120.461 120.500 0.011 0.000 2.096 476 R HA -0.200 4.139 4.340 -0.002 0.000 0.240 476 R C 2.161 178.464 176.300 0.005 0.000 1.139 476 R CA 2.004 58.093 56.100 -0.019 0.000 0.952 476 R CB -0.566 29.706 30.300 -0.047 0.000 0.854 476 R HN 0.596 nan 8.270 nan 0.000 0.436 477 D N 0.366 120.773 120.400 0.012 0.000 2.117 477 D HA -0.140 4.499 4.640 -0.002 0.000 0.197 477 D C 1.366 177.688 176.300 0.036 0.000 0.987 477 D CA 1.232 55.242 54.000 0.018 0.000 0.829 477 D CB -0.131 40.677 40.800 0.013 0.000 0.961 477 D HN 0.188 nan 8.370 nan 0.000 0.460 478 D N 0.352 120.782 120.400 0.050 0.000 2.144 478 D HA -0.101 4.538 4.640 -0.002 0.000 0.199 478 D C 2.333 178.694 176.300 0.102 0.000 0.984 478 D CA 0.303 54.344 54.000 0.069 0.000 0.834 478 D CB -0.233 40.608 40.800 0.069 0.000 0.955 478 D HN 0.059 nan 8.370 nan 0.000 0.465 479 V N 1.502 121.491 119.914 0.125 0.000 2.287 479 V HA -0.226 3.893 4.120 -0.002 0.000 0.248 479 V C 2.432 178.602 176.094 0.126 0.000 1.053 479 V CA 1.036 63.445 62.300 0.182 0.000 1.027 479 V CB -0.251 31.696 31.823 0.206 0.000 0.646 479 V HN 0.191 nan 8.190 nan 0.000 0.447 480 I N -0.360 120.251 120.570 0.068 0.000 2.286 480 I HA -0.202 3.967 4.170 -0.002 0.000 0.248 480 I C 2.356 178.501 176.117 0.047 0.000 1.115 480 I CA 1.719 63.044 61.300 0.041 0.000 1.392 480 I CB -0.968 37.040 38.000 0.013 0.000 1.065 480 I HN 0.276 nan 8.210 nan 0.000 0.418 481 I N 0.373 120.974 120.570 0.052 0.000 2.163 481 I HA -0.325 3.844 4.170 -0.002 0.000 0.243 481 I C 2.700 178.856 176.117 0.065 0.000 1.085 481 I CA 1.318 62.645 61.300 0.044 0.000 1.347 481 I CB -0.380 37.644 38.000 0.039 0.000 1.044 481 I HN 0.292 nan 8.210 nan 0.000 0.408 482 Q N 0.386 120.260 119.800 0.122 0.000 2.079 482 Q HA -0.100 4.239 4.340 -0.002 0.000 0.200 482 Q C 2.430 178.552 176.000 0.203 0.000 0.974 482 Q CA 1.380 57.311 55.803 0.212 0.000 0.840 482 Q CB -0.354 28.535 28.738 0.252 0.000 0.898 482 Q HN 0.552 nan 8.270 nan 0.000 0.430 483 L N 0.932 122.237 121.223 0.137 0.000 2.083 483 L HA -0.205 4.134 4.340 -0.002 0.000 0.209 483 L C 2.161 179.055 176.870 0.040 0.000 1.083 483 L CA 1.154 56.040 54.840 0.077 0.000 0.752 483 L CB -0.539 41.536 42.059 0.027 0.000 0.899 483 L HN 0.253 nan 8.230 nan 0.000 0.433 484 N N 0.605 119.334 118.700 0.047 0.000 2.289 484 N HA -0.175 4.564 4.740 -0.002 0.000 0.184 484 N C 1.862 177.460 175.510 0.146 0.000 1.016 484 N CA 1.164 54.252 53.050 0.064 0.000 0.872 484 N CB 0.042 38.557 38.487 0.047 0.000 0.973 484 N HN 0.159 nan 8.380 nan 0.000 0.433 485 R N -0.580 119.956 120.500 0.062 0.000 2.235 485 R HA 0.128 4.467 4.340 -0.002 0.000 0.213 485 R C 1.737 178.176 176.300 0.231 0.000 1.059 485 R CA 0.649 56.731 56.100 -0.031 0.000 0.997 485 R CB 0.011 29.958 30.300 -0.588 0.000 0.884 485 R HN 0.361 nan 8.270 nan 0.000 0.462 486 I N -1.098 119.624 120.570 0.253 0.000 2.270 486 I HA -0.068 4.101 4.170 -0.002 0.000 0.239 486 I C 0.820 176.982 176.117 0.075 0.000 1.080 486 I CA 0.606 62.030 61.300 0.208 0.000 1.383 486 I CB 0.169 38.208 38.000 0.065 0.000 1.097 486 I HN -0.047 nan 8.210 nan 0.000 0.420 487 S N -0.488 115.134 115.700 -0.130 0.000 2.592 487 S HA 0.136 4.605 4.470 -0.002 0.000 0.275 487 S C -0.159 174.246 174.600 -0.326 0.000 1.169 487 S CA -0.758 57.172 58.200 -0.452 0.000 0.958 487 S CB 1.454 64.255 63.200 -0.666 0.000 1.095 487 S HN 0.288 nan 8.310 nan 0.000 0.471 488 D N 3.476 123.660 120.400 -0.359 0.000 2.219 488 D HA -0.107 4.532 4.640 -0.002 0.000 0.205 488 D C 1.634 177.856 176.300 -0.130 0.000 0.970 488 D CA 1.654 55.578 54.000 -0.127 0.000 0.851 488 D CB 0.031 40.808 40.800 -0.039 0.000 0.943 488 D HN 0.629 nan 8.370 nan 0.000 0.488 489 N N -0.360 118.240 118.700 -0.166 0.000 2.080 489 N HA -0.169 4.570 4.740 -0.002 0.000 0.189 489 N C 2.004 177.454 175.510 -0.100 0.000 1.036 489 N CA 0.908 53.919 53.050 -0.065 0.000 0.846 489 N CB -0.153 38.364 38.487 0.051 0.000 1.015 489 N HN 0.188 nan 8.380 nan 0.000 0.423 490 L N 1.706 122.728 121.223 -0.336 0.000 1.990 490 L HA -0.148 4.191 4.340 -0.002 0.000 0.213 490 L C 2.393 179.130 176.870 -0.222 0.000 1.072 490 L CA 2.230 56.775 54.840 -0.492 0.000 0.755 490 L CB -1.113 40.315 42.059 -1.052 0.000 0.889 490 L HN 0.229 nan 8.230 nan 0.000 0.432 491 A N -1.727 120.986 122.820 -0.178 0.000 1.908 491 A HA -0.213 4.106 4.320 -0.002 0.000 0.218 491 A C 2.273 179.830 177.584 -0.046 0.000 1.181 491 A CA 2.422 54.410 52.037 -0.081 0.000 0.627 491 A CB -1.282 17.691 19.000 -0.045 0.000 0.818 491 A HN 0.559 nan 8.150 nan 0.000 0.445 492 T N -0.464 114.066 114.554 -0.040 0.000 2.777 492 T HA -0.115 4.234 4.350 -0.002 0.000 0.266 492 T C 2.067 176.765 174.700 -0.004 0.000 1.040 492 T CA 1.566 63.657 62.100 -0.015 0.000 1.141 492 T CB -0.217 68.646 68.868 -0.008 0.000 0.868 492 T HN 0.520 nan 8.240 nan 0.000 0.444 493 R N 0.329 120.830 120.500 0.002 0.000 2.096 493 R HA -0.021 4.318 4.340 -0.002 0.000 0.235 493 R C 2.468 178.782 176.300 0.023 0.000 1.127 493 R CA 0.908 57.026 56.100 0.029 0.000 0.968 493 R CB -0.548 29.792 30.300 0.065 0.000 0.861 493 R HN 0.237 nan 8.270 nan 0.000 0.440 494 V N 0.725 120.640 119.914 0.003 0.000 2.323 494 V HA -0.167 3.952 4.120 -0.002 0.000 0.244 494 V C 2.401 178.484 176.094 -0.019 0.000 1.041 494 V CA 1.797 64.093 62.300 -0.007 0.000 1.025 494 V CB -0.697 31.111 31.823 -0.025 0.000 0.656 494 V HN 0.387 nan 8.190 nan 0.000 0.451 495 A N 1.082 123.891 122.820 -0.019 0.000 1.948 495 A HA -0.275 4.044 4.320 -0.002 0.000 0.220 495 A C 2.552 180.128 177.584 -0.012 0.000 1.177 495 A CA 2.580 54.605 52.037 -0.019 0.000 0.636 495 A CB -0.879 18.114 19.000 -0.012 0.000 0.815 495 A HN 0.716 nan 8.150 nan 0.000 0.449 496 S N -0.163 115.536 115.700 -0.002 0.000 2.419 496 S HA 0.080 4.549 4.470 -0.002 0.000 0.233 496 S C 1.922 176.525 174.600 0.005 0.000 1.016 496 S CA 1.294 59.497 58.200 0.005 0.000 0.974 496 S CB -0.514 62.694 63.200 0.014 0.000 0.786 496 S HN 0.949 nan 8.310 nan 0.000 0.492 497 A N 1.777 124.599 122.820 0.003 0.000 2.067 497 A HA 0.367 4.686 4.320 -0.002 0.000 0.217 497 A C 2.010 179.585 177.584 -0.016 0.000 1.156 497 A CA 0.872 52.911 52.037 0.003 0.000 0.683 497 A CB -0.609 18.399 19.000 0.014 0.000 0.808 497 A HN 0.932 nan 8.150 nan 0.000 0.455 498 I N -5.607 114.945 120.570 -0.030 0.000 3.936 498 I HA 0.548 4.717 4.170 -0.002 0.000 0.330 498 I C 0.933 177.028 176.117 -0.037 0.000 1.509 498 I CA 0.279 61.549 61.300 -0.049 0.000 1.126 498 I CB 0.153 38.102 38.000 -0.085 0.000 1.115 498 I HN 0.230 nan 8.210 nan 0.000 0.424 499 G N 1.685 110.472 108.800 -0.023 0.000 2.176 499 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.252 499 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.252 499 G C -0.050 174.840 174.900 -0.015 0.000 1.024 499 G CA 0.271 45.361 45.100 -0.016 0.000 0.755 499 G HN 0.353 nan 8.290 nan 0.000 0.507 500 V N 0.092 119.997 119.914 -0.016 0.000 2.483 500 V HA 0.445 4.564 4.120 -0.002 0.000 0.295 500 V C 0.779 176.869 176.094 -0.007 0.000 1.035 500 V CA -0.865 61.428 62.300 -0.012 0.000 0.896 500 V CB 1.896 33.710 31.823 -0.016 0.000 0.986 500 V HN 0.459 nan 8.190 nan 0.000 0.447 501 E N 2.815 123.013 120.200 -0.004 0.000 2.414 501 E HA 0.336 4.685 4.350 -0.002 0.000 0.263 501 E C 0.302 176.902 176.600 -0.000 0.000 1.000 501 E CA -0.299 56.101 56.400 -0.001 0.000 0.914 501 E CB 0.861 30.561 29.700 0.000 0.000 0.948 501 E HN 0.893 nan 8.360 nan 0.000 0.444 502 A N 6.271 129.091 122.820 0.001 0.000 2.548 502 A HA 0.170 4.489 4.320 -0.002 0.000 0.247 502 A C -2.005 175.581 177.584 0.005 0.000 1.067 502 A CA -1.014 51.025 52.037 0.002 0.000 0.757 502 A CB -0.206 18.796 19.000 0.004 0.000 0.996 502 A HN 0.489 nan 8.150 nan 0.000 0.504 503 P HA 0.287 nan 4.420 nan 0.000 0.276 503 P C -0.673 176.637 177.300 0.016 0.000 1.244 503 P CA -0.468 62.638 63.100 0.010 0.000 0.801 503 P CB 0.786 32.494 31.700 0.013 0.000 1.006 504 K N 1.924 122.333 120.400 0.015 0.000 2.237 504 K HA 0.315 4.634 4.320 -0.002 0.000 0.270 504 K C -2.121 174.503 176.600 0.040 0.000 1.015 504 K CA -1.570 54.729 56.287 0.021 0.000 0.949 504 K CB -0.387 32.118 32.500 0.008 0.000 0.976 504 K HN 0.360 nan 8.250 nan 0.000 0.472 505 P HA -0.060 nan 4.420 nan 0.000 0.266 505 P C -0.902 176.421 177.300 0.039 0.000 1.195 505 P CA 0.099 63.291 63.100 0.153 0.000 0.768 505 P CB 0.378 32.199 31.700 0.201 0.000 0.838 506 N N 1.488 120.163 118.700 -0.043 0.000 2.569 506 N HA 0.109 4.848 4.740 -0.002 0.000 0.254 506 N C 0.265 175.327 175.510 -0.746 0.000 1.004 506 N CA -0.414 52.476 53.050 -0.267 0.000 0.904 506 N CB 0.553 38.915 38.487 -0.209 0.000 1.165 506 N HN 0.173 nan 8.380 nan 0.000 0.513 507 S N 1.266 116.573 115.700 -0.655 0.000 2.631 507 S HA 0.024 4.493 4.470 -0.002 0.000 0.217 507 S C 1.267 175.478 174.600 -0.649 0.000 0.958 507 S CA -0.030 57.639 58.200 -0.885 0.000 0.920 507 S CB -0.149 62.885 63.200 -0.276 0.000 0.776 507 S HN 0.364 nan 8.310 nan 0.000 0.517 508 S N 1.528 116.868 115.700 -0.600 0.000 2.380 508 S HA -0.055 4.414 4.470 -0.002 0.000 0.229 508 S C 0.668 174.813 174.600 -0.759 0.000 1.043 508 S CA 1.564 59.357 58.200 -0.679 0.000 1.038 508 S CB -0.434 62.251 63.200 -0.859 0.000 0.872 508 S HN 0.737 nan 8.310 nan 0.000 0.456 509 F N -0.931 118.911 119.950 -0.180 0.000 2.661 509 F HA 0.364 4.890 4.527 -0.002 0.000 0.306 509 F C -0.222 175.738 175.800 0.267 0.000 1.094 509 F CA -1.008 57.043 58.000 0.085 0.000 1.254 509 F CB 0.076 39.175 39.000 0.166 0.000 1.040 509 F HN 0.024 nan 8.300 nan 0.000 0.562 510 Y N 1.614 122.014 120.300 0.167 0.000 2.425 510 Y HA 0.380 4.929 4.550 -0.002 0.000 0.331 510 Y C 0.639 176.632 175.900 0.155 0.000 1.157 510 Y CA -0.960 57.198 58.100 0.097 0.000 1.372 510 Y CB -0.667 37.815 38.460 0.037 0.000 1.253 510 Y HN 0.312 nan 8.280 nan 0.000 0.536 511 H N -1.692 117.534 119.070 0.259 0.000 2.948 511 H HA 0.489 5.044 4.556 -0.002 0.000 0.315 511 H C -1.333 174.073 175.328 0.130 0.000 1.360 511 H CA -0.964 55.185 56.048 0.167 0.000 1.125 511 H CB 1.088 30.943 29.762 0.155 0.000 1.844 511 H HN 0.283 nan 8.280 nan 0.000 0.529 512 D N -0.219 120.324 120.400 0.238 0.000 2.535 512 D HA 0.123 4.762 4.640 -0.002 0.000 0.229 512 D C -0.337 176.077 176.300 0.190 0.000 1.238 512 D CA -0.242 53.834 54.000 0.128 0.000 0.824 512 D CB 0.163 41.016 40.800 0.087 0.000 1.045 512 D HN 0.340 nan 8.370 nan 0.000 0.500 513 N N 1.271 120.221 118.700 0.417 0.000 2.503 513 N HA 0.209 4.948 4.740 -0.002 0.000 0.267 513 N C 0.490 176.115 175.510 0.192 0.000 1.214 513 N CA 0.532 53.737 53.050 0.259 0.000 0.959 513 N CB 1.275 39.877 38.487 0.191 0.000 1.142 513 N HN 0.085 nan 8.380 nan 0.000 0.455 514 T N -3.037 111.574 114.554 0.096 0.000 2.901 514 T HA 0.573 4.922 4.350 -0.002 0.000 0.293 514 T C -0.253 174.461 174.700 0.023 0.000 1.084 514 T CA -0.825 61.300 62.100 0.041 0.000 1.008 514 T CB 2.021 70.883 68.868 -0.010 0.000 1.170 514 T HN 0.299 nan 8.240 nan 0.000 0.509 515 T N -0.057 114.493 114.554 -0.007 0.000 2.900 515 T HA 0.695 5.044 4.350 -0.002 0.000 0.295 515 T C -0.433 174.205 174.700 -0.103 0.000 1.044 515 T CA -0.384 61.696 62.100 -0.033 0.000 0.995 515 T CB 1.064 69.938 68.868 0.010 0.000 1.072 515 T HN 1.151 nan 8.240 nan 0.000 0.473 516 A N 3.313 126.024 122.820 -0.181 0.000 2.388 516 A HA 0.550 4.869 4.320 -0.002 0.000 0.257 516 A C 0.449 177.707 177.584 -0.543 0.000 1.095 516 A CA 0.546 52.422 52.037 -0.268 0.000 0.791 516 A CB -0.723 18.154 19.000 -0.206 0.000 1.029 516 A HN 1.889 nan 8.150 nan 0.000 0.489 517 H N -0.641 118.440 119.070 0.018 0.000 2.557 517 H HA -0.195 4.360 4.556 -0.002 0.000 0.319 517 H C -0.130 175.245 175.328 0.078 0.000 1.102 517 H CA 0.905 56.973 56.048 0.033 0.000 1.126 517 H CB -2.205 27.588 29.762 0.051 0.000 1.498 517 H HN 0.483 nan 8.280 nan 0.000 0.411 518 I N -0.355 120.235 120.570 0.034 0.000 3.030 518 I HA 0.266 4.435 4.170 -0.002 0.000 0.270 518 I C 1.913 178.094 176.117 0.106 0.000 1.211 518 I CA 0.944 62.296 61.300 0.087 0.000 1.479 518 I CB -0.141 37.849 38.000 -0.016 0.000 1.105 518 I HN 0.732 nan 8.210 nan 0.000 0.447 519 G N -0.868 107.914 108.800 -0.029 0.000 2.616 519 G HA2 0.376 4.335 3.960 -0.002 0.000 0.268 519 G HA3 0.376 4.335 3.960 -0.002 0.000 0.268 519 G C 0.802 175.667 174.900 -0.057 0.000 1.213 519 G CA 0.137 45.199 45.100 -0.063 0.000 0.926 519 G HN 0.330 nan 8.290 nan 0.000 0.523 520 A N -0.566 122.006 122.820 -0.414 0.000 2.123 520 A HA 0.438 4.757 4.320 -0.002 0.000 0.214 520 A C 0.344 177.608 177.584 -0.532 0.000 1.152 520 A CA 0.392 52.075 52.037 -0.590 0.000 0.728 520 A CB -0.090 18.360 19.000 -0.916 0.000 0.814 520 A HN 0.364 nan 8.150 nan 0.000 0.464 521 F N -1.995 117.906 119.950 -0.082 0.000 2.492 521 F HA 0.575 5.101 4.527 -0.002 0.000 0.327 521 F C 1.294 177.066 175.800 -0.047 0.000 1.079 521 F CA 0.298 58.278 58.000 -0.033 0.000 0.967 521 F CB 2.089 41.092 39.000 0.006 0.000 1.169 521 F HN 0.133 nan 8.300 nan 0.000 0.472 522 G N 1.019 109.920 108.800 0.168 0.000 2.336 522 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.194 522 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.194 522 G C -0.237 174.689 174.900 0.042 0.000 0.999 522 G CA -0.604 44.540 45.100 0.074 0.000 0.669 522 G HN 0.538 nan 8.290 nan 0.000 0.482 523 E N 0.705 120.925 120.200 0.033 0.000 2.244 523 E HA 0.519 4.868 4.350 -0.002 0.000 0.266 523 E C -0.292 176.307 176.600 -0.001 0.000 0.914 523 E CA -0.859 55.546 56.400 0.008 0.000 0.794 523 E CB 1.582 31.276 29.700 -0.010 0.000 1.210 523 E HN 0.154 nan 8.360 nan 0.000 0.414 524 K N 1.525 121.922 120.400 -0.006 0.000 2.202 524 K HA 0.281 4.600 4.320 -0.002 0.000 0.264 524 K C 0.078 176.665 176.600 -0.022 0.000 1.010 524 K CA -0.394 55.890 56.287 -0.005 0.000 0.940 524 K CB 0.704 33.205 32.500 0.001 0.000 0.983 524 K HN 0.323 nan 8.250 nan 0.000 0.475 525 L N 1.518 122.727 121.223 -0.023 0.000 2.461 525 L HA -0.040 4.299 4.340 -0.002 0.000 0.272 525 L C 1.399 178.256 176.870 -0.023 0.000 1.197 525 L CA 0.041 54.858 54.840 -0.039 0.000 0.836 525 L CB 0.757 42.789 42.059 -0.045 0.000 1.105 525 L HN 0.854 nan 8.230 nan 0.000 0.477 526 A N 3.326 126.128 122.820 -0.031 0.000 1.984 526 A HA 0.096 4.415 4.320 -0.002 0.000 0.214 526 A C 0.697 178.266 177.584 -0.026 0.000 1.173 526 A CA 0.841 52.860 52.037 -0.031 0.000 0.673 526 A CB 0.149 19.123 19.000 -0.044 0.000 0.830 526 A HN 0.708 nan 8.150 nan 0.000 0.453 527 K N -0.702 119.683 120.400 -0.025 0.000 2.464 527 K HA 0.580 4.899 4.320 -0.002 0.000 0.253 527 K C -0.614 175.992 176.600 0.010 0.000 0.933 527 K CA -0.487 55.788 56.287 -0.020 0.000 0.801 527 K CB 1.931 34.401 32.500 -0.050 0.000 1.271 527 K HN 0.077 nan 8.250 nan 0.000 0.430 528 L N 1.051 122.283 121.223 0.015 0.000 2.628 528 L HA 0.117 4.456 4.340 -0.002 0.000 0.229 528 L C -0.415 176.482 176.870 0.045 0.000 1.137 528 L CA -0.124 54.740 54.840 0.041 0.000 0.909 528 L CB -0.122 41.959 42.059 0.037 0.000 1.137 528 L HN 0.568 nan 8.230 nan 0.000 0.470 529 D N 1.649 122.058 120.400 0.015 0.000 2.586 529 D HA 0.193 4.832 4.640 -0.002 0.000 0.234 529 D C 1.374 177.690 176.300 0.027 0.000 1.132 529 D CA 1.459 55.456 54.000 -0.004 0.000 0.860 529 D CB 0.602 41.372 40.800 -0.051 0.000 1.159 529 D HN 0.316 nan 8.370 nan 0.000 0.490 530 G N 1.610 110.426 108.800 0.026 0.000 2.184 530 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.264 530 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.264 530 G C 0.368 175.324 174.900 0.092 0.000 0.975 530 G CA -0.054 45.072 45.100 0.044 0.000 0.642 530 G HN 0.479 nan 8.290 nan 0.000 0.536 531 L N -0.335 120.955 121.223 0.113 0.000 2.464 531 L HA 0.498 4.837 4.340 -0.002 0.000 0.264 531 L C 0.803 177.769 176.870 0.159 0.000 1.199 531 L CA 0.046 54.981 54.840 0.158 0.000 0.818 531 L CB 0.726 42.885 42.059 0.167 0.000 1.102 531 L HN 0.056 nan 8.230 nan 0.000 0.473 532 K N 0.968 121.499 120.400 0.217 0.000 2.324 532 K HA 0.571 4.890 4.320 -0.002 0.000 0.253 532 K C -1.404 175.351 176.600 0.258 0.000 0.932 532 K CA -0.666 55.767 56.287 0.245 0.000 0.799 532 K CB 2.563 35.260 32.500 0.329 0.000 1.154 532 K HN 0.205 nan 8.250 nan 0.000 0.425 533 V N 1.916 121.929 119.914 0.165 0.000 2.384 533 V HA 0.374 4.493 4.120 -0.002 0.000 0.287 533 V C 0.268 176.298 176.094 -0.107 0.000 1.020 533 V CA -0.883 61.460 62.300 0.073 0.000 0.850 533 V CB 1.533 33.387 31.823 0.051 0.000 0.987 533 V HN 0.919 nan 8.190 nan 0.000 0.436 534 G N 4.407 112.937 108.800 -0.450 0.000 2.338 534 G HA2 0.494 4.453 3.960 -0.002 0.000 0.295 534 G HA3 0.494 4.453 3.960 -0.002 0.000 0.295 534 G C -0.817 173.786 174.900 -0.495 0.000 1.132 534 G CA -0.307 44.110 45.100 -1.138 0.000 0.922 534 G HN 0.614 nan 8.290 nan 0.000 0.427 535 L N 4.211 125.244 121.223 -0.316 0.000 2.255 535 L HA 0.451 4.790 4.340 -0.002 0.000 0.289 535 L C -0.068 176.728 176.870 -0.125 0.000 1.046 535 L CA -0.547 54.206 54.840 -0.144 0.000 0.816 535 L CB 0.775 42.789 42.059 -0.074 0.000 1.197 535 L HN 0.373 nan 8.230 nan 0.000 0.427 536 L N 6.367 127.574 121.223 -0.027 0.000 2.295 536 L HA 0.616 4.955 4.340 -0.002 0.000 0.288 536 L C 0.425 177.402 176.870 0.178 0.000 1.079 536 L CA -0.125 54.787 54.840 0.121 0.000 0.830 536 L CB 0.338 42.633 42.059 0.393 0.000 1.200 536 L HN 0.797 nan 8.230 nan 0.000 0.438 537 A N 2.983 125.875 122.820 0.121 0.000 2.414 537 A HA 0.851 5.170 4.320 -0.002 0.000 0.278 537 A C -0.559 177.140 177.584 0.193 0.000 1.228 537 A CA -0.547 51.562 52.037 0.120 0.000 0.857 537 A CB 2.043 21.063 19.000 0.034 0.000 1.389 537 A HN 0.466 nan 8.150 nan 0.000 0.452 538 S N -1.244 114.539 115.700 0.138 0.000 2.575 538 S HA 0.406 4.875 4.470 -0.002 0.000 0.278 538 S C 0.605 175.262 174.600 0.096 0.000 1.139 538 S CA -0.025 58.263 58.200 0.148 0.000 0.954 538 S CB 1.318 64.599 63.200 0.136 0.000 1.054 538 S HN 1.827 nan 8.310 nan 0.000 0.483 539 V N 2.792 122.765 119.914 0.097 0.000 2.720 539 V HA 0.002 4.121 4.120 -0.002 0.000 0.256 539 V C 1.548 177.675 176.094 0.055 0.000 1.082 539 V CA 1.620 63.960 62.300 0.067 0.000 1.101 539 V CB -0.794 31.069 31.823 0.068 0.000 0.693 539 V HN 0.760 nan 8.190 nan 0.000 0.479 540 N N 0.780 119.518 118.700 0.062 0.000 2.494 540 N HA 0.033 4.772 4.740 -0.002 0.000 0.182 540 N C 0.441 175.975 175.510 0.039 0.000 1.076 540 N CA 0.753 53.832 53.050 0.047 0.000 0.908 540 N CB -0.047 38.470 38.487 0.049 0.000 0.967 540 N HN 0.551 nan 8.380 nan 0.000 0.449 541 K N 0.661 121.086 120.400 0.043 0.000 2.753 541 K HA 0.246 4.565 4.320 -0.002 0.000 0.185 541 K C -1.994 174.623 176.600 0.028 0.000 1.071 541 K CA -1.493 54.814 56.287 0.033 0.000 0.999 541 K CB 2.154 34.675 32.500 0.036 0.000 1.244 541 K HN -0.089 nan 8.250 nan 0.000 0.594 542 P HA -0.249 nan 4.420 nan 0.000 0.217 542 P C 1.177 178.484 177.300 0.011 0.000 1.148 542 P CA 1.261 64.371 63.100 0.017 0.000 0.834 542 P CB 0.310 32.019 31.700 0.014 0.000 0.783 543 A N 0.609 123.433 122.820 0.007 0.000 1.972 543 A HA -0.171 4.148 4.320 -0.002 0.000 0.219 543 A C 2.494 180.075 177.584 -0.005 0.000 1.169 543 A CA 2.187 54.223 52.037 -0.001 0.000 0.635 543 A CB -1.447 17.549 19.000 -0.005 0.000 0.810 543 A HN 0.406 nan 8.150 nan 0.000 0.446 544 S N 0.140 115.842 115.700 0.004 0.000 2.382 544 S HA -0.123 4.346 4.470 -0.002 0.000 0.228 544 S C 1.837 176.438 174.600 0.003 0.000 1.027 544 S CA 1.427 59.629 58.200 0.004 0.000 0.991 544 S CB -0.719 62.498 63.200 0.029 0.000 0.823 544 S HN 0.478 nan 8.310 nan 0.000 0.469 545 I N 2.268 122.843 120.570 0.008 0.000 2.315 545 I HA -0.073 4.096 4.170 -0.002 0.000 0.248 545 I C 3.010 179.126 176.117 -0.002 0.000 1.117 545 I CA 1.015 62.317 61.300 0.003 0.000 1.404 545 I CB -0.561 37.444 38.000 0.009 0.000 1.071 545 I HN 0.429 nan 8.210 nan 0.000 0.419 546 A N 0.062 122.880 122.820 -0.002 0.000 2.019 546 A HA -0.225 4.095 4.320 -0.002 0.000 0.219 546 A C 2.222 179.801 177.584 -0.009 0.000 1.164 546 A CA 1.270 53.304 52.037 -0.004 0.000 0.644 546 A CB -0.505 18.492 19.000 -0.004 0.000 0.805 546 A HN 0.475 nan 8.150 nan 0.000 0.449 547 Q N -0.632 119.158 119.800 -0.016 0.000 2.291 547 Q HA -0.117 4.222 4.340 -0.002 0.000 0.206 547 Q C 2.123 178.117 176.000 -0.011 0.000 0.976 547 Q CA 0.884 56.672 55.803 -0.025 0.000 0.875 547 Q CB -0.369 28.341 28.738 -0.047 0.000 0.927 547 Q HN 0.721 nan 8.270 nan 0.000 0.450 548 G N 1.102 109.897 108.800 -0.008 0.000 2.459 548 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.217 548 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.217 548 G C 1.497 176.401 174.900 0.007 0.000 1.183 548 G CA 0.933 46.031 45.100 -0.002 0.000 0.776 548 G HN 0.435 nan 8.290 nan 0.000 0.552 549 A N 0.400 123.223 122.820 0.005 0.000 1.933 549 A HA -0.001 4.318 4.320 -0.002 0.000 0.218 549 A C 2.228 179.818 177.584 0.011 0.000 1.175 549 A CA 2.195 54.237 52.037 0.008 0.000 0.628 549 A CB -0.368 18.635 19.000 0.006 0.000 0.814 549 A HN 0.414 nan 8.150 nan 0.000 0.444 550 K N -1.014 119.392 120.400 0.008 0.000 2.057 550 K HA -0.054 4.265 4.320 -0.002 0.000 0.206 550 K C 1.843 178.459 176.600 0.026 0.000 1.050 550 K CA 1.207 57.501 56.287 0.011 0.000 0.935 550 K CB -0.248 32.253 32.500 0.001 0.000 0.715 550 K HN 0.322 nan 8.250 nan 0.000 0.439 551 L N 1.324 122.568 121.223 0.034 0.000 2.056 551 L HA -0.151 4.188 4.340 -0.002 0.000 0.207 551 L C 2.295 179.193 176.870 0.048 0.000 1.078 551 L CA 1.737 56.616 54.840 0.064 0.000 0.749 551 L CB -0.651 41.461 42.059 0.087 0.000 0.901 551 L HN 0.230 nan 8.230 nan 0.000 0.433 552 Q N -0.486 119.334 119.800 0.032 0.000 2.096 552 Q HA -0.172 4.167 4.340 -0.002 0.000 0.204 552 Q C 2.204 178.217 176.000 0.021 0.000 0.982 552 Q CA 2.718 58.536 55.803 0.026 0.000 0.850 552 Q CB -0.619 28.131 28.738 0.020 0.000 0.901 552 Q HN 0.550 nan 8.270 nan 0.000 0.422 553 V N -1.774 118.151 119.914 0.019 0.000 2.490 553 V HA -0.068 4.051 4.120 -0.002 0.000 0.250 553 V C 2.093 178.197 176.094 0.016 0.000 1.061 553 V CA 1.858 64.167 62.300 0.015 0.000 1.064 553 V CB -1.500 30.330 31.823 0.013 0.000 0.670 553 V HN 0.349 nan 8.190 nan 0.000 0.461 554 A N -0.140 122.694 122.820 0.024 0.000 2.119 554 A HA 0.272 4.591 4.320 -0.002 0.000 0.217 554 A C 2.097 179.690 177.584 0.015 0.000 1.153 554 A CA 1.578 53.629 52.037 0.023 0.000 0.692 554 A CB -0.403 18.622 19.000 0.040 0.000 0.799 554 A HN 0.610 nan 8.150 nan 0.000 0.458 555 L N -0.559 120.674 121.223 0.016 0.000 2.817 555 L HA 0.027 4.367 4.340 -0.002 0.000 0.248 555 L C 2.417 179.292 176.870 0.008 0.000 1.133 555 L CA 0.740 55.587 54.840 0.011 0.000 0.935 555 L CB 0.155 42.225 42.059 0.018 0.000 1.266 555 L HN 0.460 nan 8.230 nan 0.000 0.535 556 S N -0.061 115.643 115.700 0.007 0.000 2.370 556 S HA -0.228 4.241 4.470 -0.002 0.000 0.226 556 S C 2.141 176.738 174.600 -0.006 0.000 1.033 556 S CA 1.540 59.741 58.200 0.001 0.000 1.011 556 S CB -0.652 62.549 63.200 0.001 0.000 0.852 556 S HN 0.515 nan 8.310 nan 0.000 0.457 557 S N 1.632 117.329 115.700 -0.005 0.000 2.474 557 S HA -0.017 4.452 4.470 -0.002 0.000 0.235 557 S C 1.583 176.176 174.600 -0.012 0.000 0.997 557 S CA 0.695 58.889 58.200 -0.010 0.000 0.949 557 S CB -0.784 62.412 63.200 -0.007 0.000 0.766 557 S HN 1.035 nan 8.310 nan 0.000 0.517 558 V N -2.907 117.002 119.914 -0.009 0.000 3.483 558 V HA 0.699 4.818 4.120 -0.002 0.000 0.301 558 V C 1.279 177.369 176.094 -0.008 0.000 1.389 558 V CA -0.099 62.196 62.300 -0.008 0.000 1.101 558 V CB -0.871 30.949 31.823 -0.004 0.000 0.971 558 V HN 0.706 nan 8.190 nan 0.000 0.434 559 G N 0.399 109.192 108.800 -0.012 0.000 2.176 559 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.252 559 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.252 559 G C -0.042 174.862 174.900 0.006 0.000 1.024 559 G CA 0.204 45.294 45.100 -0.016 0.000 0.755 559 G HN 0.830 nan 8.290 nan 0.000 0.507 560 V N 0.939 120.864 119.914 0.019 0.000 2.481 560 V HA 0.455 4.574 4.120 -0.002 0.000 0.286 560 V C -0.078 176.041 176.094 0.043 0.000 1.042 560 V CA -0.887 61.437 62.300 0.041 0.000 0.928 560 V CB 1.736 33.586 31.823 0.045 0.000 0.986 560 V HN 0.279 nan 8.190 nan 0.000 0.462 561 D N 3.035 123.472 120.400 0.061 0.000 2.177 561 D HA 0.397 5.036 4.640 -0.002 0.000 0.247 561 D C -0.458 175.885 176.300 0.073 0.000 1.063 561 D CA -0.155 53.882 54.000 0.062 0.000 0.867 561 D CB 2.337 43.179 40.800 0.071 0.000 1.168 561 D HN 0.225 nan 8.370 nan 0.000 0.445 562 V N 2.363 122.309 119.914 0.052 0.000 2.407 562 V HA 0.208 4.327 4.120 -0.002 0.000 0.278 562 V C 0.297 176.411 176.094 0.034 0.000 1.037 562 V CA -0.678 61.643 62.300 0.036 0.000 0.900 562 V CB 1.658 33.495 31.823 0.024 0.000 0.983 562 V HN 0.247 nan 8.190 nan 0.000 0.459 563 V N 6.048 125.973 119.914 0.018 0.000 2.347 563 V HA 0.326 4.445 4.120 -0.002 0.000 0.280 563 V C 0.023 176.081 176.094 -0.061 0.000 1.021 563 V CA -0.602 61.720 62.300 0.036 0.000 0.847 563 V CB 1.739 33.684 31.823 0.204 0.000 0.990 563 V HN 0.614 nan 8.190 nan 0.000 0.444 564 V N 6.420 126.312 119.914 -0.036 0.000 2.432 564 V HA 0.289 4.408 4.120 -0.002 0.000 0.271 564 V C 0.126 176.160 176.094 -0.101 0.000 1.046 564 V CA -0.242 62.015 62.300 -0.071 0.000 0.945 564 V CB 1.484 33.285 31.823 -0.038 0.000 0.992 564 V HN 0.618 nan 8.190 nan 0.000 0.471 565 V N 4.947 124.747 119.914 -0.191 0.000 2.435 565 V HA 0.909 5.028 4.120 -0.002 0.000 0.290 565 V C 0.362 176.173 176.094 -0.471 0.000 1.030 565 V CA -0.049 62.044 62.300 -0.346 0.000 0.881 565 V CB 1.213 32.763 31.823 -0.455 0.000 0.983 565 V HN 1.050 nan 8.190 nan 0.000 0.445 566 A N 3.329 125.888 122.820 -0.434 0.000 2.533 566 A HA 0.762 5.081 4.320 -0.002 0.000 0.293 566 A C 0.397 177.980 177.584 -0.002 0.000 1.228 566 A CA -0.477 51.443 52.037 -0.196 0.000 0.689 566 A CB 1.022 20.015 19.000 -0.012 0.000 1.303 566 A HN 0.655 nan 8.150 nan 0.000 0.444 567 E N 0.062 120.429 120.200 0.278 0.000 2.150 567 E HA -0.037 4.312 4.350 -0.002 0.000 0.193 567 E C 0.736 177.473 176.600 0.228 0.000 0.985 567 E CA 1.704 58.338 56.400 0.390 0.000 0.814 567 E CB -0.083 29.828 29.700 0.351 0.000 0.752 567 E HN 0.558 nan 8.360 nan 0.000 0.466 568 R N -1.268 119.309 120.500 0.129 0.000 2.734 568 R HA 0.405 4.744 4.340 -0.002 0.000 0.271 568 R C -0.896 175.434 176.300 0.050 0.000 1.021 568 R CA -0.946 55.204 56.100 0.084 0.000 0.893 568 R CB 0.590 30.934 30.300 0.073 0.000 1.244 568 R HN -0.189 nan 8.270 nan 0.000 0.464 569 M N 1.564 121.187 119.600 0.039 0.000 2.268 569 M HA 0.396 4.875 4.480 -0.002 0.000 0.349 569 M C -0.119 176.197 176.300 0.026 0.000 1.485 569 M CA 0.210 55.526 55.300 0.027 0.000 1.094 569 M CB 0.354 32.969 32.600 0.025 0.000 1.843 569 M HN 0.872 nan 8.290 nan 0.000 0.460 570 A N 4.136 126.969 122.820 0.022 0.000 2.552 570 A HA 0.691 5.010 4.320 -0.002 0.000 0.288 570 A C -0.351 177.243 177.584 0.016 0.000 1.193 570 A CA -0.962 51.088 52.037 0.021 0.000 0.713 570 A CB 0.986 20.000 19.000 0.024 0.000 1.305 570 A HN 0.705 nan 8.150 nan 0.000 0.424 571 N N 2.130 120.839 118.700 0.015 0.000 2.357 571 N HA 0.024 4.763 4.740 -0.002 0.000 0.257 571 N C -0.169 175.348 175.510 0.011 0.000 1.250 571 N CA 0.882 53.939 53.050 0.013 0.000 0.862 571 N CB -0.040 38.454 38.487 0.012 0.000 1.066 571 N HN 0.591 nan 8.380 nan 0.000 0.468 572 N N -1.432 117.275 118.700 0.011 0.000 2.909 572 N HA -0.170 4.569 4.740 -0.002 0.000 0.242 572 N C -0.893 174.619 175.510 0.004 0.000 0.975 572 N CA 0.507 53.562 53.050 0.008 0.000 0.921 572 N CB -1.201 37.290 38.487 0.007 0.000 1.112 572 N HN 0.249 nan 8.380 nan 0.000 0.581 573 V N 1.423 121.339 119.914 0.004 0.000 2.439 573 V HA 0.193 4.312 4.120 -0.002 0.000 0.282 573 V C 1.201 177.296 176.094 0.002 0.000 1.039 573 V CA -0.288 62.009 62.300 -0.005 0.000 0.913 573 V CB 1.953 33.773 31.823 -0.005 0.000 0.983 573 V HN 0.024 nan 8.190 nan 0.000 0.460 574 D N 2.478 122.879 120.400 0.001 0.000 2.262 574 D HA 0.138 4.777 4.640 -0.002 0.000 0.212 574 D C 0.494 176.810 176.300 0.027 0.000 0.964 574 D CA 0.787 54.801 54.000 0.022 0.000 0.875 574 D CB 0.975 41.799 40.800 0.040 0.000 0.996 574 D HN 0.675 nan 8.370 nan 0.000 0.497 575 E N -0.322 119.884 120.200 0.011 0.000 2.408 575 E HA 0.293 4.642 4.350 -0.002 0.000 0.275 575 E C -0.718 175.856 176.600 -0.045 0.000 0.935 575 E CA -0.575 55.833 56.400 0.013 0.000 0.775 575 E CB 2.420 32.158 29.700 0.063 0.000 1.277 575 E HN -0.067 nan 8.360 nan 0.000 0.455 576 T N -1.631 112.912 114.554 -0.018 0.000 2.934 576 T HA 0.230 4.579 4.350 -0.002 0.000 0.283 576 T C 0.689 175.367 174.700 -0.036 0.000 1.005 576 T CA -0.412 61.675 62.100 -0.023 0.000 1.041 576 T CB 0.465 69.372 68.868 0.065 0.000 1.042 576 T HN 0.391 nan 8.240 nan 0.000 0.505 577 Y N 1.015 121.327 120.300 0.020 0.000 2.193 577 Y HA -0.128 4.421 4.550 -0.002 0.000 0.285 577 Y C 3.226 179.135 175.900 0.016 0.000 1.166 577 Y CA 1.967 60.034 58.100 -0.055 0.000 1.181 577 Y CB -0.785 37.472 38.460 -0.338 0.000 0.976 577 Y HN 0.791 nan 8.280 nan 0.000 0.520 578 S N -0.341 115.502 115.700 0.237 0.000 2.383 578 S HA -0.207 4.262 4.470 -0.002 0.000 0.229 578 S C 2.004 176.665 174.600 0.102 0.000 1.030 578 S CA 1.176 59.477 58.200 0.170 0.000 1.002 578 S CB -0.457 62.832 63.200 0.148 0.000 0.829 578 S HN 0.417 nan 8.310 nan 0.000 0.467 579 A N 0.116 122.987 122.820 0.084 0.000 2.307 579 A HA 0.536 4.855 4.320 -0.002 0.000 0.218 579 A C 0.750 178.364 177.584 0.051 0.000 1.228 579 A CA -0.232 51.838 52.037 0.056 0.000 0.857 579 A CB 0.052 19.079 19.000 0.046 0.000 0.897 579 A HN 0.394 nan 8.150 nan 0.000 0.495 580 S N -0.184 115.561 115.700 0.076 0.000 2.621 580 S HA 0.599 5.068 4.470 -0.002 0.000 0.302 580 S C -0.910 173.742 174.600 0.086 0.000 1.093 580 S CA -0.669 57.588 58.200 0.095 0.000 1.017 580 S CB 1.644 64.954 63.200 0.184 0.000 1.077 580 S HN 0.508 nan 8.310 nan 0.000 0.517 581 D N -0.723 119.704 120.400 0.046 0.000 2.654 581 D HA 0.380 5.019 4.640 -0.002 0.000 0.231 581 D C 0.520 176.851 176.300 0.053 0.000 1.239 581 D CA -0.487 53.542 54.000 0.050 0.000 0.790 581 D CB 1.888 42.684 40.800 -0.006 0.000 1.480 581 D HN 0.512 nan 8.370 nan 0.000 0.442 582 A N 1.593 124.504 122.820 0.151 0.000 1.948 582 A HA -0.174 4.145 4.320 -0.002 0.000 0.220 582 A C 2.137 179.801 177.584 0.133 0.000 1.177 582 A CA 2.563 54.737 52.037 0.228 0.000 0.636 582 A CB -0.961 18.151 19.000 0.187 0.000 0.815 582 A HN 0.663 nan 8.150 nan 0.000 0.449 583 V N -2.657 117.270 119.914 0.023 0.000 3.078 583 V HA -0.219 3.900 4.120 -0.002 0.000 0.265 583 V C 1.796 177.807 176.094 -0.139 0.000 1.122 583 V CA 2.059 64.283 62.300 -0.126 0.000 1.141 583 V CB -1.095 30.548 31.823 -0.299 0.000 0.735 583 V HN 0.634 nan 8.190 nan 0.000 0.498 584 Q N -0.225 119.400 119.800 -0.291 0.000 2.378 584 Q HA 0.213 4.552 4.340 -0.002 0.000 0.205 584 Q C -0.303 175.451 176.000 -0.411 0.000 0.954 584 Q CA 0.755 56.299 55.803 -0.432 0.000 0.901 584 Q CB 0.110 28.293 28.738 -0.925 0.000 0.981 584 Q HN 0.724 nan 8.270 nan 0.000 0.483 585 F N -0.664 119.414 119.950 0.213 0.000 2.546 585 F HA 0.259 4.785 4.527 -0.002 0.000 0.320 585 F C 0.671 176.593 175.800 0.203 0.000 1.076 585 F CA -1.540 56.574 58.000 0.191 0.000 0.928 585 F CB 1.250 40.337 39.000 0.145 0.000 1.189 585 F HN -0.202 nan 8.300 nan 0.000 0.465 586 D N 1.017 121.654 120.400 0.396 0.000 2.305 586 D HA 0.242 4.881 4.640 -0.002 0.000 0.206 586 D C 0.306 176.734 176.300 0.213 0.000 0.974 586 D CA 0.751 54.925 54.000 0.289 0.000 0.871 586 D CB 0.642 41.639 40.800 0.328 0.000 0.947 586 D HN 0.439 nan 8.370 nan 0.000 0.516 587 A N 0.361 123.324 122.820 0.238 0.000 2.572 587 A HA 0.562 4.881 4.320 -0.002 0.000 0.295 587 A C -1.146 176.528 177.584 0.149 0.000 1.072 587 A CA -0.525 51.619 52.037 0.178 0.000 0.691 587 A CB 2.138 21.221 19.000 0.138 0.000 1.291 587 A HN -0.090 nan 8.150 nan 0.000 0.404 588 V N 1.460 121.447 119.914 0.122 0.000 2.531 588 V HA 0.599 4.718 4.120 -0.002 0.000 0.301 588 V C -0.711 175.421 176.094 0.063 0.000 1.034 588 V CA -0.486 61.848 62.300 0.057 0.000 0.865 588 V CB 1.659 33.552 31.823 0.117 0.000 0.995 588 V HN 0.740 nan 8.190 nan 0.000 0.424 589 V N 5.195 125.126 119.914 0.029 0.000 2.588 589 V HA 0.459 4.578 4.120 -0.002 0.000 0.304 589 V C -0.264 175.832 176.094 0.003 0.000 1.042 589 V CA -0.744 61.600 62.300 0.073 0.000 0.877 589 V CB 2.233 34.154 31.823 0.163 0.000 0.996 589 V HN 0.594 nan 8.190 nan 0.000 0.425 590 V N 4.364 124.246 119.914 -0.053 0.000 2.432 590 V HA 0.591 4.710 4.120 -0.002 0.000 0.271 590 V C 0.809 176.847 176.094 -0.094 0.000 1.046 590 V CA -0.284 61.939 62.300 -0.127 0.000 0.945 590 V CB 1.235 32.833 31.823 -0.374 0.000 0.992 590 V HN 1.018 nan 8.190 nan 0.000 0.471 591 A N 3.685 126.481 122.820 -0.038 0.000 2.366 591 A HA 0.313 4.632 4.320 -0.002 0.000 0.249 591 A C 0.271 177.823 177.584 -0.054 0.000 1.084 591 A CA -0.340 51.667 52.037 -0.049 0.000 0.794 591 A CB 0.167 19.160 19.000 -0.012 0.000 1.034 591 A HN 0.828 nan 8.150 nan 0.000 0.491 592 D N 0.265 120.621 120.400 -0.074 0.000 2.382 592 D HA 0.386 5.025 4.640 -0.002 0.000 0.259 592 D C 1.230 177.517 176.300 -0.022 0.000 1.224 592 D CA 1.909 55.873 54.000 -0.061 0.000 0.894 592 D CB 0.192 40.947 40.800 -0.076 0.000 1.127 592 D HN 1.103 nan 8.370 nan 0.000 0.487 593 G N 2.714 111.511 108.800 -0.006 0.000 2.218 593 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.216 593 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.216 593 G C 0.932 175.867 174.900 0.059 0.000 0.994 593 G CA 0.398 45.510 45.100 0.021 0.000 0.637 593 G HN 0.800 nan 8.290 nan 0.000 0.505 594 A N 0.932 123.802 122.820 0.084 0.000 2.218 594 A HA 0.398 4.717 4.320 -0.002 0.000 0.209 594 A C 2.006 179.755 177.584 0.275 0.000 1.168 594 A CA 1.609 53.758 52.037 0.187 0.000 0.804 594 A CB -0.267 18.885 19.000 0.254 0.000 0.834 594 A HN 0.734 nan 8.150 nan 0.000 0.482 595 E N 0.423 120.710 120.200 0.145 0.000 2.209 595 E HA -0.156 4.193 4.350 -0.002 0.000 0.196 595 E C 1.681 178.423 176.600 0.237 0.000 0.993 595 E CA 1.406 57.893 56.400 0.145 0.000 0.819 595 E CB -1.049 28.653 29.700 0.004 0.000 0.745 595 E HN 0.373 nan 8.360 nan 0.000 0.477 596 G N 1.532 110.426 108.800 0.157 0.000 2.470 596 G HA2 -0.144 3.815 3.960 -0.002 0.000 0.220 596 G HA3 -0.144 3.815 3.960 -0.002 0.000 0.220 596 G C 1.672 176.624 174.900 0.088 0.000 1.121 596 G CA 0.489 45.652 45.100 0.105 0.000 0.766 596 G HN 0.261 nan 8.290 nan 0.000 0.553 597 L N -0.780 120.494 121.223 0.085 0.000 2.552 597 L HA 0.243 4.582 4.340 -0.002 0.000 0.227 597 L C 0.988 177.646 176.870 -0.353 0.000 1.146 597 L CA 0.122 54.850 54.840 -0.187 0.000 0.858 597 L CB 0.010 41.802 42.059 -0.444 0.000 0.969 597 L HN 0.117 nan 8.230 nan 0.000 0.451 598 F N 0.010 119.935 119.950 -0.042 0.000 2.750 598 F HA 0.310 4.836 4.527 -0.001 0.000 0.297 598 F C 1.578 177.376 175.800 -0.003 0.000 1.138 598 F CA -0.817 57.168 58.000 -0.026 0.000 1.346 598 F CB -0.194 38.787 39.000 -0.033 0.000 0.965 598 F HN -0.122 nan 8.300 nan 0.000 0.514 599 G N 0.339 109.205 108.800 0.109 0.000 2.353 599 G HA2 0.247 4.206 3.960 -0.002 0.000 0.239 599 G HA3 0.247 4.206 3.960 -0.002 0.000 0.239 599 G C 1.094 176.039 174.900 0.075 0.000 1.295 599 G CA 0.198 45.345 45.100 0.077 0.000 0.884 599 G HN 0.438 nan 8.290 nan 0.000 0.537 600 A N 1.937 124.778 122.820 0.036 0.000 2.076 600 A HA -0.056 4.263 4.320 -0.002 0.000 0.220 600 A C 1.747 179.329 177.584 -0.003 0.000 1.160 600 A CA 1.911 53.943 52.037 -0.008 0.000 0.653 600 A CB -0.054 18.924 19.000 -0.038 0.000 0.801 600 A HN 0.540 nan 8.150 nan 0.000 0.455 601 D N -0.936 119.483 120.400 0.031 0.000 2.339 601 D HA 0.032 4.671 4.640 -0.002 0.000 0.217 601 D C 2.035 178.395 176.300 0.100 0.000 1.050 601 D CA 0.822 54.849 54.000 0.046 0.000 0.856 601 D CB 0.095 40.910 40.800 0.025 0.000 0.922 601 D HN 0.543 nan 8.370 nan 0.000 0.518 602 S N -0.582 115.203 115.700 0.142 0.000 2.442 602 S HA -0.166 4.303 4.470 -0.002 0.000 0.236 602 S C 1.860 176.572 174.600 0.188 0.000 1.007 602 S CA 0.496 58.781 58.200 0.141 0.000 0.965 602 S CB -0.741 62.525 63.200 0.110 0.000 0.773 602 S HN 0.282 nan 8.310 nan 0.000 0.504 603 F N 2.660 122.600 119.950 -0.016 0.000 2.186 603 F HA -0.044 4.482 4.527 -0.001 0.000 0.299 603 F C 2.841 178.635 175.800 -0.010 0.000 1.090 603 F CA 1.208 59.201 58.000 -0.012 0.000 1.307 603 F CB -0.096 38.897 39.000 -0.011 0.000 1.019 603 F HN 0.476 nan 8.300 nan 0.000 0.489 604 T N -4.183 110.477 114.554 0.177 0.000 3.004 604 T HA 0.238 4.587 4.350 -0.002 0.000 0.266 604 T C 0.364 175.093 174.700 0.049 0.000 0.986 604 T CA -0.113 62.045 62.100 0.096 0.000 0.902 604 T CB -0.759 68.160 68.868 0.085 0.000 1.118 604 T HN -0.200 nan 8.240 nan 0.000 0.522 605 V N 2.602 122.542 119.914 0.044 0.000 2.814 605 V HA 0.082 4.201 4.120 -0.002 0.000 0.307 605 V C 0.741 176.838 176.094 0.005 0.000 1.089 605 V CA -0.059 62.253 62.300 0.020 0.000 1.212 605 V CB 0.480 32.312 31.823 0.015 0.000 0.912 605 V HN 0.556 nan 8.190 nan 0.000 0.497 606 E N 7.451 127.651 120.200 0.000 0.000 2.324 606 E HA 0.114 4.463 4.350 -0.002 0.000 0.271 606 E C -1.793 174.797 176.600 -0.016 0.000 1.028 606 E CA -1.496 54.900 56.400 -0.007 0.000 0.890 606 E CB 0.829 30.526 29.700 -0.006 0.000 1.004 606 E HN 0.484 nan 8.360 nan 0.000 0.431 607 P HA -0.017 nan 4.420 nan 0.000 0.258 607 P C -0.425 176.855 177.300 -0.033 0.000 1.559 607 P CA -0.067 63.011 63.100 -0.037 0.000 0.855 607 P CB -0.400 31.272 31.700 -0.047 0.000 1.594 608 S N -0.621 115.064 115.700 -0.024 0.000 2.559 608 S HA 0.157 4.626 4.470 -0.002 0.000 0.282 608 S C 1.750 176.336 174.600 -0.024 0.000 1.336 608 S CA -0.009 58.179 58.200 -0.021 0.000 1.037 608 S CB 0.588 63.778 63.200 -0.016 0.000 0.853 608 S HN 0.219 nan 8.310 nan 0.000 0.523 609 A N 3.234 126.041 122.820 -0.022 0.000 1.882 609 A HA -0.076 4.243 4.320 -0.002 0.000 0.220 609 A C 2.247 179.818 177.584 -0.021 0.000 1.253 609 A CA 2.146 54.170 52.037 -0.022 0.000 0.664 609 A CB -1.909 17.081 19.000 -0.018 0.000 0.838 609 A HN 1.440 nan 8.150 nan 0.000 0.460 610 G N -0.928 107.862 108.800 -0.017 0.000 2.776 610 G HA2 0.048 4.007 3.960 -0.002 0.000 0.209 610 G HA3 0.048 4.007 3.960 -0.002 0.000 0.209 610 G C 1.613 176.503 174.900 -0.016 0.000 1.145 610 G CA 1.346 46.437 45.100 -0.015 0.000 0.791 610 G HN 0.969 nan 8.290 nan 0.000 0.530 611 S N -0.424 115.265 115.700 -0.019 0.000 2.474 611 S HA 0.223 4.692 4.470 -0.002 0.000 0.235 611 S C 2.182 176.768 174.600 -0.023 0.000 0.997 611 S CA 1.183 59.371 58.200 -0.019 0.000 0.949 611 S CB -0.312 62.875 63.200 -0.022 0.000 0.766 611 S HN 1.447 nan 8.310 nan 0.000 0.517 612 G N 1.037 109.819 108.800 -0.029 0.000 2.234 612 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.260 612 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.260 612 G C 0.370 175.240 174.900 -0.050 0.000 0.987 612 G CA 0.155 45.236 45.100 -0.032 0.000 0.625 612 G HN 1.495 nan 8.290 nan 0.000 0.532 613 A N 0.304 123.088 122.820 -0.061 0.000 2.531 613 A HA 0.565 4.884 4.320 -0.002 0.000 0.236 613 A C 0.967 178.458 177.584 -0.154 0.000 1.062 613 A CA 1.374 53.352 52.037 -0.099 0.000 0.760 613 A CB 0.343 19.290 19.000 -0.089 0.000 0.995 613 A HN 1.544 nan 8.150 nan 0.000 0.501 614 S N 0.011 115.553 115.700 -0.264 0.000 2.580 614 S HA 0.326 4.795 4.470 -0.002 0.000 0.274 614 S C 1.534 175.913 174.600 -0.369 0.000 1.329 614 S CA 0.178 58.160 58.200 -0.363 0.000 1.036 614 S CB 0.442 63.247 63.200 -0.657 0.000 0.919 614 S HN 1.172 nan 8.310 nan 0.000 0.515 615 T N 2.632 117.032 114.554 -0.258 0.000 3.086 615 T HA 0.217 4.567 4.350 -0.002 0.000 0.250 615 T C 1.480 176.059 174.700 -0.201 0.000 1.074 615 T CA 0.071 62.050 62.100 -0.201 0.000 0.988 615 T CB -0.267 68.534 68.868 -0.112 0.000 0.988 615 T HN 0.542 nan 8.240 nan 0.000 0.530 616 L N 0.317 121.377 121.223 -0.273 0.000 2.395 616 L HA 0.238 4.577 4.340 -0.002 0.000 0.218 616 L C 0.292 177.171 176.870 0.016 0.000 1.130 616 L CA 0.302 55.082 54.840 -0.101 0.000 0.826 616 L CB -0.229 41.834 42.059 0.008 0.000 0.941 616 L HN 0.554 nan 8.230 nan 0.000 0.451 617 Y N -4.200 116.093 120.300 -0.011 0.000 2.609 617 Y HA 0.647 5.196 4.550 -0.002 0.000 0.336 617 Y C -2.935 172.927 175.900 -0.062 0.000 1.129 617 Y CA -3.556 54.534 58.100 -0.017 0.000 1.040 617 Y CB -0.404 38.059 38.460 0.004 0.000 1.310 617 Y HN -0.271 nan 8.280 nan 0.000 0.460 618 P HA 0.281 nan 4.420 nan 0.000 0.269 618 P C -0.577 176.732 177.300 0.015 0.000 1.215 618 P CA 0.042 63.150 63.100 0.013 0.000 0.780 618 P CB 0.533 32.228 31.700 -0.008 0.000 0.898 619 A N 2.284 125.057 122.820 -0.078 0.000 2.561 619 A HA 0.367 4.686 4.320 -0.002 0.000 0.251 619 A C 1.537 178.980 177.584 -0.234 0.000 1.062 619 A CA 0.794 52.767 52.037 -0.107 0.000 0.761 619 A CB -1.572 17.366 19.000 -0.103 0.000 0.986 619 A HN 0.926 nan 8.150 nan 0.000 0.510 620 G N 2.115 110.803 108.800 -0.188 0.000 2.179 620 G HA2 -0.333 3.627 3.960 -0.002 0.000 0.260 620 G HA3 -0.333 3.627 3.960 -0.002 0.000 0.260 620 G C 1.124 175.792 174.900 -0.385 0.000 0.977 620 G CA 1.099 45.970 45.100 -0.382 0.000 0.641 620 G HN 1.151 nan 8.290 nan 0.000 0.533 621 R N 1.655 121.999 120.500 -0.261 0.000 2.112 621 R HA -0.056 4.283 4.340 -0.002 0.000 0.242 621 R C 0.102 176.215 176.300 -0.312 0.000 1.137 621 R CA 2.715 58.669 56.100 -0.243 0.000 0.944 621 R CB -1.369 28.849 30.300 -0.137 0.000 0.857 621 R HN 0.479 nan 8.270 nan 0.000 0.435 622 P HA -0.128 nan 4.420 nan 0.000 0.215 622 P C 1.303 178.418 177.300 -0.307 0.000 1.157 622 P CA 0.952 63.596 63.100 -0.759 0.000 0.868 622 P CB -0.142 30.565 31.700 -1.655 0.000 0.788 623 L N -0.320 120.776 121.223 -0.212 0.000 2.083 623 L HA -0.124 4.215 4.340 -0.002 0.000 0.209 623 L C 2.003 179.033 176.870 0.268 0.000 1.083 623 L CA 1.875 56.856 54.840 0.236 0.000 0.752 623 L CB -1.621 40.631 42.059 0.321 0.000 0.899 623 L HN -0.124 nan 8.230 nan 0.000 0.433 624 N N -0.024 118.795 118.700 0.199 0.000 2.104 624 N HA -0.209 4.530 4.740 -0.002 0.000 0.190 624 N C 1.823 177.401 175.510 0.113 0.000 1.024 624 N CA 1.966 55.125 53.050 0.181 0.000 0.853 624 N CB -0.249 38.229 38.487 -0.014 0.000 1.008 624 N HN 0.474 nan 8.380 nan 0.000 0.424 625 I N -0.222 120.420 120.570 0.119 0.000 2.179 625 I HA -0.256 3.913 4.170 -0.002 0.000 0.242 625 I C 2.131 178.350 176.117 0.171 0.000 1.088 625 I CA 0.640 62.039 61.300 0.165 0.000 1.357 625 I CB -0.275 37.873 38.000 0.246 0.000 1.051 625 I HN 0.178 nan 8.210 nan 0.000 0.409 626 L N 0.653 122.010 121.223 0.223 0.000 2.017 626 L HA -0.195 4.144 4.340 -0.002 0.000 0.208 626 L C 2.303 179.236 176.870 0.105 0.000 1.073 626 L CA 1.893 56.840 54.840 0.179 0.000 0.745 626 L CB -0.480 41.705 42.059 0.210 0.000 0.894 626 L HN 0.125 nan 8.230 nan 0.000 0.432 627 L N -0.840 120.435 121.223 0.085 0.000 2.093 627 L HA -0.188 4.151 4.340 -0.002 0.000 0.208 627 L C 2.242 179.076 176.870 -0.059 0.000 1.085 627 L CA 1.147 56.005 54.840 0.030 0.000 0.755 627 L CB -0.751 41.322 42.059 0.023 0.000 0.904 627 L HN 0.283 nan 8.230 nan 0.000 0.435 628 D N 0.200 120.506 120.400 -0.158 0.000 2.097 628 D HA -0.163 4.476 4.640 -0.002 0.000 0.195 628 D C 2.244 178.204 176.300 -0.567 0.000 0.989 628 D CA 1.522 55.184 54.000 -0.564 0.000 0.827 628 D CB -0.088 40.438 40.800 -0.457 0.000 0.966 628 D HN 0.288 nan 8.370 nan 0.000 0.456 629 A N 0.269 123.014 122.820 -0.126 0.000 1.908 629 A HA -0.203 4.116 4.320 -0.002 0.000 0.218 629 A C 2.162 179.774 177.584 0.045 0.000 1.181 629 A CA 1.229 53.294 52.037 0.047 0.000 0.627 629 A CB -1.037 18.050 19.000 0.145 0.000 0.818 629 A HN 0.268 nan 8.150 nan 0.000 0.445 630 F N 0.478 120.371 119.950 -0.095 0.000 2.075 630 F HA -0.130 4.396 4.527 -0.002 0.000 0.297 630 F C 2.469 178.196 175.800 -0.121 0.000 1.113 630 F CA 1.888 59.829 58.000 -0.098 0.000 1.218 630 F CB -0.224 38.706 39.000 -0.116 0.000 0.984 630 F HN 0.093 nan 8.300 nan 0.000 0.472 631 R N -0.896 119.542 120.500 -0.104 0.000 2.120 631 R HA -0.152 4.187 4.340 -0.002 0.000 0.234 631 R C 1.927 178.197 176.300 -0.050 0.000 1.123 631 R CA 1.258 57.255 56.100 -0.172 0.000 0.975 631 R CB -0.576 29.636 30.300 -0.147 0.000 0.866 631 R HN 0.274 nan 8.270 nan 0.000 0.446 632 F N -0.440 119.503 119.950 -0.012 0.000 2.748 632 F HA 0.190 4.716 4.527 -0.002 0.000 0.299 632 F C 1.698 177.606 175.800 0.180 0.000 1.154 632 F CA 0.751 58.810 58.000 0.098 0.000 1.446 632 F CB -0.275 38.743 39.000 0.030 0.000 1.112 632 F HN 0.253 nan 8.300 nan 0.000 0.584 633 G N 0.308 109.194 108.800 0.143 0.000 2.144 633 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.218 633 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.218 633 G C 0.446 175.437 174.900 0.152 0.000 0.988 633 G CA -0.351 44.821 45.100 0.121 0.000 0.659 633 G HN 0.339 nan 8.290 nan 0.000 0.522 634 K N 0.728 121.191 120.400 0.104 0.000 2.168 634 K HA 0.475 4.794 4.320 -0.002 0.000 0.258 634 K C 0.615 177.315 176.600 0.167 0.000 1.010 634 K CA -0.133 56.224 56.287 0.116 0.000 0.929 634 K CB 0.496 33.068 32.500 0.120 0.000 0.998 634 K HN 0.073 nan 8.250 nan 0.000 0.479 635 T N 1.598 116.296 114.554 0.240 0.000 2.871 635 T HA 0.078 4.427 4.350 -0.002 0.000 0.296 635 T C -0.178 174.609 174.700 0.145 0.000 0.998 635 T CA -0.107 62.126 62.100 0.221 0.000 1.162 635 T CB 0.123 69.174 68.868 0.305 0.000 0.947 635 T HN 0.150 nan 8.240 nan 0.000 0.536 636 V N 2.729 122.699 119.914 0.094 0.000 2.656 636 V HA 0.841 4.960 4.120 -0.002 0.000 0.307 636 V C 0.520 176.692 176.094 0.130 0.000 1.051 636 V CA -0.621 61.743 62.300 0.106 0.000 0.893 636 V CB 2.196 34.086 31.823 0.113 0.000 0.999 636 V HN 1.053 nan 8.190 nan 0.000 0.426 637 G N 2.222 111.121 108.800 0.164 0.000 2.642 637 G HA2 0.899 4.858 3.960 -0.002 0.000 0.293 637 G HA3 0.899 4.858 3.960 -0.002 0.000 0.293 637 G C -1.351 173.656 174.900 0.179 0.000 1.341 637 G CA -0.252 45.016 45.100 0.280 0.000 0.916 637 G HN 1.182 nan 8.290 nan 0.000 0.474 638 A N -0.134 122.789 122.820 0.171 0.000 2.549 638 A HA 0.791 5.110 4.320 -0.002 0.000 0.297 638 A C -1.300 176.199 177.584 -0.140 0.000 1.061 638 A CA -0.511 51.511 52.037 -0.024 0.000 0.690 638 A CB 1.366 20.316 19.000 -0.085 0.000 1.287 638 A HN 0.721 nan 8.150 nan 0.000 0.402 639 L N 2.083 123.165 121.223 -0.235 0.000 2.346 639 L HA 0.668 5.007 4.340 -0.002 0.000 0.276 639 L C 1.260 178.015 176.870 -0.192 0.000 1.006 639 L CA 0.314 54.956 54.840 -0.330 0.000 0.817 639 L CB 1.612 43.424 42.059 -0.413 0.000 1.272 639 L HN 1.453 nan 8.230 nan 0.000 0.421 640 G N 1.839 110.541 108.800 -0.163 0.000 2.634 640 G HA2 -0.355 3.604 3.960 -0.002 0.000 0.309 640 G HA3 -0.355 3.604 3.960 -0.002 0.000 0.309 640 G C 0.833 175.681 174.900 -0.087 0.000 1.265 640 G CA 0.470 45.506 45.100 -0.105 0.000 0.998 640 G HN 0.587 nan 8.290 nan 0.000 0.551 641 S N 1.545 117.203 115.700 -0.070 0.000 2.603 641 S HA 0.128 4.597 4.470 -0.002 0.000 0.229 641 S C 2.362 176.917 174.600 -0.076 0.000 0.972 641 S CA 1.499 59.663 58.200 -0.060 0.000 0.935 641 S CB -0.513 62.663 63.200 -0.040 0.000 0.769 641 S HN 1.395 nan 8.310 nan 0.000 0.536 642 G N 2.055 110.797 108.800 -0.098 0.000 2.485 642 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.221 642 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.221 642 G C 1.560 176.359 174.900 -0.168 0.000 1.115 642 G CA 1.278 46.293 45.100 -0.141 0.000 0.751 642 G HN 0.687 nan 8.290 nan 0.000 0.567 643 S N 0.813 116.438 115.700 -0.125 0.000 2.442 643 S HA -0.117 4.352 4.470 -0.002 0.000 0.236 643 S C 1.692 176.220 174.600 -0.120 0.000 1.007 643 S CA 1.548 59.678 58.200 -0.116 0.000 0.965 643 S CB -0.204 62.947 63.200 -0.081 0.000 0.773 643 S HN 0.290 nan 8.310 nan 0.000 0.504 644 D N 2.517 122.855 120.400 -0.104 0.000 2.182 644 D HA 0.021 4.660 4.640 -0.002 0.000 0.201 644 D C 2.177 178.413 176.300 -0.106 0.000 0.986 644 D CA 1.338 55.287 54.000 -0.085 0.000 0.847 644 D CB -0.640 40.129 40.800 -0.052 0.000 0.942 644 D HN 0.592 nan 8.370 nan 0.000 0.467 645 A N 0.416 123.126 122.820 -0.184 0.000 1.933 645 A HA -0.117 4.202 4.320 -0.002 0.000 0.218 645 A C 2.318 179.770 177.584 -0.220 0.000 1.175 645 A CA 0.811 52.685 52.037 -0.271 0.000 0.628 645 A CB -0.658 17.873 19.000 -0.781 0.000 0.814 645 A HN 0.228 nan 8.150 nan 0.000 0.444 646 L N -0.955 120.138 121.223 -0.215 0.000 2.046 646 L HA -0.210 4.129 4.340 -0.002 0.000 0.208 646 L C 2.638 179.407 176.870 -0.169 0.000 1.077 646 L CA 1.855 56.577 54.840 -0.195 0.000 0.747 646 L CB -0.598 41.355 42.059 -0.177 0.000 0.896 646 L HN 0.560 nan 8.230 nan 0.000 0.432 647 E N 0.093 120.214 120.200 -0.132 0.000 2.051 647 E HA -0.203 4.146 4.350 -0.002 0.000 0.192 647 E C 2.264 178.807 176.600 -0.096 0.000 0.991 647 E CA 1.544 57.880 56.400 -0.108 0.000 0.799 647 E CB 0.132 29.783 29.700 -0.082 0.000 0.748 647 E HN 0.354 nan 8.360 nan 0.000 0.449 648 S N -0.400 115.256 115.700 -0.074 0.000 2.368 648 S HA -0.120 4.349 4.470 -0.002 0.000 0.225 648 S C 1.764 176.323 174.600 -0.068 0.000 1.030 648 S CA 1.060 59.233 58.200 -0.044 0.000 0.999 648 S CB -0.175 63.036 63.200 0.019 0.000 0.844 648 S HN 0.477 nan 8.310 nan 0.000 0.459 649 G N -0.033 108.711 108.800 -0.093 0.000 2.920 649 G HA2 0.118 4.077 3.960 -0.002 0.000 0.208 649 G HA3 0.118 4.077 3.960 -0.002 0.000 0.208 649 G C 0.065 174.847 174.900 -0.196 0.000 1.159 649 G CA -0.235 44.787 45.100 -0.130 0.000 0.784 649 G HN 0.528 nan 8.290 nan 0.000 0.535 650 Q N -1.047 118.644 119.800 -0.182 0.000 2.468 650 Q HA -0.167 4.172 4.340 -0.002 0.000 0.289 650 Q C -0.470 175.355 176.000 -0.291 0.000 1.299 650 Q CA 0.409 56.095 55.803 -0.195 0.000 0.838 650 Q CB -1.747 26.894 28.738 -0.161 0.000 1.195 650 Q HN 0.526 nan 8.270 nan 0.000 0.456 651 I N 0.816 121.177 120.570 -0.348 0.000 2.330 651 I HA 0.205 4.374 4.170 -0.002 0.000 0.289 651 I C 0.549 176.474 176.117 -0.321 0.000 1.001 651 I CA -0.390 60.601 61.300 -0.515 0.000 1.193 651 I CB 1.674 39.289 38.000 -0.641 0.000 1.345 651 I HN 0.094 nan 8.210 nan 0.000 0.461 652 S N 3.811 119.352 115.700 -0.265 0.000 2.523 652 S HA 0.108 4.577 4.470 -0.002 0.000 0.275 652 S C 1.318 175.831 174.600 -0.146 0.000 1.281 652 S CA -0.253 57.849 58.200 -0.164 0.000 1.050 652 S CB 1.144 64.273 63.200 -0.118 0.000 0.937 652 S HN 0.742 nan 8.310 nan 0.000 0.492 653 S N 3.262 118.890 115.700 -0.120 0.000 2.481 653 S HA -0.030 4.439 4.470 -0.002 0.000 0.231 653 S C 1.108 175.640 174.600 -0.113 0.000 0.996 653 S CA 0.745 58.877 58.200 -0.113 0.000 0.942 653 S CB -0.487 62.666 63.200 -0.079 0.000 0.768 653 S HN 0.820 nan 8.310 nan 0.000 0.520 654 E N 1.169 121.316 120.200 -0.089 0.000 2.338 654 E HA 0.093 4.442 4.350 -0.002 0.000 0.197 654 E C 0.610 177.157 176.600 -0.089 0.000 1.007 654 E CA 0.316 56.670 56.400 -0.076 0.000 0.849 654 E CB 0.001 29.670 29.700 -0.052 0.000 0.774 654 E HN 0.388 nan 8.360 nan 0.000 0.506 655 R N 1.895 122.341 120.500 -0.090 0.000 2.623 655 R HA 0.037 4.376 4.340 -0.002 0.000 0.271 655 R C 0.289 176.475 176.300 -0.189 0.000 1.043 655 R CA 0.060 56.115 56.100 -0.075 0.000 1.083 655 R CB 0.078 30.400 30.300 0.037 0.000 0.974 655 R HN 0.173 nan 8.270 nan 0.000 0.436 656 Q N 0.376 120.072 119.800 -0.173 0.000 2.315 656 Q HA 0.097 4.436 4.340 -0.002 0.000 0.289 656 Q C 1.106 176.632 176.000 -0.790 0.000 1.044 656 Q CA 1.122 56.756 55.803 -0.282 0.000 0.920 656 Q CB 0.467 29.213 28.738 0.014 0.000 1.214 656 Q HN 0.898 nan 8.270 nan 0.000 0.392 657 G N 1.229 109.239 108.800 -1.317 0.000 2.153 657 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.252 657 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.252 657 G C -0.157 174.086 174.900 -1.094 0.000 0.994 657 G CA 0.221 44.118 45.100 -2.005 0.000 0.698 657 G HN 0.406 nan 8.290 nan 0.000 0.521 658 V N 0.394 119.743 119.914 -0.942 0.000 2.409 658 V HA 0.713 4.832 4.120 -0.002 0.000 0.291 658 V C -0.506 175.203 176.094 -0.642 0.000 1.020 658 V CA -1.000 60.984 62.300 -0.527 0.000 0.848 658 V CB 1.256 32.937 31.823 -0.236 0.000 0.990 658 V HN 0.256 nan 8.190 nan 0.000 0.430 659 Y N 2.052 122.327 120.300 -0.041 0.000 2.425 659 Y HA 0.730 5.279 4.550 -0.002 0.000 0.344 659 Y C 0.486 176.492 175.900 0.176 0.000 0.969 659 Y CA -0.799 57.310 58.100 0.014 0.000 1.052 659 Y CB 2.483 40.880 38.460 -0.105 0.000 1.215 659 Y HN 0.703 nan 8.280 nan 0.000 0.451 660 T N -0.732 114.023 114.554 0.335 0.000 2.906 660 T HA 0.966 5.315 4.350 -0.002 0.000 0.295 660 T C -0.305 174.563 174.700 0.279 0.000 1.075 660 T CA -0.766 61.495 62.100 0.268 0.000 1.005 660 T CB 2.114 71.032 68.868 0.084 0.000 1.136 660 T HN 1.030 nan 8.240 nan 0.000 0.498 661 G N 0.155 108.999 108.800 0.074 0.000 2.660 661 G HA2 0.465 4.424 3.960 -0.002 0.000 0.290 661 G HA3 0.465 4.424 3.960 -0.002 0.000 0.290 661 G C 0.009 174.829 174.900 -0.133 0.000 1.432 661 G CA -0.637 44.470 45.100 0.010 0.000 0.807 661 G HN 0.847 nan 8.290 nan 0.000 0.485 662 K N -0.832 119.517 120.400 -0.086 0.000 2.031 662 K HA 0.017 4.336 4.320 -0.002 0.000 0.205 662 K C 0.526 177.041 176.600 -0.140 0.000 1.049 662 K CA 1.022 57.254 56.287 -0.091 0.000 0.939 662 K CB -0.016 32.455 32.500 -0.047 0.000 0.717 662 K HN 0.406 nan 8.250 nan 0.000 0.438 663 N N -1.847 116.757 118.700 -0.159 0.000 2.853 663 N HA 0.237 4.976 4.740 -0.002 0.000 0.258 663 N C -1.906 173.483 175.510 -0.202 0.000 1.444 663 N CA -0.309 52.639 53.050 -0.170 0.000 0.837 663 N CB 1.710 40.145 38.487 -0.086 0.000 1.489 663 N HN 0.054 nan 8.380 nan 0.000 0.529 664 A N 0.492 123.221 122.820 -0.152 0.000 3.063 664 A HA 0.523 4.842 4.320 -0.002 0.000 0.263 664 A C 0.704 178.312 177.584 0.041 0.000 1.736 664 A CA 0.258 52.261 52.037 -0.056 0.000 1.408 664 A CB -1.454 17.528 19.000 -0.030 0.000 1.108 664 A HN 0.557 nan 8.150 nan 0.000 0.621 665 G N -0.712 108.128 108.800 0.067 0.000 2.671 665 G HA2 0.377 4.336 3.960 -0.002 0.000 0.275 665 G HA3 0.377 4.336 3.960 -0.002 0.000 0.275 665 G C 0.246 175.203 174.900 0.095 0.000 1.368 665 G CA -0.225 44.914 45.100 0.066 0.000 1.044 665 G HN 0.312 nan 8.290 nan 0.000 0.543 666 D N -0.156 120.280 120.400 0.059 0.000 2.144 666 D HA -0.111 4.528 4.640 -0.002 0.000 0.200 666 D C 2.647 178.973 176.300 0.043 0.000 0.978 666 D CA 1.336 55.362 54.000 0.043 0.000 0.833 666 D CB -0.162 40.653 40.800 0.025 0.000 0.961 666 D HN 0.327 nan 8.370 nan 0.000 0.470 667 A N 0.925 123.782 122.820 0.060 0.000 1.883 667 A HA -0.195 4.124 4.320 -0.002 0.000 0.217 667 A C 2.066 179.695 177.584 0.075 0.000 1.186 667 A CA 1.067 53.139 52.037 0.059 0.000 0.624 667 A CB -0.983 18.060 19.000 0.070 0.000 0.822 667 A HN 0.229 nan 8.150 nan 0.000 0.444 668 F N 0.792 120.725 119.950 -0.029 0.000 2.146 668 F HA 0.027 4.553 4.527 -0.002 0.000 0.298 668 F C 2.513 178.267 175.800 -0.076 0.000 1.096 668 F CA 1.022 58.996 58.000 -0.043 0.000 1.275 668 F CB -0.402 38.584 39.000 -0.024 0.000 1.008 668 F HN 0.241 nan 8.300 nan 0.000 0.480 669 A N 0.268 123.091 122.820 0.005 0.000 1.933 669 A HA -0.245 4.074 4.320 -0.002 0.000 0.218 669 A C 2.318 179.798 177.584 -0.173 0.000 1.175 669 A CA 1.866 53.849 52.037 -0.089 0.000 0.628 669 A CB -0.872 18.135 19.000 0.012 0.000 0.814 669 A HN 0.467 nan 8.150 nan 0.000 0.444 670 K N -0.514 119.807 120.400 -0.131 0.000 2.063 670 K HA -0.226 4.093 4.320 -0.002 0.000 0.208 670 K C 1.327 177.783 176.600 -0.240 0.000 1.048 670 K CA 1.817 58.025 56.287 -0.133 0.000 0.928 670 K CB -0.235 32.222 32.500 -0.072 0.000 0.713 670 K HN 0.362 nan 8.250 nan 0.000 0.442 671 D N 0.790 120.967 120.400 -0.373 0.000 2.097 671 D HA -0.142 4.497 4.640 -0.002 0.000 0.195 671 D C 1.921 177.633 176.300 -0.979 0.000 0.989 671 D CA 0.862 54.449 54.000 -0.688 0.000 0.827 671 D CB -0.081 40.284 40.800 -0.726 0.000 0.966 671 D HN 0.183 nan 8.370 nan 0.000 0.456 672 I N 1.165 121.248 120.570 -0.812 0.000 2.226 672 I HA -0.210 3.959 4.170 -0.002 0.000 0.245 672 I C 2.107 178.059 176.117 -0.275 0.000 1.100 672 I CA 1.162 62.128 61.300 -0.556 0.000 1.374 672 I CB -0.747 36.989 38.000 -0.439 0.000 1.057 672 I HN 0.053 nan 8.210 nan 0.000 0.413 673 K N 0.188 120.458 120.400 -0.215 0.000 2.097 673 K HA -0.139 4.180 4.320 -0.002 0.000 0.205 673 K C 2.342 178.906 176.600 -0.060 0.000 1.050 673 K CA 1.546 57.776 56.287 -0.095 0.000 0.938 673 K CB -0.189 32.267 32.500 -0.074 0.000 0.718 673 K HN 0.195 nan 8.250 nan 0.000 0.442 674 S N 0.409 116.045 115.700 -0.106 0.000 2.368 674 S HA -0.119 4.350 4.470 -0.002 0.000 0.225 674 S C 2.110 176.774 174.600 0.107 0.000 1.030 674 S CA 1.587 59.779 58.200 -0.014 0.000 0.999 674 S CB -0.471 62.712 63.200 -0.029 0.000 0.844 674 S HN 0.447 nan 8.310 nan 0.000 0.459 675 G N 1.453 110.312 108.800 0.099 0.000 2.418 675 G HA2 -0.079 3.880 3.960 -0.002 0.000 0.217 675 G HA3 -0.079 3.880 3.960 -0.002 0.000 0.217 675 G C 1.469 176.554 174.900 0.309 0.000 1.158 675 G CA 0.867 46.238 45.100 0.452 0.000 0.771 675 G HN 0.519 nan 8.290 nan 0.000 0.545 676 L N 0.758 122.080 121.223 0.166 0.000 2.093 676 L HA -0.071 4.268 4.340 -0.002 0.000 0.208 676 L C 3.172 180.148 176.870 0.177 0.000 1.085 676 L CA 1.073 56.020 54.840 0.178 0.000 0.755 676 L CB -0.289 41.845 42.059 0.126 0.000 0.904 676 L HN 0.176 nan 8.230 nan 0.000 0.435 677 S N -0.926 114.838 115.700 0.107 0.000 2.382 677 S HA -0.163 4.306 4.470 -0.002 0.000 0.228 677 S C 1.979 176.619 174.600 0.067 0.000 1.027 677 S CA 1.767 60.010 58.200 0.072 0.000 0.991 677 S CB -0.226 62.998 63.200 0.040 0.000 0.823 677 S HN 0.449 nan 8.310 nan 0.000 0.469 678 T N 0.495 115.069 114.554 0.034 0.000 2.857 678 T HA 0.052 4.401 4.350 -0.002 0.000 0.266 678 T C 1.045 175.721 174.700 -0.040 0.000 1.048 678 T CA 1.196 63.229 62.100 -0.112 0.000 1.139 678 T CB -0.346 68.280 68.868 -0.404 0.000 0.874 678 T HN 0.406 nan 8.240 nan 0.000 0.455 679 F N 0.756 120.627 119.950 -0.133 0.000 2.545 679 F HA -0.281 4.245 4.527 -0.002 0.000 0.690 679 F C 0.103 175.917 175.800 0.023 0.000 0.488 679 F CA 1.815 59.800 58.000 -0.026 0.000 0.791 679 F CB -0.468 38.507 39.000 -0.041 0.000 1.653 679 F HN 0.138 nan 8.300 nan 0.000 0.266 680 K N 0.245 120.573 120.400 -0.120 0.000 2.443 680 K HA 0.510 4.829 4.320 -0.002 0.000 0.252 680 K C -1.509 174.988 176.600 -0.171 0.000 0.933 680 K CA -0.672 55.571 56.287 -0.073 0.000 0.792 680 K CB 1.048 33.654 32.500 0.177 0.000 1.185 680 K HN -0.004 nan 8.250 nan 0.000 0.425 681 F N 5.591 125.597 119.950 0.094 0.000 2.335 681 F HA 0.239 4.765 4.527 -0.002 0.000 0.365 681 F C 1.082 176.958 175.800 0.127 0.000 1.122 681 F CA -0.495 57.540 58.000 0.059 0.000 1.151 681 F CB 0.686 39.659 39.000 -0.045 0.000 1.282 681 F HN 0.428 nan 8.300 nan 0.000 0.513 682 L N 1.937 123.287 121.223 0.212 0.000 2.478 682 L HA -0.109 4.230 4.340 -0.002 0.000 0.223 682 L C 1.815 178.830 176.870 0.242 0.000 1.140 682 L CA 0.446 55.451 54.840 0.275 0.000 0.842 682 L CB -0.331 41.756 42.059 0.047 0.000 0.953 682 L HN 0.547 nan 8.230 nan 0.000 0.452 683 D N 0.122 120.600 120.400 0.129 0.000 2.378 683 D HA -0.161 4.478 4.640 -0.002 0.000 0.227 683 D C 1.684 177.958 176.300 -0.043 0.000 1.012 683 D CA 0.550 54.580 54.000 0.050 0.000 0.905 683 D CB -0.072 40.756 40.800 0.046 0.000 0.895 683 D HN 0.254 nan 8.370 nan 0.000 0.532 684 R N -0.743 119.644 120.500 -0.189 0.000 2.310 684 R HA 0.190 4.529 4.340 -0.002 0.000 0.202 684 R C -0.312 175.587 176.300 -0.669 0.000 0.933 684 R CA -0.035 55.767 56.100 -0.498 0.000 1.054 684 R CB 0.045 29.849 30.300 -0.827 0.000 0.985 684 R HN 0.128 nan 8.270 nan 0.000 0.489 685 F N 0.585 120.548 119.950 0.021 0.000 2.467 685 F HA 0.447 4.973 4.527 -0.002 0.000 0.336 685 F C 0.458 176.272 175.800 0.024 0.000 1.123 685 F CA -1.408 56.630 58.000 0.064 0.000 0.964 685 F CB 1.193 40.291 39.000 0.164 0.000 1.136 685 F HN -0.120 nan 8.300 nan 0.000 0.447 686 A N 2.703 125.632 122.820 0.182 0.000 2.407 686 A HA 0.624 4.943 4.320 -0.002 0.000 0.248 686 A C -0.484 177.155 177.584 0.091 0.000 1.082 686 A CA -0.321 51.779 52.037 0.104 0.000 0.785 686 A CB 0.351 19.405 19.000 0.090 0.000 1.020 686 A HN 0.592 nan 8.150 nan 0.000 0.489 687 V N 2.537 122.476 119.914 0.041 0.000 2.680 687 V HA 0.236 4.355 4.120 -0.002 0.000 0.309 687 V C -0.377 175.729 176.094 0.020 0.000 1.052 687 V CA -0.956 61.349 62.300 0.009 0.000 0.908 687 V CB 1.934 33.732 31.823 -0.041 0.000 1.001 687 V HN 0.939 nan 8.190 nan 0.000 0.431 688 D N 3.070 123.487 120.400 0.028 0.000 2.488 688 D HA 0.120 4.759 4.640 -0.002 0.000 0.238 688 D C 0.335 176.648 176.300 0.021 0.000 1.138 688 D CA 0.451 54.472 54.000 0.035 0.000 0.873 688 D CB 1.043 41.874 40.800 0.052 0.000 1.183 688 D HN 0.561 nan 8.370 nan 0.000 0.458 689 E N 0.000 120.213 120.200 0.021 0.000 2.725 689 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 689 E CA 0.000 56.408 56.400 0.013 0.000 0.976 689 E CB 0.000 29.708 29.700 0.013 0.000 0.812 689 E HN 0.000 nan 8.360 nan 0.000 0.440