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 2vzs_1_B DATA FIRST_RESID 42 DATA SEQUENCE LSVGAAAGNA TPIPGYVIQS SAQVSDDSAV SKPGFPTSGW YPVSSRSTVY DATA SEQUENCE AGLLQNGKYA DPFYSTNMQN VPAAQFSVPW WYRTDLNVDD TSSRTYLDFS DATA SEQUENCE GVLSKADVWV NGTKVATKDQ VNGAYTRHDL DITAQVHTGV NSVAFKVYPN DATA SEQUENCE DPNRDLSMGW IDWAQTPPDQ NMGIVRDVLV RRSGAVALRS AHVIQKLNSA DATA SEQUENCE LDHADLTVKA DVRNDSANAV QTTVAGTVAG KPISQTVSLA AKERKTVTFP DATA SEQUENCE LVGLDRPNVW WPAGMGGQHR YDLDLTASVG GTPSDAAKSK FGVRDVKATL DATA SEQUENCE NSSGGRQYSV NGKPLLIRGG GYTPDLFLRW NETAAADKLK YVLNLGLNTV DATA SEQUENCE RLEGHIEPDE FFDIADDLGV LTMPGWECCD KWEGQVNGEE KGEPWVESDY DATA SEQUENCE PIAKASMFSE AERLRDHPSV ISFHIGSDFA PDRRIEQGYL DAMKAADFLL DATA SEQUENCE PVIPAASARP SPITGASGMK MNGPYDYVPP VYWYDKSQKD RGGAWSFNSE DATA SEQUENCE TSAGVDIPTM DTLKRMMSAS ELDTMWKNPS AKQYHRSSSD TFGNLKLFGD DATA SEQUENCE ALTKRYGASA NLNDFVRKAQ LSQYENVRAE FESHSRNYTD STNPSTGLIY DATA SEQUENCE WMLNSPWTSL HWQLFDAYMD QNGAYYGAKK ANEPLHIQYS HDNRSVVVIN DATA SEQUENCE QTSNAVSGLT ATTKLYNLDG TEKYSNTKTG LSVGALGAKA TAVTVPAVSG DATA SEQUENCE LSTTYLAKNV LTDSSGKEVS RNVYWLSTKA DTLNWGGSDW YYTPQSAFAD DATA SEQUENCE LSGLNNLGQS AVGATANSVA GADGTTTTTV TLKNTSGGRL PAFYVDSKVV DATA SEQUENCE DSAGKPVLPV EWNDNAVSLW PGETTTLTAK YRTADLKGSK PSVRISGWNT DATA SEQUENCE GTQTVPAD 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 42 L HA 0.000 nan 4.340 nan 0.000 0.249 42 L C 0.000 176.887 176.870 0.028 0.000 1.165 42 L CA 0.000 54.853 54.840 0.021 0.000 0.813 42 L CB 0.000 42.068 42.059 0.014 0.000 0.961 43 S N 3.039 118.758 115.700 0.031 0.000 2.499 43 S HA 0.747 5.217 4.470 -0.000 0.000 0.279 43 S C -0.334 174.291 174.600 0.041 0.000 1.219 43 S CA -0.241 57.980 58.200 0.034 0.000 1.062 43 S CB 1.622 64.842 63.200 0.033 0.000 0.978 43 S HN 0.885 nan 8.310 nan 0.000 0.489 44 V N 2.016 121.956 119.914 0.043 0.000 2.370 44 V HA 0.830 4.950 4.120 -0.000 0.000 0.283 44 V C 0.552 176.675 176.094 0.049 0.000 1.023 44 V CA -0.583 61.748 62.300 0.051 0.000 0.857 44 V CB 0.566 32.425 31.823 0.059 0.000 0.985 44 V HN 0.863 nan 8.190 nan 0.000 0.443 45 G N 3.837 112.668 108.800 0.052 0.000 2.559 45 G HA2 0.400 4.360 3.960 -0.000 0.000 0.235 45 G HA3 0.400 4.360 3.960 -0.000 0.000 0.235 45 G C 0.988 175.919 174.900 0.051 0.000 1.266 45 G CA -0.011 45.118 45.100 0.049 0.000 0.847 45 G HN 1.741 nan 8.290 nan 0.000 0.583 46 A N 1.452 124.300 122.820 0.047 0.000 2.119 46 A HA 0.481 4.801 4.320 -0.000 0.000 0.217 46 A C 1.753 179.368 177.584 0.052 0.000 1.153 46 A CA 1.357 53.422 52.037 0.047 0.000 0.692 46 A CB -0.248 18.776 19.000 0.041 0.000 0.799 46 A HN 1.454 nan 8.150 nan 0.000 0.458 47 A N 0.165 123.017 122.820 0.052 0.000 2.328 47 A HA 0.625 4.945 4.320 -0.000 0.000 0.284 47 A C 0.692 178.313 177.584 0.062 0.000 1.160 47 A CA 0.043 52.112 52.037 0.053 0.000 0.818 47 A CB -0.102 18.926 19.000 0.047 0.000 1.087 47 A HN 1.250 nan 8.150 nan 0.000 0.504 48 A N 1.713 124.570 122.820 0.062 0.000 2.565 48 A HA 0.464 4.784 4.320 -0.000 0.000 0.237 48 A C 1.483 179.102 177.584 0.060 0.000 1.053 48 A CA 0.810 52.888 52.037 0.068 0.000 0.755 48 A CB -0.604 18.433 19.000 0.063 0.000 0.980 48 A HN 2.765 nan 8.150 nan 0.000 0.506 49 G N 1.898 110.735 108.800 0.061 0.000 2.149 49 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.235 49 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.235 49 G C -0.231 174.702 174.900 0.054 0.000 1.018 49 G CA 0.278 45.407 45.100 0.050 0.000 0.728 49 G HN 1.016 nan 8.290 nan 0.000 0.508 50 N N -0.113 118.627 118.700 0.065 0.000 2.269 50 N HA 0.729 5.469 4.740 -0.000 0.000 0.304 50 N C -0.289 175.270 175.510 0.081 0.000 1.072 50 N CA -0.140 52.951 53.050 0.069 0.000 0.802 50 N CB 1.883 40.411 38.487 0.069 0.000 1.348 50 N HN 0.577 nan 8.380 nan 0.000 0.484 51 A N 1.206 124.075 122.820 0.081 0.000 2.359 51 A HA 0.614 4.934 4.320 -0.000 0.000 0.303 51 A C -0.906 176.735 177.584 0.094 0.000 1.066 51 A CA -0.530 51.564 52.037 0.095 0.000 0.730 51 A CB 1.036 20.091 19.000 0.091 0.000 1.211 51 A HN 0.489 nan 8.150 nan 0.000 0.439 52 T N 5.024 119.639 114.554 0.103 0.000 2.809 52 T HA 0.607 4.957 4.350 -0.000 0.000 0.284 52 T C -2.857 171.906 174.700 0.105 0.000 0.992 52 T CA -1.163 60.993 62.100 0.094 0.000 0.957 52 T CB 1.540 70.457 68.868 0.082 0.000 0.942 52 T HN 0.532 nan 8.240 nan 0.000 0.439 53 P HA 0.299 nan 4.420 nan 0.000 0.275 53 P C -0.371 176.980 177.300 0.085 0.000 1.228 53 P CA -0.519 62.647 63.100 0.110 0.000 0.786 53 P CB 0.796 32.560 31.700 0.107 0.000 0.927 54 I N 5.469 126.090 120.570 0.085 0.000 2.505 54 I HA 0.043 4.213 4.170 -0.000 0.000 0.287 54 I C -0.792 175.287 176.117 -0.062 0.000 1.104 54 I CA -1.466 59.828 61.300 -0.010 0.000 1.387 54 I CB 0.763 38.749 38.000 -0.023 0.000 1.404 54 I HN 0.300 nan 8.210 nan 0.000 0.528 55 P HA 0.111 nan 4.420 nan 0.000 0.236 55 P C 0.442 177.720 177.300 -0.037 0.000 1.177 55 P CA 0.543 63.635 63.100 -0.013 0.000 0.773 55 P CB 0.648 32.355 31.700 0.012 0.000 0.878 56 G N -1.582 107.089 108.800 -0.215 0.000 2.466 56 G HA2 0.500 4.459 3.960 -0.000 0.000 0.291 56 G HA3 0.500 4.459 3.960 -0.000 0.000 0.291 56 G C -2.278 172.359 174.900 -0.438 0.000 1.460 56 G CA -0.618 44.394 45.100 -0.147 0.000 0.791 56 G HN -0.080 nan 8.290 nan 0.000 0.505 57 Y N -1.445 118.968 120.300 0.189 0.000 2.615 57 Y HA 0.655 5.205 4.550 -0.000 0.000 0.341 57 Y C 0.370 176.390 175.900 0.201 0.000 1.089 57 Y CA -1.046 57.185 58.100 0.219 0.000 1.049 57 Y CB 2.354 40.980 38.460 0.276 0.000 1.296 57 Y HN 0.647 nan 8.280 nan 0.000 0.470 58 V N 1.508 121.672 119.914 0.416 0.000 2.532 58 V HA 0.795 4.915 4.120 -0.000 0.000 0.295 58 V C -0.380 176.073 176.094 0.597 0.000 1.041 58 V CA -0.775 61.795 62.300 0.449 0.000 0.926 58 V CB 1.187 33.242 31.823 0.386 0.000 0.992 58 V HN 0.726 nan 8.190 nan 0.000 0.457 59 I N 1.253 122.116 120.570 0.488 0.000 2.892 59 I HA 0.989 5.159 4.170 -0.000 0.000 0.306 59 I C -0.837 175.342 176.117 0.104 0.000 1.078 59 I CA -0.812 60.664 61.300 0.293 0.000 1.032 59 I CB 2.357 40.325 38.000 -0.052 0.000 1.229 59 I HN 0.768 nan 8.210 nan 0.000 0.435 60 Q N 2.539 122.136 119.800 -0.338 0.000 2.527 60 Q HA 0.350 4.690 4.340 -0.000 0.000 0.280 60 Q C -1.193 174.156 176.000 -1.084 0.000 0.977 60 Q CA -0.414 54.854 55.803 -0.892 0.000 0.837 60 Q CB 2.253 29.779 28.738 -2.021 0.000 1.454 60 Q HN 0.924 nan 8.270 nan 0.000 0.387 61 S N 0.454 115.029 115.700 -1.876 0.000 2.563 61 S HA 0.107 4.577 4.470 -0.000 0.000 0.284 61 S C 0.819 175.016 174.600 -0.671 0.000 1.331 61 S CA 0.623 57.761 58.200 -1.770 0.000 1.047 61 S CB 0.205 62.614 63.200 -1.319 0.000 0.859 61 S HN 0.789 nan 8.310 nan 0.000 0.514 62 S N 3.773 119.245 115.700 -0.381 0.000 2.595 62 S HA 0.001 4.471 4.470 -0.000 0.000 0.235 62 S C 1.766 176.334 174.600 -0.053 0.000 0.974 62 S CA 0.501 58.706 58.200 0.008 0.000 0.942 62 S CB -0.586 62.583 63.200 -0.051 0.000 0.766 62 S HN 0.919 nan 8.310 nan 0.000 0.536 63 A N 1.397 124.101 122.820 -0.193 0.000 2.015 63 A HA -0.030 4.289 4.320 -0.000 0.000 0.219 63 A C 2.143 179.667 177.584 -0.100 0.000 1.163 63 A CA 0.914 52.870 52.037 -0.134 0.000 0.646 63 A CB -0.319 18.581 19.000 -0.166 0.000 0.806 63 A HN 0.508 nan 8.150 nan 0.000 0.448 64 Q N -0.465 119.253 119.800 -0.137 0.000 2.280 64 Q HA 0.196 4.536 4.340 -0.000 0.000 0.202 64 Q C -0.657 175.383 176.000 0.067 0.000 0.903 64 Q CA 0.292 56.059 55.803 -0.060 0.000 0.948 64 Q CB 0.388 29.048 28.738 -0.130 0.000 1.058 64 Q HN 0.351 nan 8.270 nan 0.000 0.493 65 V N 1.708 121.666 119.914 0.073 0.000 2.380 65 V HA 0.118 4.238 4.120 -0.000 0.000 0.286 65 V C 0.982 177.116 176.094 0.067 0.000 1.015 65 V CA -0.126 62.231 62.300 0.095 0.000 0.834 65 V CB 1.590 33.401 31.823 -0.020 0.000 1.009 65 V HN 0.193 nan 8.190 nan 0.000 0.428 66 S N 1.448 117.176 115.700 0.047 0.000 2.496 66 S HA 0.060 4.530 4.470 -0.000 0.000 0.224 66 S C 0.467 175.075 174.600 0.013 0.000 0.996 66 S CA 0.510 58.729 58.200 0.031 0.000 0.927 66 S CB 0.111 63.325 63.200 0.024 0.000 0.774 66 S HN 0.723 nan 8.310 nan 0.000 0.524 67 D N 0.458 120.840 120.400 -0.031 0.000 2.402 67 D HA 0.324 4.964 4.640 -0.000 0.000 0.252 67 D C -0.472 175.675 176.300 -0.256 0.000 1.294 67 D CA -0.440 53.508 54.000 -0.087 0.000 0.948 67 D CB 1.446 42.205 40.800 -0.069 0.000 1.202 67 D HN -0.218 nan 8.370 nan 0.000 0.561 68 D N 0.951 121.226 120.400 -0.208 0.000 2.158 68 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 68 D C 1.958 177.561 176.300 -1.162 0.000 0.995 68 D CA 1.571 55.329 54.000 -0.404 0.000 0.846 68 D CB 0.066 40.878 40.800 0.020 0.000 0.941 68 D HN 0.491 nan 8.370 nan 0.000 0.456 69 S N 0.098 115.241 115.700 -0.927 0.000 2.423 69 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 69 S C 2.075 176.316 174.600 -0.597 0.000 1.014 69 S CA 1.022 58.691 58.200 -0.886 0.000 0.965 69 S CB -0.173 62.911 63.200 -0.193 0.000 0.785 69 S HN 0.219 nan 8.310 nan 0.000 0.495 70 A N 1.338 123.829 122.820 -0.547 0.000 1.969 70 A HA 0.124 4.444 4.320 -0.000 0.000 0.218 70 A C 2.330 179.393 177.584 -0.868 0.000 1.169 70 A CA 1.404 53.172 52.037 -0.448 0.000 0.635 70 A CB -0.952 17.938 19.000 -0.183 0.000 0.810 70 A HN 0.484 nan 8.150 nan 0.000 0.445 71 V N 0.849 119.940 119.914 -1.373 0.000 2.343 71 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 71 V C 2.687 178.222 176.094 -0.931 0.000 1.051 71 V CA 2.277 63.467 62.300 -1.851 0.000 1.036 71 V CB -0.880 29.804 31.823 -1.898 0.000 0.654 71 V HN 0.776 nan 8.190 nan 0.000 0.451 72 S N -1.194 114.177 115.700 -0.548 0.000 2.593 72 S HA 0.113 4.583 4.470 -0.000 0.000 0.217 72 S C 0.617 175.162 174.600 -0.092 0.000 0.966 72 S CA -0.235 57.852 58.200 -0.188 0.000 0.914 72 S CB -0.436 62.773 63.200 0.014 0.000 0.776 72 S HN 0.589 nan 8.310 nan 0.000 0.523 73 K N 2.895 123.217 120.400 -0.130 0.000 2.339 73 K HA 0.291 4.611 4.320 -0.000 0.000 0.286 73 K C -2.823 173.787 176.600 0.015 0.000 1.050 73 K CA -1.976 54.299 56.287 -0.021 0.000 0.956 73 K CB 0.208 32.697 32.500 -0.019 0.000 0.990 73 K HN 0.133 nan 8.250 nan 0.000 0.475 74 P HA -0.106 nan 4.420 nan 0.000 0.262 74 P C 0.689 178.007 177.300 0.030 0.000 1.182 74 P CA 0.933 64.062 63.100 0.048 0.000 0.761 74 P CB 0.552 32.307 31.700 0.091 0.000 0.795 75 G N 2.553 111.360 108.800 0.011 0.000 2.194 75 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.236 75 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.236 75 G C 0.104 174.981 174.900 -0.039 0.000 0.987 75 G CA -0.505 44.582 45.100 -0.022 0.000 0.635 75 G HN 0.551 nan 8.290 nan 0.000 0.520 76 F N 4.825 124.671 119.950 -0.172 0.000 2.593 76 F HA 0.428 4.955 4.527 -0.000 0.000 0.393 76 F C -0.903 174.722 175.800 -0.291 0.000 1.037 76 F CA -1.251 56.606 58.000 -0.238 0.000 1.195 76 F CB 0.412 39.230 39.000 -0.303 0.000 1.034 76 F HN 0.088 nan 8.300 nan 0.000 0.552 77 P HA 0.107 nan 4.420 nan 0.000 0.271 77 P C -0.413 176.325 177.300 -0.937 0.000 1.216 77 P CA -0.210 62.471 63.100 -0.698 0.000 0.771 77 P CB 0.864 32.238 31.700 -0.544 0.000 0.864 78 T N -2.245 111.896 114.554 -0.689 0.000 3.355 78 T HA 0.170 4.520 4.350 -0.000 0.000 0.276 78 T C 0.404 174.876 174.700 -0.380 0.000 1.003 78 T CA -0.535 60.978 62.100 -0.979 0.000 0.943 78 T CB -0.667 67.610 68.868 -0.986 0.000 1.158 78 T HN 0.365 nan 8.240 nan 0.000 0.513 79 S N 0.789 116.365 115.700 -0.206 0.000 2.510 79 S HA 0.479 4.948 4.470 -0.000 0.000 0.279 79 S C 1.711 176.353 174.600 0.071 0.000 1.284 79 S CA 0.815 58.977 58.200 -0.063 0.000 1.059 79 S CB -0.246 62.897 63.200 -0.095 0.000 0.901 79 S HN 1.529 nan 8.310 nan 0.000 0.491 80 G N 3.631 112.443 108.800 0.019 0.000 2.176 80 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.253 80 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.253 80 G C -0.083 174.718 174.900 -0.166 0.000 0.979 80 G CA 0.086 45.143 45.100 -0.072 0.000 0.641 80 G HN 0.653 nan 8.290 nan 0.000 0.530 81 W N 0.366 121.502 121.300 -0.273 0.000 2.126 81 W HA 0.658 5.318 4.660 -0.000 0.000 0.346 81 W C 0.408 176.779 176.519 -0.248 0.000 1.279 81 W CA -0.554 56.656 57.345 -0.225 0.000 1.259 81 W CB 0.056 29.500 29.460 -0.027 0.000 1.133 81 W HN 0.118 nan 8.180 nan 0.000 0.592 82 Y N 3.319 123.789 120.300 0.283 0.000 2.367 82 Y HA 0.265 4.815 4.550 -0.000 0.000 0.342 82 Y C -1.628 174.389 175.900 0.195 0.000 0.979 82 Y CA -2.850 55.367 58.100 0.196 0.000 1.161 82 Y CB 0.119 38.680 38.460 0.168 0.000 1.155 82 Y HN -0.013 nan 8.280 nan 0.000 0.503 83 P HA 0.135 nan 4.420 nan 0.000 0.276 83 P C -0.740 176.687 177.300 0.211 0.000 1.235 83 P CA -0.013 63.221 63.100 0.224 0.000 0.772 83 P CB 1.437 33.230 31.700 0.155 0.000 0.871 84 V N 0.452 120.497 119.914 0.218 0.000 3.040 84 V HA 0.643 4.763 4.120 -0.000 0.000 0.312 84 V C -0.018 176.211 176.094 0.226 0.000 1.115 84 V CA -0.922 61.499 62.300 0.202 0.000 0.998 84 V CB 1.717 33.654 31.823 0.190 0.000 1.042 84 V HN 0.458 nan 8.190 nan 0.000 0.433 85 S N 1.459 117.281 115.700 0.202 0.000 2.624 85 S HA 0.376 4.846 4.470 -0.000 0.000 0.263 85 S C 0.481 175.265 174.600 0.307 0.000 1.287 85 S CA -0.003 58.322 58.200 0.209 0.000 0.990 85 S CB 1.083 64.390 63.200 0.179 0.000 0.950 85 S HN 1.231 nan 8.310 nan 0.000 0.561 86 S N 0.311 116.178 115.700 0.279 0.000 2.559 86 S HA 0.072 4.542 4.470 -0.000 0.000 0.282 86 S C 0.634 175.419 174.600 0.309 0.000 1.336 86 S CA 0.071 58.481 58.200 0.350 0.000 1.037 86 S CB -0.333 63.013 63.200 0.244 0.000 0.853 86 S HN 0.699 nan 8.310 nan 0.000 0.523 87 R N 0.371 121.035 120.500 0.274 0.000 3.776 87 R HA -0.115 4.225 4.340 -0.000 0.000 0.312 87 R C -0.728 175.705 176.300 0.222 0.000 1.181 87 R CA 0.698 56.922 56.100 0.206 0.000 0.836 87 R CB -2.596 27.839 30.300 0.225 0.000 1.324 87 R HN 0.438 nan 8.270 nan 0.000 0.501 88 S N 0.967 116.815 115.700 0.246 0.000 2.442 88 S HA 0.281 4.751 4.470 -0.000 0.000 0.297 88 S C 0.733 175.465 174.600 0.220 0.000 1.131 88 S CA -0.400 57.941 58.200 0.235 0.000 1.092 88 S CB 1.730 65.083 63.200 0.255 0.000 0.998 88 S HN 0.303 nan 8.310 nan 0.000 0.478 89 T N 0.302 114.950 114.554 0.157 0.000 2.802 89 T HA 0.213 4.563 4.350 -0.000 0.000 0.305 89 T C 1.548 176.288 174.700 0.066 0.000 1.053 89 T CA -0.751 61.413 62.100 0.108 0.000 1.058 89 T CB 0.353 69.283 68.868 0.103 0.000 0.988 89 T HN 0.196 nan 8.240 nan 0.000 0.539 90 V N 1.090 120.975 119.914 -0.048 0.000 2.287 90 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 90 V C 2.146 178.072 176.094 -0.280 0.000 1.053 90 V CA 2.019 64.160 62.300 -0.266 0.000 1.027 90 V CB -1.278 30.147 31.823 -0.663 0.000 0.646 90 V HN 0.926 nan 8.190 nan 0.000 0.447 91 Y N 1.316 121.337 120.300 -0.466 0.000 2.181 91 Y HA -0.174 4.376 4.550 -0.000 0.000 0.288 91 Y C 2.352 178.094 175.900 -0.264 0.000 1.146 91 Y CA 1.202 59.049 58.100 -0.421 0.000 1.164 91 Y CB -0.696 37.407 38.460 -0.596 0.000 0.982 91 Y HN 0.152 nan 8.280 nan 0.000 0.515 92 A N 0.080 122.752 122.820 -0.248 0.000 1.908 92 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 92 A C 2.545 180.031 177.584 -0.163 0.000 1.181 92 A CA 1.794 53.703 52.037 -0.215 0.000 0.627 92 A CB -1.692 17.325 19.000 0.028 0.000 0.818 92 A HN 0.573 nan 8.150 nan 0.000 0.445 93 G N -0.180 108.565 108.800 -0.091 0.000 2.440 93 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 93 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 93 G C 1.549 176.378 174.900 -0.118 0.000 1.154 93 G CA 1.087 46.155 45.100 -0.053 0.000 0.767 93 G HN 0.444 nan 8.290 nan 0.000 0.552 94 L N -0.171 120.928 121.223 -0.206 0.000 2.093 94 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 94 L C 2.904 179.665 176.870 -0.183 0.000 1.085 94 L CA 0.435 55.134 54.840 -0.235 0.000 0.755 94 L CB -0.357 41.667 42.059 -0.057 0.000 0.904 94 L HN 0.196 nan 8.230 nan 0.000 0.435 95 L N -0.835 120.218 121.223 -0.282 0.000 2.046 95 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 95 L C 2.674 179.454 176.870 -0.149 0.000 1.077 95 L CA 1.198 55.873 54.840 -0.275 0.000 0.747 95 L CB -0.538 41.227 42.059 -0.491 0.000 0.896 95 L HN 0.332 nan 8.230 nan 0.000 0.432 96 Q N -0.094 119.641 119.800 -0.109 0.000 2.248 96 Q HA -0.191 4.149 4.340 -0.000 0.000 0.208 96 Q C 1.201 177.200 176.000 -0.001 0.000 0.984 96 Q CA 1.108 56.892 55.803 -0.032 0.000 0.875 96 Q CB -0.091 28.654 28.738 0.013 0.000 0.910 96 Q HN 0.548 nan 8.270 nan 0.000 0.433 97 N N -1.525 117.173 118.700 -0.003 0.000 2.235 97 N HA 0.063 4.803 4.740 -0.000 0.000 0.209 97 N C 0.552 176.071 175.510 0.015 0.000 1.122 97 N CA 0.768 53.850 53.050 0.053 0.000 0.845 97 N CB 1.536 40.120 38.487 0.161 0.000 1.004 97 N HN 0.354 nan 8.380 nan 0.000 0.499 98 G N 0.892 109.671 108.800 -0.034 0.000 2.195 98 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.224 98 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.224 98 G C 1.077 175.923 174.900 -0.090 0.000 0.990 98 G CA -0.149 44.925 45.100 -0.042 0.000 0.639 98 G HN 0.185 nan 8.290 nan 0.000 0.514 99 K N -0.808 119.491 120.400 -0.170 0.000 2.335 99 K HA 0.355 4.675 4.320 -0.000 0.000 0.195 99 K C -0.160 176.049 176.600 -0.652 0.000 1.058 99 K CA 0.551 56.612 56.287 -0.376 0.000 0.988 99 K CB 0.399 32.628 32.500 -0.451 0.000 0.880 99 K HN 0.433 nan 8.250 nan 0.000 0.513 100 Y N -0.630 119.668 120.300 -0.003 0.000 2.581 100 Y HA 0.458 5.008 4.550 -0.000 0.000 0.345 100 Y C 0.004 175.920 175.900 0.026 0.000 1.036 100 Y CA -1.436 56.691 58.100 0.044 0.000 1.042 100 Y CB 1.240 39.774 38.460 0.124 0.000 1.289 100 Y HN -0.123 nan 8.280 nan 0.000 0.471 101 A N 0.503 123.473 122.820 0.250 0.000 2.386 101 A HA 0.169 4.489 4.320 -0.000 0.000 0.246 101 A C -0.205 177.486 177.584 0.179 0.000 1.089 101 A CA -0.195 51.946 52.037 0.174 0.000 0.790 101 A CB -0.065 19.048 19.000 0.188 0.000 1.042 101 A HN 0.716 nan 8.150 nan 0.000 0.497 102 D N 0.760 121.256 120.400 0.159 0.000 2.412 102 D HA 0.111 4.751 4.640 -0.000 0.000 0.257 102 D C -1.311 175.179 176.300 0.317 0.000 1.217 102 D CA -1.449 52.653 54.000 0.171 0.000 0.897 102 D CB 0.798 41.698 40.800 0.165 0.000 1.132 102 D HN 0.189 nan 8.370 nan 0.000 0.493 103 P HA -0.080 nan 4.420 nan 0.000 0.237 103 P C 1.088 178.902 177.300 0.856 0.000 1.178 103 P CA 0.262 63.703 63.100 0.569 0.000 0.766 103 P CB 0.064 32.104 31.700 0.567 0.000 0.876 104 F N -1.241 118.984 119.950 0.458 0.000 2.661 104 F HA 0.069 4.596 4.527 -0.000 0.000 0.298 104 F C 1.071 177.012 175.800 0.235 0.000 1.137 104 F CA -0.373 57.835 58.000 0.346 0.000 1.454 104 F CB -1.059 38.094 39.000 0.255 0.000 1.103 104 F HN -0.082 nan 8.300 nan 0.000 0.577 105 Y N 0.050 120.567 120.300 0.362 0.000 2.334 105 Y HA 0.454 5.004 4.550 -0.000 0.000 0.336 105 Y C 0.850 176.909 175.900 0.264 0.000 0.960 105 Y CA -0.392 57.823 58.100 0.192 0.000 1.164 105 Y CB 0.776 39.330 38.460 0.158 0.000 1.155 105 Y HN 0.048 nan 8.280 nan 0.000 0.478 106 S N 2.906 118.343 115.700 -0.439 0.000 3.938 106 S HA -0.322 4.148 4.470 -0.000 0.000 0.624 106 S C 0.927 175.614 174.600 0.144 0.000 2.186 106 S CA 2.228 60.231 58.200 -0.328 0.000 4.144 106 S CB -1.692 61.016 63.200 -0.820 0.000 0.230 106 S HN 1.336 nan 8.310 nan 0.000 0.755 107 T N -0.304 114.236 114.554 -0.024 0.000 3.223 107 T HA 0.383 4.733 4.350 -0.000 0.000 0.259 107 T C 1.060 175.746 174.700 -0.022 0.000 1.015 107 T CA 0.489 62.492 62.100 -0.161 0.000 0.908 107 T CB -0.306 68.357 68.868 -0.340 0.000 1.054 107 T HN 0.453 nan 8.240 nan 0.000 0.567 108 N N 1.971 120.767 118.700 0.159 0.000 2.094 108 N HA -0.105 4.635 4.740 -0.000 0.000 0.191 108 N C 1.574 177.192 175.510 0.180 0.000 1.023 108 N CA 1.441 54.613 53.050 0.203 0.000 0.857 108 N CB -0.395 38.275 38.487 0.305 0.000 1.013 108 N HN 0.469 nan 8.380 nan 0.000 0.426 109 M N 0.802 120.565 119.600 0.272 0.000 2.202 109 M HA -0.196 4.284 4.480 -0.000 0.000 0.262 109 M C 1.769 178.103 176.300 0.057 0.000 1.063 109 M CA 1.441 56.868 55.300 0.212 0.000 1.097 109 M CB -0.009 32.822 32.600 0.386 0.000 1.382 109 M HN 0.170 nan 8.290 nan 0.000 0.413 110 Q N -0.096 119.707 119.800 0.005 0.000 2.226 110 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 110 Q C 1.037 177.002 176.000 -0.058 0.000 0.975 110 Q CA 1.133 56.887 55.803 -0.082 0.000 0.866 110 Q CB -0.158 28.432 28.738 -0.245 0.000 0.915 110 Q HN 0.604 nan 8.270 nan 0.000 0.440 111 N N -0.281 118.402 118.700 -0.027 0.000 2.467 111 N HA -0.001 4.739 4.740 -0.000 0.000 0.184 111 N C -0.284 175.214 175.510 -0.019 0.000 1.106 111 N CA 0.240 53.291 53.050 0.002 0.000 0.892 111 N CB 0.380 38.900 38.487 0.056 0.000 0.969 111 N HN -0.034 nan 8.380 nan 0.000 0.454 112 V N 3.277 123.115 119.914 -0.127 0.000 2.455 112 V HA 0.173 4.293 4.120 -0.000 0.000 0.273 112 V C -1.962 174.036 176.094 -0.160 0.000 1.045 112 V CA -1.510 60.601 62.300 -0.315 0.000 0.976 112 V CB 0.638 32.126 31.823 -0.559 0.000 0.993 112 V HN -0.016 nan 8.190 nan 0.000 0.475 113 P HA 0.154 nan 4.420 nan 0.000 0.264 113 P C 0.433 177.678 177.300 -0.091 0.000 1.193 113 P CA 0.087 63.153 63.100 -0.057 0.000 0.763 113 P CB 0.970 32.659 31.700 -0.019 0.000 0.810 114 A N 3.919 126.717 122.820 -0.036 0.000 1.984 114 A HA 0.149 4.469 4.320 -0.000 0.000 0.214 114 A C 2.038 179.613 177.584 -0.014 0.000 1.173 114 A CA 1.134 53.194 52.037 0.038 0.000 0.673 114 A CB -1.082 17.947 19.000 0.049 0.000 0.830 114 A HN 0.499 nan 8.150 nan 0.000 0.453 115 A N 0.926 123.716 122.820 -0.049 0.000 1.978 115 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 115 A C 2.153 179.695 177.584 -0.069 0.000 1.170 115 A CA 1.782 53.799 52.037 -0.034 0.000 0.636 115 A CB -0.721 18.262 19.000 -0.028 0.000 0.810 115 A HN 0.791 nan 8.150 nan 0.000 0.448 116 Q N -1.716 117.957 119.800 -0.212 0.000 2.291 116 Q HA -0.111 4.229 4.340 -0.000 0.000 0.206 116 Q C 0.776 176.724 176.000 -0.086 0.000 0.976 116 Q CA 1.442 57.111 55.803 -0.224 0.000 0.875 116 Q CB -0.446 28.092 28.738 -0.334 0.000 0.927 116 Q HN 0.593 nan 8.270 nan 0.000 0.450 117 F N 1.305 121.367 119.950 0.187 0.000 2.693 117 F HA 0.225 4.752 4.527 -0.000 0.000 0.303 117 F C 1.670 177.533 175.800 0.106 0.000 1.097 117 F CA 0.073 58.155 58.000 0.136 0.000 1.330 117 F CB 0.341 39.316 39.000 -0.041 0.000 1.067 117 F HN 0.169 nan 8.300 nan 0.000 0.565 118 S N -0.551 115.263 115.700 0.190 0.000 2.593 118 S HA 0.253 4.723 4.470 -0.000 0.000 0.217 118 S C 0.391 175.055 174.600 0.106 0.000 0.966 118 S CA 0.188 58.463 58.200 0.125 0.000 0.914 118 S CB -1.011 62.233 63.200 0.073 0.000 0.776 118 S HN 0.065 nan 8.310 nan 0.000 0.523 119 V N -3.491 116.503 119.914 0.132 0.000 3.074 119 V HA 0.736 4.856 4.120 -0.000 0.000 0.314 119 V C -3.302 172.843 176.094 0.085 0.000 1.117 119 V CA -3.192 59.141 62.300 0.056 0.000 1.014 119 V CB 1.124 32.942 31.823 -0.009 0.000 1.057 119 V HN -0.128 nan 8.190 nan 0.000 0.438 120 P HA 0.186 nan 4.420 nan 0.000 0.268 120 P C -1.456 175.827 177.300 -0.028 0.000 1.208 120 P CA 0.398 63.374 63.100 -0.207 0.000 0.777 120 P CB 0.231 31.504 31.700 -0.711 0.000 0.875 121 W N 1.341 122.539 121.300 -0.169 0.000 2.666 121 W HA 0.410 5.070 4.660 -0.000 0.000 0.334 121 W C -0.879 175.617 176.519 -0.038 0.000 1.051 121 W CA 0.241 57.558 57.345 -0.046 0.000 1.224 121 W CB 0.808 30.337 29.460 0.114 0.000 1.405 121 W HN 0.393 nan 8.180 nan 0.000 0.513 122 W N 2.544 123.969 121.300 0.208 0.000 2.315 122 W HA 0.393 5.053 4.660 -0.000 0.000 0.316 122 W C -0.735 176.034 176.519 0.417 0.000 1.211 122 W CA -0.493 57.031 57.345 0.298 0.000 1.201 122 W CB 0.455 30.048 29.460 0.223 0.000 1.184 122 W HN 0.128 nan 8.180 nan 0.000 0.544 123 Y N 3.234 123.866 120.300 0.553 0.000 2.334 123 Y HA 0.447 4.997 4.550 -0.000 0.000 0.336 123 Y C 0.365 176.630 175.900 0.609 0.000 0.960 123 Y CA -1.089 57.266 58.100 0.426 0.000 1.164 123 Y CB 1.259 39.684 38.460 -0.057 0.000 1.155 123 Y HN 0.249 nan 8.280 nan 0.000 0.478 124 R N 1.972 122.919 120.500 0.744 0.000 2.686 124 R HA 0.688 5.028 4.340 -0.000 0.000 0.286 124 R C -1.444 175.151 176.300 0.491 0.000 0.969 124 R CA -0.412 56.026 56.100 0.564 0.000 0.898 124 R CB 2.247 32.748 30.300 0.335 0.000 1.183 124 R HN 0.677 nan 8.270 nan 0.000 0.456 125 T N 1.259 116.021 114.554 0.346 0.000 2.894 125 T HA 0.298 4.648 4.350 -0.000 0.000 0.309 125 T C -1.513 173.253 174.700 0.110 0.000 1.208 125 T CA -0.734 61.477 62.100 0.185 0.000 1.016 125 T CB 1.433 70.362 68.868 0.103 0.000 1.192 125 T HN 0.537 nan 8.240 nan 0.000 0.491 126 D N 1.890 122.326 120.400 0.059 0.000 2.340 126 D HA 0.636 5.275 4.640 -0.000 0.000 0.251 126 D C -0.347 175.976 176.300 0.038 0.000 1.080 126 D CA -0.122 53.902 54.000 0.040 0.000 0.971 126 D CB 1.208 42.023 40.800 0.025 0.000 1.137 126 D HN 0.421 nan 8.370 nan 0.000 0.475 127 L N 0.952 122.193 121.223 0.030 0.000 2.455 127 L HA 0.365 4.705 4.340 -0.000 0.000 0.264 127 L C -0.494 176.388 176.870 0.020 0.000 0.968 127 L CA -0.848 54.008 54.840 0.027 0.000 0.827 127 L CB 1.897 43.973 42.059 0.028 0.000 1.317 127 L HN 0.090 nan 8.230 nan 0.000 0.407 128 N N 1.324 120.039 118.700 0.026 0.000 2.426 128 N HA 0.494 5.234 4.740 -0.000 0.000 0.275 128 N C -1.105 174.422 175.510 0.028 0.000 1.019 128 N CA -0.474 52.593 53.050 0.029 0.000 0.941 128 N CB 2.240 40.745 38.487 0.031 0.000 1.123 128 N HN 0.191 nan 8.380 nan 0.000 0.486 129 V N 2.566 122.497 119.914 0.028 0.000 2.325 129 V HA 0.076 4.195 4.120 -0.000 0.000 0.280 129 V C 0.502 176.621 176.094 0.041 0.000 1.016 129 V CA -0.617 61.699 62.300 0.027 0.000 0.818 129 V CB 1.246 33.072 31.823 0.005 0.000 1.019 129 V HN 0.721 nan 8.190 nan 0.000 0.434 130 D N 2.583 123.007 120.400 0.039 0.000 2.157 130 D HA -0.154 4.486 4.640 -0.000 0.000 0.191 130 D C 0.642 176.966 176.300 0.040 0.000 1.004 130 D CA 2.142 56.165 54.000 0.039 0.000 0.854 130 D CB 0.337 41.159 40.800 0.036 0.000 0.936 130 D HN 0.737 nan 8.370 nan 0.000 0.446 131 D N -2.272 118.152 120.400 0.040 0.000 2.804 131 D HA 0.025 4.665 4.640 -0.000 0.000 0.209 131 D C 0.019 176.342 176.300 0.037 0.000 1.314 131 D CA -0.227 53.796 54.000 0.038 0.000 0.894 131 D CB 1.016 41.837 40.800 0.036 0.000 1.615 131 D HN -0.089 nan 8.370 nan 0.000 0.571 132 T N 0.070 114.647 114.554 0.037 0.000 3.188 132 T HA 0.111 4.461 4.350 -0.000 0.000 0.250 132 T C 1.380 176.098 174.700 0.030 0.000 1.077 132 T CA 0.265 62.384 62.100 0.031 0.000 0.967 132 T CB -0.047 68.842 68.868 0.035 0.000 1.006 132 T HN 0.151 nan 8.240 nan 0.000 0.552 133 S N 1.650 117.371 115.700 0.034 0.000 2.370 133 S HA -0.023 4.447 4.470 -0.000 0.000 0.226 133 S C 1.236 175.860 174.600 0.041 0.000 1.033 133 S CA 0.539 58.760 58.200 0.035 0.000 1.011 133 S CB -0.220 63.001 63.200 0.035 0.000 0.852 133 S HN 0.596 nan 8.310 nan 0.000 0.457 134 S N 1.159 116.888 115.700 0.048 0.000 2.584 134 S HA 0.321 4.791 4.470 -0.000 0.000 0.273 134 S C 0.430 175.065 174.600 0.058 0.000 1.311 134 S CA -0.592 57.647 58.200 0.065 0.000 1.034 134 S CB 0.678 63.924 63.200 0.077 0.000 0.939 134 S HN 0.296 nan 8.310 nan 0.000 0.513 135 R N 1.045 121.596 120.500 0.085 0.000 2.774 135 R HA 0.300 4.640 4.340 -0.000 0.000 0.269 135 R C -0.368 175.944 176.300 0.019 0.000 1.068 135 R CA 0.163 56.282 56.100 0.031 0.000 1.180 135 R CB 0.231 30.601 30.300 0.116 0.000 1.077 135 R HN 0.482 nan 8.270 nan 0.000 0.513 136 T N 1.792 116.213 114.554 -0.221 0.000 2.928 136 T HA 0.432 4.782 4.350 -0.000 0.000 0.296 136 T C -1.284 173.214 174.700 -0.337 0.000 1.000 136 T CA -0.663 61.371 62.100 -0.110 0.000 0.989 136 T CB 0.688 69.527 68.868 -0.049 0.000 1.005 136 T HN 0.351 nan 8.240 nan 0.000 0.442 137 Y N 1.194 121.544 120.300 0.083 0.000 2.536 137 Y HA 0.669 5.219 4.550 -0.000 0.000 0.347 137 Y C -0.266 175.727 175.900 0.155 0.000 1.000 137 Y CA -1.444 56.720 58.100 0.107 0.000 1.051 137 Y CB 1.522 40.040 38.460 0.097 0.000 1.259 137 Y HN 0.388 nan 8.280 nan 0.000 0.468 138 L N 2.487 123.923 121.223 0.355 0.000 2.295 138 L HA 0.451 4.791 4.340 -0.000 0.000 0.285 138 L C -1.000 176.153 176.870 0.471 0.000 1.035 138 L CA -0.509 54.591 54.840 0.434 0.000 0.806 138 L CB 1.251 43.617 42.059 0.511 0.000 1.214 138 L HN 0.583 nan 8.230 nan 0.000 0.426 139 D N 4.029 124.693 120.400 0.440 0.000 2.549 139 D HA 0.581 5.221 4.640 -0.000 0.000 0.251 139 D C -1.196 175.334 176.300 0.385 0.000 1.153 139 D CA -0.155 54.016 54.000 0.285 0.000 0.861 139 D CB 1.168 42.078 40.800 0.182 0.000 1.207 139 D HN 0.255 nan 8.370 nan 0.000 0.543 140 F N 0.795 120.860 119.950 0.192 0.000 2.741 140 F HA 0.725 5.252 4.527 -0.000 0.000 0.311 140 F C -1.085 174.813 175.800 0.163 0.000 1.149 140 F CA -0.888 57.210 58.000 0.163 0.000 0.930 140 F CB 0.831 39.934 39.000 0.171 0.000 1.312 140 F HN 0.213 nan 8.300 nan 0.000 0.450 141 S N -0.699 115.164 115.700 0.272 0.000 2.776 141 S HA 0.778 5.248 4.470 -0.000 0.000 0.292 141 S C 0.184 174.893 174.600 0.183 0.000 1.187 141 S CA -0.507 57.806 58.200 0.187 0.000 0.834 141 S CB 0.940 64.187 63.200 0.078 0.000 1.199 141 S HN 2.653 nan 8.310 nan 0.000 0.514 142 G N -0.571 108.274 108.800 0.074 0.000 2.132 142 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.228 142 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.228 142 G C 0.028 174.891 174.900 -0.063 0.000 1.000 142 G CA 0.019 45.102 45.100 -0.028 0.000 0.693 142 G HN 1.870 nan 8.290 nan 0.000 0.515 143 V N 1.633 121.543 119.914 -0.007 0.000 2.385 143 V HA 0.729 4.849 4.120 -0.000 0.000 0.269 143 V C 0.274 176.320 176.094 -0.079 0.000 1.043 143 V CA -0.924 61.334 62.300 -0.070 0.000 0.906 143 V CB 0.888 32.681 31.823 -0.050 0.000 0.995 143 V HN 0.294 nan 8.190 nan 0.000 0.467 144 L N 6.793 127.948 121.223 -0.113 0.000 2.305 144 L HA 0.469 4.809 4.340 -0.000 0.000 0.284 144 L C 1.109 177.948 176.870 -0.052 0.000 1.013 144 L CA -0.226 54.561 54.840 -0.089 0.000 0.819 144 L CB 1.817 43.820 42.059 -0.093 0.000 1.227 144 L HN 0.866 nan 8.230 nan 0.000 0.417 145 S N 1.848 117.538 115.700 -0.017 0.000 2.503 145 S HA 0.111 4.581 4.470 -0.000 0.000 0.217 145 S C 0.343 174.912 174.600 -0.052 0.000 0.999 145 S CA -0.101 58.069 58.200 -0.051 0.000 0.914 145 S CB 0.215 63.384 63.200 -0.053 0.000 0.782 145 S HN 0.785 nan 8.310 nan 0.000 0.520 146 K N -0.766 119.631 120.400 -0.006 0.000 2.736 146 K HA 0.687 5.007 4.320 -0.000 0.000 0.290 146 K C -1.985 174.667 176.600 0.086 0.000 1.033 146 K CA -0.891 55.380 56.287 -0.027 0.000 0.852 146 K CB 0.785 33.192 32.500 -0.155 0.000 1.494 146 K HN 0.235 nan 8.250 nan 0.000 0.378 147 A N 1.285 124.152 122.820 0.080 0.000 2.547 147 A HA 0.502 4.822 4.320 -0.000 0.000 0.297 147 A C -1.750 175.921 177.584 0.144 0.000 1.056 147 A CA -0.875 51.288 52.037 0.210 0.000 0.688 147 A CB 1.386 20.528 19.000 0.238 0.000 1.282 147 A HN 0.677 nan 8.150 nan 0.000 0.400 148 D N 0.989 121.523 120.400 0.224 0.000 2.302 148 D HA 0.445 5.085 4.640 -0.000 0.000 0.248 148 D C -0.403 175.950 176.300 0.088 0.000 1.094 148 D CA 0.255 54.324 54.000 0.115 0.000 0.897 148 D CB 1.780 42.721 40.800 0.236 0.000 1.200 148 D HN 0.203 nan 8.370 nan 0.000 0.429 149 V N 2.245 122.096 119.914 -0.105 0.000 2.444 149 V HA 0.360 4.480 4.120 -0.000 0.000 0.294 149 V C -0.805 175.138 176.094 -0.251 0.000 1.022 149 V CA -0.874 61.290 62.300 -0.227 0.000 0.850 149 V CB 1.237 32.898 31.823 -0.270 0.000 0.992 149 V HN 0.463 nan 8.190 nan 0.000 0.426 150 W N 2.968 124.188 121.300 -0.133 0.000 2.736 150 W HA 0.790 5.449 4.660 -0.000 0.000 0.335 150 W C -0.793 175.670 176.519 -0.094 0.000 1.059 150 W CA -0.737 56.581 57.345 -0.045 0.000 1.226 150 W CB 2.198 31.693 29.460 0.058 0.000 1.416 150 W HN 0.303 nan 8.180 nan 0.000 0.505 151 V N 4.266 124.274 119.914 0.157 0.000 2.524 151 V HA 0.232 4.352 4.120 -0.000 0.000 0.297 151 V C -0.332 175.818 176.094 0.093 0.000 1.035 151 V CA -1.306 61.035 62.300 0.069 0.000 0.867 151 V CB 1.423 33.245 31.823 -0.000 0.000 1.004 151 V HN 0.720 nan 8.190 nan 0.000 0.426 152 N N 3.755 122.501 118.700 0.077 0.000 2.735 152 N HA -0.201 4.539 4.740 -0.000 0.000 0.248 152 N C 1.165 176.747 175.510 0.120 0.000 1.083 152 N CA 1.779 54.882 53.050 0.088 0.000 0.703 152 N CB -1.116 37.419 38.487 0.080 0.000 1.005 152 N HN 1.643 nan 8.380 nan 0.000 0.550 153 G N -2.646 106.246 108.800 0.153 0.000 2.179 153 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 153 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 153 G C 0.133 175.276 174.900 0.405 0.000 0.977 153 G CA 0.755 45.980 45.100 0.210 0.000 0.641 153 G HN 0.547 nan 8.290 nan 0.000 0.533 154 T N 0.720 115.468 114.554 0.324 0.000 2.797 154 T HA 0.500 4.850 4.350 -0.000 0.000 0.279 154 T C 0.073 174.709 174.700 -0.106 0.000 0.991 154 T CA -0.489 61.696 62.100 0.143 0.000 0.979 154 T CB 1.886 70.776 68.868 0.037 0.000 0.943 154 T HN 0.284 nan 8.240 nan 0.000 0.444 155 K N 3.496 123.499 120.400 -0.662 0.000 2.262 155 K HA 0.205 4.524 4.320 -0.000 0.000 0.288 155 K C 1.282 177.569 176.600 -0.521 0.000 1.090 155 K CA -0.272 55.313 56.287 -1.170 0.000 0.918 155 K CB 0.188 31.732 32.500 -1.593 0.000 1.139 155 K HN 0.531 nan 8.250 nan 0.000 0.462 156 V N 1.128 120.824 119.914 -0.363 0.000 3.235 156 V HA 0.296 4.416 4.120 -0.000 0.000 0.259 156 V C 0.384 176.384 176.094 -0.156 0.000 1.133 156 V CA 0.696 62.881 62.300 -0.191 0.000 1.128 156 V CB -0.238 31.520 31.823 -0.109 0.000 0.757 156 V HN 0.590 nan 8.190 nan 0.000 0.469 157 A N 0.206 122.904 122.820 -0.203 0.000 2.604 157 A HA 0.723 5.043 4.320 -0.000 0.000 0.295 157 A C -0.195 177.289 177.584 -0.167 0.000 1.067 157 A CA 0.102 52.057 52.037 -0.135 0.000 0.683 157 A CB 1.233 20.203 19.000 -0.051 0.000 1.281 157 A HN 0.667 nan 8.150 nan 0.000 0.407 158 T N -1.559 112.919 114.554 -0.127 0.000 2.952 158 T HA 0.478 4.828 4.350 -0.000 0.000 0.286 158 T C 0.857 175.491 174.700 -0.111 0.000 1.024 158 T CA -0.034 61.998 62.100 -0.113 0.000 1.029 158 T CB 1.286 70.091 68.868 -0.106 0.000 1.094 158 T HN 0.899 nan 8.240 nan 0.000 0.515 159 K N 0.306 120.619 120.400 -0.145 0.000 2.442 159 K HA -0.109 4.211 4.320 -0.000 0.000 0.199 159 K C 0.914 177.385 176.600 -0.215 0.000 1.044 159 K CA 1.387 57.531 56.287 -0.238 0.000 0.941 159 K CB -0.229 31.921 32.500 -0.584 0.000 0.759 159 K HN 0.488 nan 8.250 nan 0.000 0.472 160 D N 1.046 121.346 120.400 -0.168 0.000 2.224 160 D HA -0.149 4.491 4.640 -0.000 0.000 0.205 160 D C 1.911 178.153 176.300 -0.097 0.000 0.965 160 D CA 1.064 54.983 54.000 -0.134 0.000 0.852 160 D CB 0.139 40.874 40.800 -0.109 0.000 0.947 160 D HN 0.540 nan 8.370 nan 0.000 0.494 161 Q N 0.388 120.138 119.800 -0.083 0.000 2.107 161 Q HA -0.004 4.336 4.340 -0.000 0.000 0.195 161 Q C 0.329 176.304 176.000 -0.042 0.000 0.964 161 Q CA 0.455 56.234 55.803 -0.040 0.000 0.833 161 Q CB 0.633 29.351 28.738 -0.034 0.000 0.910 161 Q HN -0.073 nan 8.270 nan 0.000 0.465 162 V N 3.220 123.038 119.914 -0.159 0.000 2.313 162 V HA 0.248 4.368 4.120 -0.000 0.000 0.252 162 V C -0.476 175.553 176.094 -0.108 0.000 1.112 162 V CA -0.290 61.804 62.300 -0.343 0.000 0.984 162 V CB 0.127 31.799 31.823 -0.252 0.000 1.157 162 V HN 0.294 nan 8.190 nan 0.000 0.493 163 N N 3.467 122.165 118.700 -0.003 0.000 2.493 163 N HA 0.534 5.274 4.740 -0.000 0.000 0.279 163 N C -0.596 174.908 175.510 -0.011 0.000 1.082 163 N CA 0.572 53.596 53.050 -0.043 0.000 0.963 163 N CB 2.239 40.663 38.487 -0.105 0.000 1.627 163 N HN 0.812 nan 8.380 nan 0.000 0.499 164 G N 1.533 110.301 108.800 -0.054 0.000 3.225 164 G HA2 0.206 4.166 3.960 -0.000 0.000 0.686 164 G HA3 0.206 4.166 3.960 -0.000 0.000 0.686 164 G C 0.699 175.598 174.900 -0.002 0.000 1.105 164 G CA 0.010 45.081 45.100 -0.048 0.000 0.831 164 G HN 0.902 nan 8.290 nan 0.000 0.578 165 A N 1.758 124.523 122.820 -0.092 0.000 1.978 165 A HA 0.070 4.390 4.320 -0.000 0.000 0.220 165 A C 1.738 179.168 177.584 -0.256 0.000 1.170 165 A CA 2.407 54.290 52.037 -0.257 0.000 0.636 165 A CB -0.290 18.398 19.000 -0.520 0.000 0.810 165 A HN 1.149 nan 8.150 nan 0.000 0.448 166 Y N 0.537 120.924 120.300 0.146 0.000 2.462 166 Y HA 0.093 4.643 4.550 -0.000 0.000 0.261 166 Y C 1.273 177.222 175.900 0.082 0.000 1.146 166 Y CA 0.322 58.508 58.100 0.144 0.000 1.283 166 Y CB -0.047 38.559 38.460 0.244 0.000 1.090 166 Y HN 0.272 nan 8.280 nan 0.000 0.526 167 T N -0.044 114.611 114.554 0.168 0.000 2.834 167 T HA 0.142 4.492 4.350 -0.000 0.000 0.298 167 T C -0.042 174.513 174.700 -0.240 0.000 0.966 167 T CA -0.790 61.303 62.100 -0.011 0.000 1.141 167 T CB 1.272 70.144 68.868 0.006 0.000 0.905 167 T HN 0.211 nan 8.240 nan 0.000 0.535 168 R N 2.467 122.768 120.500 -0.331 0.000 2.357 168 R HA 0.245 4.585 4.340 -0.000 0.000 0.296 168 R C -0.530 175.257 176.300 -0.856 0.000 1.052 168 R CA -0.641 55.207 56.100 -0.421 0.000 0.988 168 R CB 0.434 30.640 30.300 -0.157 0.000 1.025 168 R HN 0.774 nan 8.270 nan 0.000 0.469 169 H N 2.161 120.975 119.070 -0.426 0.000 2.538 169 H HA 0.176 4.732 4.556 -0.000 0.000 0.353 169 H C -1.085 174.064 175.328 -0.298 0.000 1.109 169 H CA -0.766 55.004 56.048 -0.463 0.000 1.192 169 H CB 2.179 31.444 29.762 -0.829 0.000 1.555 169 H HN 0.555 nan 8.280 nan 0.000 0.518 170 D N 3.898 124.294 120.400 -0.007 0.000 2.412 170 D HA 0.200 4.840 4.640 -0.000 0.000 0.276 170 D C -0.776 175.636 176.300 0.187 0.000 1.196 170 D CA -0.408 53.646 54.000 0.089 0.000 0.905 170 D CB 0.003 40.828 40.800 0.042 0.000 1.081 170 D HN 0.361 nan 8.370 nan 0.000 0.502 171 L N 2.174 123.543 121.223 0.245 0.000 2.255 171 L HA 0.333 4.673 4.340 -0.000 0.000 0.289 171 L C 0.393 177.378 176.870 0.192 0.000 1.046 171 L CA -0.810 54.159 54.840 0.215 0.000 0.816 171 L CB 1.149 43.348 42.059 0.233 0.000 1.197 171 L HN 0.211 nan 8.230 nan 0.000 0.427 172 D N 4.953 125.420 120.400 0.110 0.000 2.338 172 D HA 0.131 4.770 4.640 -0.000 0.000 0.255 172 D C 0.683 176.880 176.300 -0.171 0.000 1.237 172 D CA -0.105 53.786 54.000 -0.181 0.000 0.883 172 D CB 1.006 41.735 40.800 -0.118 0.000 1.087 172 D HN 0.543 nan 8.370 nan 0.000 0.485 173 I N 0.602 121.041 120.570 -0.218 0.000 3.927 173 I HA 0.125 4.295 4.170 -0.000 0.000 0.332 173 I C 1.158 177.192 176.117 -0.138 0.000 1.485 173 I CA -0.510 60.717 61.300 -0.122 0.000 1.131 173 I CB 0.265 38.232 38.000 -0.055 0.000 1.092 173 I HN 0.008 nan 8.210 nan 0.000 0.410 174 T N 1.892 116.321 114.554 -0.208 0.000 2.665 174 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 174 T C 2.157 176.810 174.700 -0.078 0.000 1.035 174 T CA 2.196 64.206 62.100 -0.150 0.000 1.151 174 T CB -0.200 68.566 68.868 -0.169 0.000 0.862 174 T HN 0.638 nan 8.240 nan 0.000 0.438 175 A N 0.803 123.582 122.820 -0.068 0.000 2.024 175 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 175 A C 2.222 179.797 177.584 -0.015 0.000 1.164 175 A CA 1.558 53.576 52.037 -0.032 0.000 0.643 175 A CB -0.460 18.522 19.000 -0.029 0.000 0.806 175 A HN 0.441 nan 8.150 nan 0.000 0.451 176 Q N -1.205 118.578 119.800 -0.028 0.000 2.391 176 Q HA 0.238 4.577 4.340 -0.000 0.000 0.211 176 Q C 0.285 176.265 176.000 -0.033 0.000 0.908 176 Q CA 0.224 56.020 55.803 -0.011 0.000 0.920 176 Q CB 0.201 28.928 28.738 -0.018 0.000 1.056 176 Q HN 0.357 nan 8.270 nan 0.000 0.523 177 V N 3.050 122.923 119.914 -0.067 0.000 2.583 177 V HA 0.150 4.270 4.120 -0.000 0.000 0.287 177 V C 0.173 176.225 176.094 -0.069 0.000 1.051 177 V CA -0.277 61.943 62.300 -0.133 0.000 1.010 177 V CB 0.490 32.250 31.823 -0.104 0.000 0.988 177 V HN 0.416 nan 8.190 nan 0.000 0.478 178 H N 1.516 120.591 119.070 0.009 0.000 2.869 178 H HA 0.742 5.298 4.556 -0.000 0.000 0.342 178 H C -0.062 175.274 175.328 0.013 0.000 1.250 178 H CA -0.540 55.514 56.048 0.010 0.000 1.217 178 H CB 1.706 31.473 29.762 0.009 0.000 1.917 178 H HN 0.614 nan 8.280 nan 0.000 0.586 179 T N -0.631 114.078 114.554 0.258 0.000 2.899 179 T HA 0.490 4.840 4.350 -0.000 0.000 0.295 179 T C 1.051 175.895 174.700 0.241 0.000 1.033 179 T CA 0.757 62.961 62.100 0.174 0.000 1.084 179 T CB -0.165 nan 68.868 nan 0.000 0.979 179 T HN 1.139 nan 8.240 nan 0.000 0.532 180 G N -0.146 108.737 108.800 0.138 0.000 2.527 180 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.227 180 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.227 180 G C -0.139 174.833 174.900 0.121 0.000 1.291 180 G CA -0.212 44.961 45.100 0.122 0.000 0.904 180 G HN 1.456 nan 8.290 nan 0.000 0.577 181 V N 2.923 122.912 119.914 0.126 0.000 2.446 181 V HA 0.291 4.411 4.120 -0.000 0.000 0.276 181 V C 0.736 176.903 176.094 0.122 0.000 1.030 181 V CA 0.041 62.398 62.300 0.095 0.000 1.033 181 V CB 0.481 32.350 31.823 0.076 0.000 0.993 181 V HN 0.603 nan 8.190 nan 0.000 0.477 182 N N 2.874 121.576 118.700 0.003 0.000 2.432 182 N HA 0.589 5.329 4.740 -0.000 0.000 0.292 182 N C -0.812 174.693 175.510 -0.009 0.000 1.193 182 N CA -0.579 52.420 53.050 -0.086 0.000 0.878 182 N CB 2.138 40.497 38.487 -0.214 0.000 1.252 182 N HN 0.579 nan 8.380 nan 0.000 0.520 183 S N 0.352 116.051 115.700 -0.002 0.000 2.542 183 S HA 0.558 5.028 4.470 -0.000 0.000 0.293 183 S C -0.588 174.034 174.600 0.036 0.000 1.089 183 S CA -0.689 57.526 58.200 0.025 0.000 0.961 183 S CB 2.116 65.325 63.200 0.014 0.000 1.062 183 S HN 0.245 nan 8.310 nan 0.000 0.483 184 V N 1.389 121.350 119.914 0.079 0.000 2.656 184 V HA 0.910 5.030 4.120 -0.000 0.000 0.307 184 V C -0.379 175.807 176.094 0.154 0.000 1.051 184 V CA -0.598 61.749 62.300 0.080 0.000 0.893 184 V CB 1.536 33.415 31.823 0.092 0.000 0.999 184 V HN 1.050 nan 8.190 nan 0.000 0.426 185 A N 3.972 126.870 122.820 0.130 0.000 2.422 185 A HA 0.892 5.212 4.320 -0.000 0.000 0.302 185 A C -1.345 176.411 177.584 0.287 0.000 1.041 185 A CA -0.398 51.838 52.037 0.331 0.000 0.708 185 A CB 1.091 20.286 19.000 0.324 0.000 1.257 185 A HN 0.607 nan 8.150 nan 0.000 0.414 186 F N 1.553 121.753 119.950 0.417 0.000 2.415 186 F HA 0.441 4.968 4.527 -0.000 0.000 0.348 186 F C 0.807 176.664 175.800 0.094 0.000 1.119 186 F CA -0.183 57.941 58.000 0.205 0.000 1.069 186 F CB 1.905 40.888 39.000 -0.028 0.000 1.124 186 F HN 0.525 nan 8.300 nan 0.000 0.472 187 K N 4.201 124.555 120.400 -0.077 0.000 2.266 187 K HA 0.455 4.775 4.320 -0.000 0.000 0.274 187 K C -1.290 175.156 176.600 -0.256 0.000 1.090 187 K CA -0.291 55.550 56.287 -0.744 0.000 0.925 187 K CB 0.612 32.424 32.500 -1.146 0.000 1.225 187 K HN 0.481 nan 8.250 nan 0.000 0.458 188 V N 5.688 125.507 119.914 -0.159 0.000 2.407 188 V HA 0.216 4.336 4.120 -0.000 0.000 0.278 188 V C -0.385 175.685 176.094 -0.040 0.000 1.037 188 V CA -0.725 61.572 62.300 -0.006 0.000 0.900 188 V CB 0.359 32.150 31.823 -0.053 0.000 0.983 188 V HN 0.562 nan 8.190 nan 0.000 0.459 189 Y N 5.200 125.480 120.300 -0.033 0.000 2.301 189 Y HA 0.341 4.891 4.550 -0.000 0.000 0.325 189 Y C -1.812 174.094 175.900 0.010 0.000 1.203 189 Y CA -2.174 55.920 58.100 -0.011 0.000 1.255 189 Y CB 0.885 39.325 38.460 -0.034 0.000 1.232 189 Y HN 0.473 nan 8.280 nan 0.000 0.501 190 P HA -0.106 nan 4.420 nan 0.000 0.266 190 P C -0.981 176.364 177.300 0.075 0.000 1.193 190 P CA 0.265 63.434 63.100 0.116 0.000 0.770 190 P CB 0.460 32.232 31.700 0.121 0.000 0.836 191 N N 1.834 120.554 118.700 0.033 0.000 2.400 191 N HA 0.311 5.051 4.740 -0.000 0.000 0.288 191 N C -1.523 173.980 175.510 -0.010 0.000 1.024 191 N CA -0.344 52.704 53.050 -0.005 0.000 0.894 191 N CB 0.559 39.032 38.487 -0.024 0.000 1.173 191 N HN 0.169 nan 8.380 nan 0.000 0.487 192 D N 3.898 124.278 120.400 -0.034 0.000 2.476 192 D HA 0.324 4.964 4.640 -0.000 0.000 0.251 192 D C -2.091 174.169 176.300 -0.067 0.000 1.291 192 D CA -2.010 51.968 54.000 -0.036 0.000 0.939 192 D CB 1.932 42.713 40.800 -0.032 0.000 1.221 192 D HN 0.344 nan 8.370 nan 0.000 0.567 193 P HA -0.077 nan 4.420 nan 0.000 0.225 193 P C 0.462 177.715 177.300 -0.078 0.000 1.148 193 P CA 0.806 63.858 63.100 -0.079 0.000 0.779 193 P CB 0.371 32.023 31.700 -0.079 0.000 0.780 194 N N -0.450 118.212 118.700 -0.062 0.000 2.409 194 N HA -0.034 4.706 4.740 -0.000 0.000 0.179 194 N C 2.081 177.537 175.510 -0.091 0.000 1.032 194 N CA 0.190 53.206 53.050 -0.056 0.000 0.898 194 N CB -0.127 38.342 38.487 -0.030 0.000 0.971 194 N HN 0.111 nan 8.380 nan 0.000 0.441 195 R N 0.411 120.841 120.500 -0.115 0.000 2.195 195 R HA 0.092 4.432 4.340 -0.000 0.000 0.197 195 R C -0.718 175.440 176.300 -0.236 0.000 0.990 195 R CA 0.487 56.498 56.100 -0.148 0.000 1.048 195 R CB 0.567 30.802 30.300 -0.108 0.000 0.997 195 R HN 0.057 nan 8.270 nan 0.000 0.502 196 D N 1.118 121.375 120.400 -0.239 0.000 2.185 196 D HA 0.187 4.827 4.640 -0.000 0.000 0.247 196 D C -0.628 175.415 176.300 -0.429 0.000 1.027 196 D CA -0.440 53.380 54.000 -0.300 0.000 0.861 196 D CB 2.172 42.855 40.800 -0.196 0.000 1.202 196 D HN 0.081 nan 8.370 nan 0.000 0.453 197 L N 1.959 122.817 121.223 -0.610 0.000 2.415 197 L HA 0.138 4.478 4.340 -0.000 0.000 0.269 197 L C 0.950 177.655 176.870 -0.276 0.000 1.244 197 L CA 0.290 54.556 54.840 -0.957 0.000 1.113 197 L CB -0.177 41.064 42.059 -1.364 0.000 1.352 197 L HN 0.219 nan 8.230 nan 0.000 0.433 198 S N 1.986 117.687 115.700 0.003 0.000 4.344 198 S HA 0.681 5.151 4.470 -0.000 0.000 0.236 198 S C -0.687 173.980 174.600 0.112 0.000 1.105 198 S CA -0.550 57.659 58.200 0.015 0.000 1.634 198 S CB 1.022 64.163 63.200 -0.099 0.000 1.220 198 S HN 0.385 nan 8.310 nan 0.000 0.740 199 M N 0.793 120.318 119.600 -0.125 0.000 2.386 199 M HA 0.600 5.080 4.480 -0.000 0.000 0.293 199 M C -0.382 175.679 176.300 -0.397 0.000 1.120 199 M CA -0.612 54.466 55.300 -0.369 0.000 0.909 199 M CB 2.191 34.483 32.600 -0.513 0.000 1.661 199 M HN 0.729 nan 8.290 nan 0.000 0.452 200 G N 0.456 108.948 108.800 -0.514 0.000 2.733 200 G HA2 0.614 4.574 3.960 -0.000 0.000 0.288 200 G HA3 0.614 4.574 3.960 -0.000 0.000 0.288 200 G C -1.571 172.958 174.900 -0.618 0.000 1.373 200 G CA -0.483 44.362 45.100 -0.424 0.000 0.895 200 G HN 0.931 nan 8.290 nan 0.000 0.479 201 W N 0.467 121.671 121.300 -0.160 0.000 3.123 201 W HA 0.404 5.064 4.660 -0.000 0.000 0.383 201 W C 1.381 177.622 176.519 -0.464 0.000 1.102 201 W CA -0.349 56.808 57.345 -0.313 0.000 1.865 201 W CB -0.491 28.834 29.460 -0.225 0.000 1.111 201 W HN 0.506 nan 8.180 nan 0.000 0.621 202 I N 0.822 121.265 120.570 -0.212 0.000 4.907 202 I HA -0.499 3.671 4.170 -0.000 0.000 0.038 202 I C 1.308 177.457 176.117 0.052 0.000 0.635 202 I CA 2.065 63.273 61.300 -0.153 0.000 0.207 202 I CB -0.880 36.914 38.000 -0.342 0.000 0.321 202 I HN 0.069 nan 8.210 nan 0.000 0.150 203 D N -0.918 119.628 120.400 0.244 0.000 2.599 203 D HA 0.097 4.737 4.640 -0.000 0.000 0.249 203 D C 0.875 177.548 176.300 0.621 0.000 1.313 203 D CA -0.258 53.998 54.000 0.427 0.000 0.815 203 D CB -0.307 40.834 40.800 0.568 0.000 1.077 203 D HN 0.555 nan 8.370 nan 0.000 0.492 204 W N 1.820 123.348 121.300 0.381 0.000 2.402 204 W HA 0.448 5.108 4.660 -0.000 0.000 0.286 204 W C 1.229 177.845 176.519 0.162 0.000 1.221 204 W CA 0.582 58.145 57.345 0.364 0.000 1.257 204 W CB -0.610 29.006 29.460 0.261 0.000 1.120 204 W HN 0.260 nan 8.180 nan 0.000 0.551 205 A N -1.427 121.473 122.820 0.134 0.000 4.258 205 A HA 0.547 4.867 4.320 -0.000 0.000 0.158 205 A C -0.473 176.830 177.584 -0.468 0.000 0.780 205 A CA -0.385 51.479 52.037 -0.289 0.000 1.200 205 A CB 0.514 18.949 19.000 -0.943 0.000 2.104 205 A HN -0.155 nan 8.150 nan 0.000 0.922 206 Q N 0.108 119.341 119.800 -0.945 0.000 2.458 206 Q HA 0.515 4.855 4.340 -0.000 0.000 0.282 206 Q C -1.309 174.344 176.000 -0.579 0.000 1.106 206 Q CA -0.495 54.880 55.803 -0.715 0.000 0.814 206 Q CB 1.624 29.775 28.738 -0.977 0.000 1.425 206 Q HN 0.633 nan 8.270 nan 0.000 0.437 207 T N 3.316 117.694 114.554 -0.294 0.000 2.814 207 T HA 0.277 4.627 4.350 -0.000 0.000 0.297 207 T C -2.273 172.316 174.700 -0.185 0.000 0.956 207 T CA -0.932 61.066 62.100 -0.171 0.000 1.123 207 T CB 0.212 69.044 68.868 -0.060 0.000 0.902 207 T HN 0.201 nan 8.240 nan 0.000 0.528 208 P HA 0.128 nan 4.420 nan 0.000 0.266 208 P C -1.925 175.239 177.300 -0.227 0.000 1.195 208 P CA -1.358 61.698 63.100 -0.073 0.000 0.768 208 P CB 0.080 31.837 31.700 0.095 0.000 0.838 209 P HA -0.157 nan 4.420 nan 0.000 0.218 209 P C 0.676 177.716 177.300 -0.434 0.000 1.149 209 P CA 1.506 64.347 63.100 -0.432 0.000 0.817 209 P CB -0.086 31.229 31.700 -0.642 0.000 0.785 210 D N -1.604 118.311 120.400 -0.808 0.000 2.340 210 D HA 0.007 4.647 4.640 -0.000 0.000 0.217 210 D C 0.560 176.682 176.300 -0.297 0.000 1.081 210 D CA -0.271 53.206 54.000 -0.871 0.000 0.842 210 D CB -0.771 39.158 40.800 -1.451 0.000 0.934 210 D HN -0.021 nan 8.370 nan 0.000 0.511 211 Q N 0.690 120.399 119.800 -0.151 0.000 2.435 211 Q HA -0.280 4.060 4.340 -0.000 0.000 0.286 211 Q C -0.523 175.487 176.000 0.016 0.000 1.229 211 Q CA 0.903 56.697 55.803 -0.014 0.000 0.884 211 Q CB -1.686 27.048 28.738 -0.008 0.000 1.245 211 Q HN 0.348 nan 8.270 nan 0.000 0.488 212 N N -1.946 116.767 118.700 0.022 0.000 2.741 212 N HA -0.235 4.505 4.740 -0.000 0.000 0.251 212 N C 0.125 175.628 175.510 -0.013 0.000 1.112 212 N CA 1.659 54.750 53.050 0.067 0.000 0.750 212 N CB -1.868 36.719 38.487 0.166 0.000 1.119 212 N HN 0.757 nan 8.380 nan 0.000 0.561 213 M N -1.094 118.461 119.600 -0.074 0.000 2.249 213 M HA 0.428 4.908 4.480 -0.000 0.000 0.340 213 M C 0.984 177.246 176.300 -0.062 0.000 1.166 213 M CA 1.110 56.373 55.300 -0.063 0.000 1.115 213 M CB 0.900 33.475 32.600 -0.042 0.000 1.606 213 M HN 0.233 nan 8.290 nan 0.000 0.448 214 G N 3.036 111.767 108.800 -0.116 0.000 2.302 214 G HA2 0.232 4.192 3.960 -0.000 0.000 0.264 214 G HA3 0.232 4.192 3.960 -0.000 0.000 0.264 214 G C -1.635 173.007 174.900 -0.430 0.000 1.335 214 G CA -0.917 44.021 45.100 -0.269 0.000 0.982 214 G HN 0.876 nan 8.290 nan 0.000 0.473 215 I N 1.562 121.818 120.570 -0.522 0.000 2.476 215 I HA 0.373 4.543 4.170 -0.000 0.000 0.281 215 I C 1.013 177.029 176.117 -0.169 0.000 1.040 215 I CA -0.825 60.209 61.300 -0.443 0.000 1.094 215 I CB 1.906 39.442 38.000 -0.773 0.000 1.219 215 I HN 0.710 nan 8.210 nan 0.000 0.450 216 V N 2.047 121.911 119.914 -0.082 0.000 3.578 216 V HA 0.439 4.559 4.120 -0.000 0.000 0.290 216 V C 0.687 176.790 176.094 0.016 0.000 1.376 216 V CA 0.192 62.501 62.300 0.016 0.000 1.083 216 V CB -0.481 31.363 31.823 0.034 0.000 0.911 216 V HN 0.677 nan 8.190 nan 0.000 0.433 217 R N -0.091 120.405 120.500 -0.005 0.000 2.888 217 R HA 0.522 4.862 4.340 -0.000 0.000 0.264 217 R C -1.163 175.166 176.300 0.048 0.000 1.045 217 R CA -0.968 55.129 56.100 -0.004 0.000 0.962 217 R CB 0.942 31.247 30.300 0.008 0.000 1.210 217 R HN 0.169 nan 8.270 nan 0.000 0.479 218 D N 0.725 121.165 120.400 0.067 0.000 2.399 218 D HA 0.130 4.770 4.640 -0.000 0.000 0.241 218 D C -0.470 175.936 176.300 0.178 0.000 1.133 218 D CA 0.112 54.189 54.000 0.128 0.000 0.890 218 D CB 1.086 41.955 40.800 0.116 0.000 1.201 218 D HN -0.003 nan 8.370 nan 0.000 0.432 219 V N 2.870 122.912 119.914 0.213 0.000 2.394 219 V HA 0.292 4.412 4.120 -0.000 0.000 0.282 219 V C 0.299 176.551 176.094 0.263 0.000 1.031 219 V CA -0.672 61.795 62.300 0.278 0.000 0.881 219 V CB 1.046 33.010 31.823 0.236 0.000 0.982 219 V HN 0.267 nan 8.190 nan 0.000 0.451 220 L N 5.203 126.596 121.223 0.285 0.000 2.317 220 L HA 0.601 4.941 4.340 -0.000 0.000 0.281 220 L C -0.482 176.535 176.870 0.244 0.000 1.024 220 L CA -0.839 54.136 54.840 0.225 0.000 0.810 220 L CB 1.936 44.109 42.059 0.189 0.000 1.240 220 L HN 0.330 nan 8.230 nan 0.000 0.427 221 V N 3.609 123.640 119.914 0.196 0.000 2.350 221 V HA 0.415 4.535 4.120 -0.000 0.000 0.276 221 V C 0.123 176.322 176.094 0.175 0.000 1.028 221 V CA -0.571 61.842 62.300 0.190 0.000 0.860 221 V CB 0.949 32.860 31.823 0.147 0.000 0.990 221 V HN 0.711 nan 8.190 nan 0.000 0.453 222 R N 4.841 125.469 120.500 0.213 0.000 2.604 222 R HA 0.761 5.100 4.340 -0.000 0.000 0.287 222 R C -0.771 175.675 176.300 0.244 0.000 0.970 222 R CA -0.994 55.224 56.100 0.196 0.000 0.946 222 R CB 1.855 32.258 30.300 0.171 0.000 1.127 222 R HN 0.498 nan 8.270 nan 0.000 0.473 223 R N 0.892 121.502 120.500 0.184 0.000 2.670 223 R HA 0.533 4.873 4.340 -0.000 0.000 0.289 223 R C -0.663 175.736 176.300 0.166 0.000 0.965 223 R CA -0.736 55.478 56.100 0.190 0.000 0.899 223 R CB 1.978 32.352 30.300 0.123 0.000 1.173 223 R HN 0.967 nan 8.270 nan 0.000 0.456 224 S N -1.033 114.791 115.700 0.205 0.000 2.643 224 S HA 0.720 5.190 4.470 -0.000 0.000 0.270 224 S C 0.067 174.757 174.600 0.151 0.000 1.166 224 S CA -0.497 57.789 58.200 0.143 0.000 0.815 224 S CB 1.823 65.074 63.200 0.085 0.000 1.139 224 S HN 0.588 nan 8.310 nan 0.000 0.472 225 G N 0.304 109.168 108.800 0.106 0.000 3.137 225 G HA2 0.556 4.516 3.960 -0.000 0.000 0.163 225 G HA3 0.556 4.516 3.960 -0.000 0.000 0.163 225 G C 1.221 176.179 174.900 0.098 0.000 1.602 225 G CA -0.098 45.055 45.100 0.090 0.000 1.067 225 G HN 1.285 nan 8.290 nan 0.000 0.568 226 A N -1.509 121.354 122.820 0.072 0.000 1.972 226 A HA 0.305 4.625 4.320 -0.000 0.000 0.219 226 A C 0.817 178.445 177.584 0.072 0.000 1.169 226 A CA 1.106 53.184 52.037 0.068 0.000 0.635 226 A CB -0.361 18.668 19.000 0.048 0.000 0.810 226 A HN 0.402 nan 8.150 nan 0.000 0.446 227 V N -0.092 119.858 119.914 0.059 0.000 2.448 227 V HA 0.603 4.723 4.120 -0.000 0.000 0.295 227 V C 0.103 176.207 176.094 0.018 0.000 1.025 227 V CA -0.504 61.819 62.300 0.038 0.000 0.859 227 V CB 1.208 33.048 31.823 0.027 0.000 0.988 227 V HN 0.468 nan 8.190 nan 0.000 0.431 228 A N 5.210 128.019 122.820 -0.018 0.000 2.290 228 A HA 0.765 5.085 4.320 -0.000 0.000 0.310 228 A C -0.806 176.739 177.584 -0.065 0.000 1.202 228 A CA -0.380 51.593 52.037 -0.106 0.000 0.837 228 A CB 0.756 19.608 19.000 -0.246 0.000 1.139 228 A HN 0.771 nan 8.150 nan 0.000 0.509 229 L N 2.526 123.715 121.223 -0.056 0.000 2.289 229 L HA 0.778 5.118 4.340 -0.000 0.000 0.285 229 L C 0.031 176.888 176.870 -0.022 0.000 1.049 229 L CA 0.149 54.980 54.840 -0.015 0.000 0.804 229 L CB 0.956 43.021 42.059 0.010 0.000 1.195 229 L HN 0.801 nan 8.230 nan 0.000 0.428 230 R N 2.214 122.719 120.500 0.008 0.000 2.668 230 R HA 0.468 4.807 4.340 -0.000 0.000 0.272 230 R C -0.099 176.243 176.300 0.069 0.000 1.019 230 R CA -0.117 55.994 56.100 0.018 0.000 0.894 230 R CB 1.948 32.247 30.300 -0.003 0.000 1.228 230 R HN 0.624 nan 8.270 nan 0.000 0.460 231 S N 0.655 116.401 115.700 0.078 0.000 3.682 231 S HA -0.206 4.264 4.470 -0.000 0.000 0.354 231 S C -0.402 174.327 174.600 0.215 0.000 1.034 231 S CA 0.501 58.771 58.200 0.116 0.000 1.084 231 S CB -0.917 62.376 63.200 0.154 0.000 0.903 231 S HN 0.740 nan 8.310 nan 0.000 0.470 232 A N 2.520 125.426 122.820 0.143 0.000 2.440 232 A HA 0.595 4.915 4.320 -0.000 0.000 0.251 232 A C 0.242 177.919 177.584 0.155 0.000 1.089 232 A CA 0.487 52.594 52.037 0.117 0.000 0.779 232 A CB 0.250 19.276 19.000 0.043 0.000 1.022 232 A HN 0.999 nan 8.150 nan 0.000 0.492 233 H N -1.162 117.865 119.070 -0.071 0.000 2.967 233 H HA 0.603 5.159 4.556 -0.000 0.000 0.318 233 H C -2.171 173.034 175.328 -0.206 0.000 1.375 233 H CA -1.052 54.923 56.048 -0.122 0.000 1.132 233 H CB 0.832 30.534 29.762 -0.100 0.000 1.848 233 H HN 0.463 nan 8.280 nan 0.000 0.524 234 V N 2.439 122.193 119.914 -0.267 0.000 2.409 234 V HA 0.271 4.391 4.120 -0.000 0.000 0.290 234 V C 0.541 176.422 176.094 -0.355 0.000 1.017 234 V CA -0.626 61.362 62.300 -0.521 0.000 0.841 234 V CB 1.048 32.182 31.823 -1.148 0.000 1.003 234 V HN 0.537 nan 8.190 nan 0.000 0.426 235 I N 5.110 125.522 120.570 -0.263 0.000 2.471 235 I HA 0.304 4.474 4.170 -0.000 0.000 0.286 235 I C 0.186 176.180 176.117 -0.205 0.000 1.079 235 I CA 0.299 61.501 61.300 -0.164 0.000 1.398 235 I CB 0.804 38.744 38.000 -0.099 0.000 1.403 235 I HN 0.581 nan 8.210 nan 0.000 0.530 236 Q N 7.839 127.548 119.800 -0.153 0.000 2.292 236 Q HA 0.423 4.763 4.340 -0.000 0.000 0.270 236 Q C -1.660 174.296 176.000 -0.074 0.000 1.024 236 Q CA -0.977 54.754 55.803 -0.120 0.000 0.768 236 Q CB 2.045 30.741 28.738 -0.070 0.000 1.250 236 Q HN 0.589 nan 8.270 nan 0.000 0.447 237 K N 3.798 124.158 120.400 -0.067 0.000 2.463 237 K HA 0.527 4.847 4.320 -0.000 0.000 0.255 237 K C -1.603 174.976 176.600 -0.035 0.000 0.942 237 K CA -0.590 55.670 56.287 -0.044 0.000 0.814 237 K CB 1.229 33.709 32.500 -0.034 0.000 1.122 237 K HN 0.582 nan 8.250 nan 0.000 0.425 238 L N 4.497 125.708 121.223 -0.020 0.000 2.317 238 L HA 0.516 4.855 4.340 -0.000 0.000 0.281 238 L C -0.587 176.296 176.870 0.021 0.000 1.024 238 L CA -0.373 54.463 54.840 -0.006 0.000 0.810 238 L CB 1.122 43.174 42.059 -0.012 0.000 1.240 238 L HN 0.868 nan 8.230 nan 0.000 0.427 239 N N 1.588 120.320 118.700 0.054 0.000 2.399 239 N HA 0.006 4.746 4.740 -0.000 0.000 0.250 239 N C 0.769 176.311 175.510 0.055 0.000 1.272 239 N CA 0.329 53.418 53.050 0.065 0.000 0.928 239 N CB 0.337 38.883 38.487 0.098 0.000 1.158 239 N HN 0.666 nan 8.380 nan 0.000 0.463 240 S N -0.937 114.793 115.700 0.051 0.000 2.442 240 S HA -0.084 4.386 4.470 -0.000 0.000 0.236 240 S C 1.695 176.337 174.600 0.070 0.000 1.007 240 S CA 0.569 58.801 58.200 0.054 0.000 0.965 240 S CB -0.716 62.513 63.200 0.048 0.000 0.773 240 S HN 0.787 nan 8.310 nan 0.000 0.504 241 A N 1.530 124.394 122.820 0.073 0.000 2.119 241 A HA 0.394 4.714 4.320 -0.000 0.000 0.217 241 A C 1.433 179.080 177.584 0.105 0.000 1.153 241 A CA 0.840 52.928 52.037 0.085 0.000 0.692 241 A CB -0.791 18.254 19.000 0.075 0.000 0.799 241 A HN 0.783 nan 8.150 nan 0.000 0.458 242 L N -1.574 119.706 121.223 0.096 0.000 4.496 242 L HA -0.247 4.093 4.340 -0.000 0.000 0.419 242 L C 0.490 177.427 176.870 0.112 0.000 1.139 242 L CA 0.755 55.653 54.840 0.097 0.000 0.975 242 L CB -2.088 40.052 42.059 0.136 0.000 2.099 242 L HN 0.690 nan 8.230 nan 0.000 0.818 243 D N -1.661 118.808 120.400 0.116 0.000 2.433 243 D HA 0.154 4.794 4.640 -0.000 0.000 0.211 243 D C 0.400 176.798 176.300 0.163 0.000 1.114 243 D CA 0.187 54.261 54.000 0.123 0.000 0.837 243 D CB 0.160 41.025 40.800 0.108 0.000 0.984 243 D HN 0.576 nan 8.370 nan 0.000 0.505 244 H N -0.013 119.082 119.070 0.041 0.000 2.947 244 H HA 0.670 5.225 4.556 -0.000 0.000 0.354 244 H C -1.636 173.705 175.328 0.022 0.000 1.085 244 H CA -0.530 55.535 56.048 0.028 0.000 1.253 244 H CB 1.809 31.583 29.762 0.020 0.000 1.757 244 H HN 0.092 nan 8.280 nan 0.000 0.523 245 A N 4.054 126.567 122.820 -0.512 0.000 2.355 245 A HA 0.507 4.827 4.320 -0.000 0.000 0.324 245 A C -1.009 176.295 177.584 -0.466 0.000 1.117 245 A CA -0.806 51.034 52.037 -0.328 0.000 0.785 245 A CB 1.123 20.025 19.000 -0.162 0.000 1.254 245 A HN 0.774 nan 8.150 nan 0.000 0.453 246 D N 1.454 121.725 120.400 -0.216 0.000 2.278 246 D HA 0.489 5.129 4.640 -0.000 0.000 0.245 246 D C -1.167 175.053 176.300 -0.133 0.000 1.052 246 D CA -0.124 53.792 54.000 -0.140 0.000 0.834 246 D CB 1.886 42.664 40.800 -0.037 0.000 1.194 246 D HN 0.152 nan 8.370 nan 0.000 0.481 247 L N 1.908 123.041 121.223 -0.150 0.000 2.313 247 L HA 0.333 4.673 4.340 -0.000 0.000 0.283 247 L C 0.393 177.159 176.870 -0.173 0.000 1.013 247 L CA -0.475 54.243 54.840 -0.205 0.000 0.816 247 L CB 1.505 43.413 42.059 -0.251 0.000 1.236 247 L HN 0.201 nan 8.230 nan 0.000 0.419 248 T N 2.907 117.349 114.554 -0.187 0.000 2.893 248 T HA 0.432 4.782 4.350 -0.000 0.000 0.324 248 T C 0.106 174.682 174.700 -0.207 0.000 1.082 248 T CA -0.384 61.634 62.100 -0.137 0.000 0.983 248 T CB 0.920 69.734 68.868 -0.090 0.000 1.005 248 T HN 0.171 nan 8.240 nan 0.000 0.475 249 V N 4.630 124.425 119.914 -0.198 0.000 2.614 249 V HA 0.323 4.443 4.120 -0.000 0.000 0.291 249 V C 0.370 176.421 176.094 -0.071 0.000 1.049 249 V CA -0.078 62.056 62.300 -0.277 0.000 1.038 249 V CB 0.696 32.196 31.823 -0.539 0.000 0.980 249 V HN 0.687 nan 8.190 nan 0.000 0.481 250 K N 3.090 123.326 120.400 -0.273 0.000 2.468 250 K HA 0.838 5.158 4.320 -0.000 0.000 0.252 250 K C -0.927 175.600 176.600 -0.122 0.000 0.932 250 K CA -0.502 55.667 56.287 -0.196 0.000 0.794 250 K CB 2.438 34.695 32.500 -0.406 0.000 1.241 250 K HN 0.810 nan 8.250 nan 0.000 0.428 251 A N 2.384 125.250 122.820 0.076 0.000 2.547 251 A HA 0.484 4.804 4.320 -0.000 0.000 0.297 251 A C -1.712 175.930 177.584 0.096 0.000 1.056 251 A CA -0.920 51.184 52.037 0.111 0.000 0.688 251 A CB 1.192 20.279 19.000 0.144 0.000 1.282 251 A HN 0.615 nan 8.150 nan 0.000 0.400 252 D N 1.040 121.495 120.400 0.091 0.000 2.210 252 D HA 0.506 5.146 4.640 -0.000 0.000 0.249 252 D C -0.044 176.277 176.300 0.036 0.000 1.062 252 D CA 0.116 54.151 54.000 0.057 0.000 0.891 252 D CB 1.800 42.635 40.800 0.057 0.000 1.186 252 D HN 0.705 nan 8.370 nan 0.000 0.432 253 V N -0.387 119.538 119.914 0.018 0.000 2.588 253 V HA 0.654 4.774 4.120 -0.000 0.000 0.304 253 V C -0.366 175.730 176.094 0.003 0.000 1.042 253 V CA -1.050 61.255 62.300 0.009 0.000 0.877 253 V CB 2.053 33.881 31.823 0.009 0.000 0.996 253 V HN 0.452 nan 8.190 nan 0.000 0.425 254 R N 3.081 123.581 120.500 0.001 0.000 2.476 254 R HA 0.448 4.788 4.340 -0.000 0.000 0.305 254 R C -0.819 175.495 176.300 0.023 0.000 0.965 254 R CA -0.546 55.559 56.100 0.009 0.000 0.867 254 R CB 1.424 31.728 30.300 0.007 0.000 1.176 254 R HN 0.900 nan 8.270 nan 0.000 0.447 255 N N 3.121 121.837 118.700 0.026 0.000 2.482 255 N HA 0.026 4.766 4.740 -0.000 0.000 0.242 255 N C -0.587 174.953 175.510 0.050 0.000 1.100 255 N CA -0.039 53.032 53.050 0.035 0.000 0.946 255 N CB 1.018 39.520 38.487 0.024 0.000 1.227 255 N HN 0.528 nan 8.380 nan 0.000 0.508 256 D N 0.121 120.568 120.400 0.078 0.000 2.340 256 D HA -0.031 4.609 4.640 -0.000 0.000 0.220 256 D C 0.521 176.863 176.300 0.070 0.000 1.039 256 D CA 0.312 54.370 54.000 0.097 0.000 0.866 256 D CB 0.120 41.030 40.800 0.183 0.000 0.913 256 D HN 0.592 nan 8.370 nan 0.000 0.523 257 S N -0.607 115.126 115.700 0.056 0.000 2.681 257 S HA 0.519 4.988 4.470 -0.000 0.000 0.270 257 S C 1.256 175.874 174.600 0.030 0.000 1.209 257 S CA -0.275 57.950 58.200 0.041 0.000 0.988 257 S CB 1.947 65.171 63.200 0.039 0.000 1.006 257 S HN -0.027 nan 8.310 nan 0.000 0.558 258 A N 0.753 123.587 122.820 0.023 0.000 2.235 258 A HA 0.263 4.583 4.320 -0.000 0.000 0.208 258 A C 0.219 177.812 177.584 0.015 0.000 1.172 258 A CA -0.001 52.047 52.037 0.017 0.000 0.786 258 A CB -1.079 17.930 19.000 0.014 0.000 0.804 258 A HN 0.840 nan 8.150 nan 0.000 0.479 259 N N -1.400 117.310 118.700 0.017 0.000 2.265 259 N HA 0.581 5.321 4.740 -0.000 0.000 0.300 259 N C -0.447 175.071 175.510 0.013 0.000 1.148 259 N CA -0.158 52.900 53.050 0.014 0.000 0.772 259 N CB 1.524 40.019 38.487 0.014 0.000 1.434 259 N HN 0.174 nan 8.380 nan 0.000 0.481 260 A N 0.511 123.337 122.820 0.010 0.000 2.483 260 A HA 0.475 4.795 4.320 -0.000 0.000 0.238 260 A C 0.209 177.798 177.584 0.009 0.000 1.070 260 A CA -0.090 51.952 52.037 0.008 0.000 0.770 260 A CB -0.205 18.797 19.000 0.004 0.000 1.008 260 A HN 0.638 nan 8.150 nan 0.000 0.497 261 V N -0.466 119.453 119.914 0.008 0.000 3.159 261 V HA 0.650 4.770 4.120 -0.000 0.000 0.308 261 V C -0.690 175.406 176.094 0.004 0.000 1.190 261 V CA -0.929 61.377 62.300 0.009 0.000 1.037 261 V CB 1.720 33.551 31.823 0.014 0.000 1.060 261 V HN 0.884 nan 8.190 nan 0.000 0.437 262 Q N 0.793 120.595 119.800 0.004 0.000 2.293 262 Q HA 0.605 4.945 4.340 -0.000 0.000 0.261 262 Q C -0.965 175.036 176.000 0.002 0.000 0.960 262 Q CA -0.296 55.507 55.803 -0.001 0.000 0.882 262 Q CB 2.063 30.800 28.738 -0.001 0.000 1.275 262 Q HN 1.000 nan 8.270 nan 0.000 0.445 263 T N 1.183 115.736 114.554 -0.002 0.000 2.863 263 T HA 0.461 4.811 4.350 -0.000 0.000 0.285 263 T C -0.846 173.853 174.700 -0.000 0.000 1.009 263 T CA -0.295 61.808 62.100 0.004 0.000 0.989 263 T CB 1.303 70.177 68.868 0.009 0.000 1.004 263 T HN 0.414 nan 8.240 nan 0.000 0.455 264 T N 3.817 118.379 114.554 0.013 0.000 2.758 264 T HA 0.510 4.860 4.350 -0.000 0.000 0.285 264 T C -0.449 174.279 174.700 0.048 0.000 0.981 264 T CA -0.462 61.651 62.100 0.020 0.000 0.965 264 T CB 0.900 69.783 68.868 0.025 0.000 0.927 264 T HN 0.476 nan 8.240 nan 0.000 0.448 265 V N 3.074 123.028 119.914 0.067 0.000 2.328 265 V HA 0.815 4.935 4.120 -0.000 0.000 0.278 265 V C 0.179 176.433 176.094 0.266 0.000 1.021 265 V CA -0.635 61.759 62.300 0.157 0.000 0.838 265 V CB 0.445 32.382 31.823 0.190 0.000 0.999 265 V HN 1.084 nan 8.190 nan 0.000 0.447 266 A N 3.452 126.383 122.820 0.185 0.000 2.587 266 A HA 1.062 5.381 4.320 -0.000 0.000 0.293 266 A C 0.139 177.761 177.584 0.063 0.000 1.087 266 A CA 0.067 52.197 52.037 0.156 0.000 0.692 266 A CB 2.137 21.202 19.000 0.109 0.000 1.291 266 A HN 1.435 nan 8.150 nan 0.000 0.407 267 G N -0.678 108.132 108.800 0.016 0.000 2.579 267 G HA2 0.625 4.585 3.960 -0.000 0.000 0.080 267 G HA3 0.625 4.585 3.960 -0.000 0.000 0.080 267 G C -0.321 174.557 174.900 -0.035 0.000 1.040 267 G CA 1.011 46.106 45.100 -0.009 0.000 1.118 267 G HN 2.179 nan 8.290 nan 0.000 0.485 268 T N -2.708 111.816 114.554 -0.051 0.000 2.900 268 T HA 0.727 5.077 4.350 -0.000 0.000 0.303 268 T C -1.579 173.092 174.700 -0.050 0.000 1.142 268 T CA -0.273 61.802 62.100 -0.042 0.000 1.007 268 T CB 1.954 70.826 68.868 0.006 0.000 1.156 268 T HN 1.836 nan 8.240 nan 0.000 0.490 269 V N 1.865 121.754 119.914 -0.042 0.000 2.569 269 V HA 0.638 4.758 4.120 -0.000 0.000 0.301 269 V C 0.563 176.692 176.094 0.059 0.000 1.044 269 V CA 0.340 62.647 62.300 0.012 0.000 0.874 269 V CB 0.535 32.274 31.823 -0.139 0.000 1.002 269 V HN 2.336 nan 8.190 nan 0.000 0.424 270 A N 4.710 127.629 122.820 0.164 0.000 2.799 270 A HA 0.012 4.332 4.320 -0.000 0.000 0.287 270 A C 1.960 179.600 177.584 0.094 0.000 1.484 270 A CA 1.845 53.930 52.037 0.080 0.000 0.813 270 A CB -1.792 17.000 19.000 -0.348 0.000 1.009 270 A HN 2.926 nan 8.150 nan 0.000 0.545 271 G N -2.386 106.470 108.800 0.093 0.000 2.176 271 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.253 271 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.253 271 G C 0.043 174.964 174.900 0.036 0.000 0.979 271 G CA 0.979 46.122 45.100 0.072 0.000 0.641 271 G HN 1.123 nan 8.290 nan 0.000 0.530 272 K N 1.782 122.189 120.400 0.012 0.000 2.185 272 K HA 0.488 4.807 4.320 -0.000 0.000 0.269 272 K C -2.341 174.251 176.600 -0.013 0.000 0.987 272 K CA -1.968 54.317 56.287 -0.003 0.000 0.865 272 K CB 2.161 34.650 32.500 -0.018 0.000 1.090 272 K HN 0.060 nan 8.250 nan 0.000 0.450 273 P HA 0.123 nan 4.420 nan 0.000 0.276 273 P C -0.666 176.637 177.300 0.005 0.000 1.230 273 P CA -0.071 63.031 63.100 0.004 0.000 0.776 273 P CB 0.447 32.159 31.700 0.019 0.000 0.888 274 I N -1.609 118.963 120.570 0.003 0.000 2.865 274 I HA 0.787 4.957 4.170 -0.000 0.000 0.302 274 I C -1.031 175.195 176.117 0.181 0.000 1.140 274 I CA -1.023 60.316 61.300 0.064 0.000 1.021 274 I CB 2.556 40.485 38.000 -0.119 0.000 1.233 274 I HN 0.282 nan 8.210 nan 0.000 0.427 275 S N 2.927 118.822 115.700 0.325 0.000 2.582 275 S HA 0.435 4.904 4.470 -0.000 0.000 0.287 275 S C -1.669 173.016 174.600 0.142 0.000 1.146 275 S CA -0.528 57.834 58.200 0.270 0.000 0.941 275 S CB 1.592 64.867 63.200 0.126 0.000 1.115 275 S HN 0.723 nan 8.310 nan 0.000 0.458 276 Q N 2.204 122.005 119.800 0.001 0.000 2.359 276 Q HA 0.514 4.854 4.340 -0.000 0.000 0.274 276 Q C -1.201 174.722 176.000 -0.128 0.000 1.074 276 Q CA -0.653 55.027 55.803 -0.205 0.000 0.810 276 Q CB 2.352 30.730 28.738 -0.600 0.000 1.342 276 Q HN 0.693 nan 8.270 nan 0.000 0.427 277 T N 1.302 115.795 114.554 -0.101 0.000 2.807 277 T HA 0.643 4.992 4.350 -0.000 0.000 0.279 277 T C -0.173 174.482 174.700 -0.075 0.000 0.993 277 T CA -0.581 61.480 62.100 -0.065 0.000 0.970 277 T CB 1.247 70.095 68.868 -0.034 0.000 0.950 277 T HN 0.445 nan 8.240 nan 0.000 0.441 278 V N 0.289 120.165 119.914 -0.063 0.000 3.078 278 V HA 0.855 4.975 4.120 -0.000 0.000 0.311 278 V C -0.329 175.744 176.094 -0.034 0.000 1.138 278 V CA -0.901 61.365 62.300 -0.057 0.000 1.007 278 V CB 2.211 33.991 31.823 -0.071 0.000 1.045 278 V HN 0.737 nan 8.190 nan 0.000 0.432 279 S N 2.801 118.484 115.700 -0.029 0.000 2.541 279 S HA 0.804 5.274 4.470 -0.000 0.000 0.283 279 S C -0.525 174.066 174.600 -0.015 0.000 1.196 279 S CA -0.507 57.682 58.200 -0.018 0.000 1.062 279 S CB 0.851 64.042 63.200 -0.015 0.000 1.009 279 S HN 0.670 nan 8.310 nan 0.000 0.502 280 L N 2.602 123.820 121.223 -0.008 0.000 2.372 280 L HA 0.544 4.884 4.340 -0.000 0.000 0.273 280 L C 0.334 177.204 176.870 0.000 0.000 0.989 280 L CA -0.771 54.066 54.840 -0.004 0.000 0.841 280 L CB 1.443 43.502 42.059 0.000 0.000 1.225 280 L HN 0.733 nan 8.230 nan 0.000 0.414 281 A N 2.638 125.457 122.820 -0.001 0.000 2.448 281 A HA 0.571 4.891 4.320 -0.000 0.000 0.239 281 A C 0.752 178.340 177.584 0.006 0.000 1.080 281 A CA 0.196 52.234 52.037 0.002 0.000 0.779 281 A CB 0.334 19.334 19.000 -0.000 0.000 1.026 281 A HN 0.839 nan 8.150 nan 0.000 0.499 282 A N 1.142 123.967 122.820 0.009 0.000 2.567 282 A HA 0.402 4.722 4.320 -0.000 0.000 0.240 282 A C 1.028 178.620 177.584 0.013 0.000 1.053 282 A CA 0.672 52.717 52.037 0.013 0.000 0.755 282 A CB -0.163 18.845 19.000 0.012 0.000 0.978 282 A HN 1.194 nan 8.150 nan 0.000 0.507 283 K N -0.453 119.958 120.400 0.019 0.000 3.472 283 K HA -0.191 4.129 4.320 -0.000 0.000 0.315 283 K C 0.100 176.708 176.600 0.014 0.000 1.320 283 K CA 1.758 58.057 56.287 0.020 0.000 0.962 283 K CB -1.864 30.645 32.500 0.015 0.000 1.251 283 K HN 1.006 nan 8.250 nan 0.000 0.443 284 E N 0.954 121.160 120.200 0.010 0.000 2.331 284 E HA 0.267 4.617 4.350 -0.000 0.000 0.272 284 E C -0.229 176.373 176.600 0.004 0.000 1.036 284 E CA -0.457 55.945 56.400 0.004 0.000 0.864 284 E CB 0.775 30.475 29.700 -0.000 0.000 1.035 284 E HN 0.204 nan 8.360 nan 0.000 0.408 285 R N 3.449 123.949 120.500 -0.001 0.000 2.562 285 R HA 0.375 4.715 4.340 -0.000 0.000 0.298 285 R C -1.088 175.208 176.300 -0.006 0.000 0.961 285 R CA -0.631 55.468 56.100 -0.002 0.000 0.881 285 R CB 1.043 31.341 30.300 -0.004 0.000 1.159 285 R HN 0.408 nan 8.270 nan 0.000 0.450 286 K N 1.720 122.117 120.400 -0.005 0.000 2.422 286 K HA 0.293 4.613 4.320 -0.000 0.000 0.251 286 K C -1.218 175.381 176.600 -0.002 0.000 0.933 286 K CA -0.775 55.506 56.287 -0.010 0.000 0.798 286 K CB 2.565 35.052 32.500 -0.021 0.000 1.238 286 K HN 0.512 nan 8.250 nan 0.000 0.428 287 T N 2.096 116.651 114.554 0.002 0.000 2.729 287 T HA 0.166 4.516 4.350 -0.000 0.000 0.296 287 T C -0.148 174.540 174.700 -0.020 0.000 0.928 287 T CA -0.469 61.640 62.100 0.015 0.000 1.045 287 T CB 0.506 69.397 68.868 0.039 0.000 0.902 287 T HN 0.132 nan 8.240 nan 0.000 0.500 288 V N 4.885 124.780 119.914 -0.032 0.000 2.406 288 V HA 0.292 4.412 4.120 -0.000 0.000 0.272 288 V C 0.629 176.668 176.094 -0.092 0.000 1.043 288 V CA -0.495 61.731 62.300 -0.123 0.000 0.915 288 V CB 1.202 32.899 31.823 -0.209 0.000 0.988 288 V HN 0.902 nan 8.190 nan 0.000 0.466 289 T N 6.310 120.787 114.554 -0.128 0.000 2.756 289 T HA 0.536 4.886 4.350 -0.000 0.000 0.290 289 T C -0.289 174.355 174.700 -0.093 0.000 0.985 289 T CA -0.089 61.983 62.100 -0.047 0.000 0.955 289 T CB 0.236 69.083 68.868 -0.034 0.000 0.930 289 T HN 0.285 nan 8.240 nan 0.000 0.451 290 F N 3.817 123.716 119.950 -0.085 0.000 2.410 290 F HA 0.338 4.865 4.527 -0.000 0.000 0.334 290 F C -1.510 174.251 175.800 -0.064 0.000 1.134 290 F CA -2.177 55.780 58.000 -0.072 0.000 1.227 290 F CB 0.183 39.133 39.000 -0.083 0.000 1.194 290 F HN 0.338 nan 8.300 nan 0.000 0.571 291 P HA -0.030 nan 4.420 nan 0.000 0.267 291 P C -0.490 176.845 177.300 0.058 0.000 1.200 291 P CA -0.314 62.821 63.100 0.059 0.000 0.772 291 P CB 0.415 32.143 31.700 0.047 0.000 0.855 292 L N 3.604 124.842 121.223 0.025 0.000 2.628 292 L HA -0.063 4.276 4.340 -0.000 0.000 0.292 292 L C -0.399 176.473 176.870 0.003 0.000 1.250 292 L CA 0.885 55.728 54.840 0.005 0.000 0.892 292 L CB 0.103 42.167 42.059 0.009 0.000 1.138 292 L HN 0.088 nan 8.230 nan 0.000 0.502 293 V N 5.038 124.934 119.914 -0.030 0.000 2.409 293 V HA 0.532 4.652 4.120 -0.000 0.000 0.291 293 V C 0.684 176.747 176.094 -0.051 0.000 1.020 293 V CA -0.417 61.860 62.300 -0.038 0.000 0.848 293 V CB 1.136 32.915 31.823 -0.072 0.000 0.990 293 V HN 0.937 nan 8.190 nan 0.000 0.430 294 G N 4.043 112.843 108.800 0.000 0.000 2.390 294 G HA2 0.526 4.486 3.960 -0.000 0.000 0.270 294 G HA3 0.526 4.486 3.960 -0.000 0.000 0.270 294 G C -1.097 173.767 174.900 -0.061 0.000 1.211 294 G CA -0.224 44.886 45.100 0.018 0.000 0.842 294 G HN 0.510 nan 8.290 nan 0.000 0.519 295 L N 2.484 123.553 121.223 -0.256 0.000 2.372 295 L HA 0.404 4.744 4.340 -0.000 0.000 0.273 295 L C -0.992 175.800 176.870 -0.131 0.000 0.989 295 L CA -0.780 53.953 54.840 -0.178 0.000 0.841 295 L CB 1.817 43.742 42.059 -0.224 0.000 1.225 295 L HN 0.384 nan 8.230 nan 0.000 0.414 296 D N 5.088 125.525 120.400 0.061 0.000 2.256 296 D HA 0.320 4.960 4.640 -0.000 0.000 0.250 296 D C 0.123 176.478 176.300 0.092 0.000 1.093 296 D CA -0.172 53.918 54.000 0.150 0.000 0.882 296 D CB 1.041 41.929 40.800 0.145 0.000 1.185 296 D HN 0.398 nan 8.370 nan 0.000 0.437 297 R N 0.364 120.926 120.500 0.104 0.000 3.251 297 R HA -0.129 4.211 4.340 -0.000 0.000 0.249 297 R C -2.088 174.268 176.300 0.094 0.000 0.949 297 R CA -0.070 56.085 56.100 0.092 0.000 0.645 297 R CB -1.670 28.676 30.300 0.077 0.000 1.065 297 R HN 0.390 nan 8.270 nan 0.000 0.452 298 P HA -0.063 nan 4.420 nan 0.000 0.269 298 P C -0.424 176.982 177.300 0.176 0.000 1.215 298 P CA 0.037 63.237 63.100 0.168 0.000 0.780 298 P CB 0.461 32.247 31.700 0.143 0.000 0.898 299 N N 0.708 119.511 118.700 0.170 0.000 2.549 299 N HA 0.113 4.853 4.740 -0.000 0.000 0.267 299 N C -0.216 175.388 175.510 0.158 0.000 1.182 299 N CA -0.301 52.761 53.050 0.018 0.000 1.019 299 N CB 0.162 38.394 38.487 -0.425 0.000 1.380 299 N HN 0.187 nan 8.380 nan 0.000 0.505 300 V N 2.499 122.523 119.914 0.183 0.000 2.585 300 V HA -0.080 4.040 4.120 -0.000 0.000 0.296 300 V C 0.350 176.505 176.094 0.102 0.000 1.035 300 V CA -0.267 62.098 62.300 0.110 0.000 1.084 300 V CB 0.204 32.021 31.823 -0.010 0.000 0.953 300 V HN 0.555 nan 8.190 nan 0.000 0.483 301 W N 5.905 127.136 121.300 -0.116 0.000 2.238 301 W HA 0.487 5.147 4.660 -0.000 0.000 0.321 301 W C -0.774 175.582 176.519 -0.272 0.000 1.293 301 W CA -0.457 56.845 57.345 -0.072 0.000 1.204 301 W CB 0.608 30.038 29.460 -0.050 0.000 1.167 301 W HN 0.536 nan 8.180 nan 0.000 0.553 302 W N 6.796 127.740 121.300 -0.593 0.000 2.882 302 W HA 0.406 5.066 4.660 -0.000 0.000 0.345 302 W C -1.875 173.994 176.519 -1.084 0.000 1.125 302 W CA -2.220 54.818 57.345 -0.513 0.000 1.167 302 W CB 0.662 29.949 29.460 -0.288 0.000 1.431 302 W HN 0.163 nan 8.180 nan 0.000 0.543 303 P HA 0.102 nan 4.420 nan 0.000 0.269 303 P C -0.415 176.775 177.300 -0.184 0.000 1.217 303 P CA -0.086 62.883 63.100 -0.219 0.000 0.783 303 P CB 0.332 32.066 31.700 0.058 0.000 0.898 304 A N 2.007 124.736 122.820 -0.152 0.000 2.565 304 A HA 0.358 4.678 4.320 -0.000 0.000 0.237 304 A C 1.597 179.127 177.584 -0.090 0.000 1.053 304 A CA 0.997 52.964 52.037 -0.117 0.000 0.755 304 A CB -1.607 17.348 19.000 -0.074 0.000 0.980 304 A HN 0.886 nan 8.150 nan 0.000 0.506 305 G N 1.269 110.007 108.800 -0.103 0.000 2.225 305 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.254 305 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.254 305 G C 0.665 175.480 174.900 -0.140 0.000 0.988 305 G CA 0.832 45.871 45.100 -0.101 0.000 0.625 305 G HN 0.754 nan 8.290 nan 0.000 0.527 306 M N 0.349 119.851 119.600 -0.164 0.000 2.313 306 M HA 0.481 4.961 4.480 -0.000 0.000 0.273 306 M C 1.102 177.030 176.300 -0.619 0.000 1.049 306 M CA 1.022 56.144 55.300 -0.297 0.000 1.004 306 M CB 1.165 33.700 32.600 -0.108 0.000 1.461 306 M HN 0.971 nan 8.290 nan 0.000 0.514 307 G N -0.472 108.093 108.800 -0.392 0.000 2.351 307 G HA2 0.329 4.289 3.960 -0.000 0.000 0.279 307 G HA3 0.329 4.289 3.960 -0.000 0.000 0.279 307 G C -1.104 173.718 174.900 -0.130 0.000 1.297 307 G CA -0.586 44.274 45.100 -0.399 0.000 0.886 307 G HN 0.216 nan 8.290 nan 0.000 0.493 308 G N -1.568 107.232 108.800 -0.000 0.000 2.547 308 G HA2 0.509 4.469 3.960 -0.000 0.000 0.291 308 G HA3 0.509 4.469 3.960 -0.000 0.000 0.291 308 G C -0.164 174.658 174.900 -0.131 0.000 1.211 308 G CA -0.112 44.971 45.100 -0.028 0.000 0.950 308 G HN 0.517 nan 8.290 nan 0.000 0.504 309 Q N -0.895 118.815 119.800 -0.149 0.000 2.182 309 Q HA 0.178 4.518 4.340 -0.000 0.000 0.305 309 Q C -0.255 175.815 176.000 0.116 0.000 0.880 309 Q CA -0.446 55.186 55.803 -0.285 0.000 1.131 309 Q CB 0.317 28.947 28.738 -0.181 0.000 1.237 309 Q HN 0.735 nan 8.270 nan 0.000 0.447 310 H N 0.478 119.570 119.070 0.036 0.000 2.928 310 H HA 0.246 4.802 4.556 -0.000 0.000 0.338 310 H C -0.481 174.862 175.328 0.024 0.000 1.047 310 H CA 0.630 56.661 56.048 -0.027 0.000 1.435 310 H CB 0.472 30.130 29.762 -0.173 0.000 1.428 310 H HN 0.023 nan 8.280 nan 0.000 0.590 311 R N 3.734 123.764 120.500 -0.783 0.000 2.599 311 R HA 0.287 4.627 4.340 -0.000 0.000 0.295 311 R C -1.082 174.559 176.300 -1.098 0.000 0.963 311 R CA -0.730 54.945 56.100 -0.709 0.000 0.883 311 R CB 1.284 31.374 30.300 -0.350 0.000 1.171 311 R HN 0.534 nan 8.270 nan 0.000 0.450 312 Y N 0.397 120.198 120.300 -0.832 0.000 2.326 312 Y HA 0.196 4.746 4.550 -0.000 0.000 0.324 312 Y C 0.438 175.990 175.900 -0.580 0.000 1.291 312 Y CA 0.003 57.692 58.100 -0.686 0.000 1.348 312 Y CB 0.938 38.850 38.460 -0.913 0.000 1.294 312 Y HN 0.383 nan 8.280 nan 0.000 0.525 313 D N 1.618 122.000 120.400 -0.030 0.000 2.163 313 D HA 0.302 4.942 4.640 -0.000 0.000 0.248 313 D C -1.229 175.210 176.300 0.231 0.000 1.035 313 D CA -0.490 53.552 54.000 0.069 0.000 0.872 313 D CB 2.284 43.115 40.800 0.051 0.000 1.183 313 D HN 0.238 nan 8.370 nan 0.000 0.445 314 L N 2.015 123.378 121.223 0.232 0.000 2.296 314 L HA 0.437 4.777 4.340 -0.000 0.000 0.286 314 L C -1.035 175.865 176.870 0.050 0.000 1.023 314 L CA -0.262 54.656 54.840 0.131 0.000 0.812 314 L CB 1.433 43.537 42.059 0.075 0.000 1.223 314 L HN 0.126 nan 8.230 nan 0.000 0.421 315 D N 5.284 125.691 120.400 0.010 0.000 2.542 315 D HA 0.477 5.117 4.640 -0.000 0.000 0.252 315 D C -1.552 174.737 176.300 -0.019 0.000 1.222 315 D CA -0.071 53.933 54.000 0.008 0.000 0.895 315 D CB 0.896 41.709 40.800 0.021 0.000 1.207 315 D HN 0.558 nan 8.370 nan 0.000 0.558 316 L N 2.143 123.361 121.223 -0.009 0.000 2.370 316 L HA 0.616 4.956 4.340 -0.000 0.000 0.266 316 L C -0.174 176.712 176.870 0.027 0.000 1.002 316 L CA -0.758 54.080 54.840 -0.002 0.000 0.818 316 L CB 2.598 44.650 42.059 -0.011 0.000 1.325 316 L HN 0.233 nan 8.230 nan 0.000 0.418 317 T N 1.409 115.988 114.554 0.042 0.000 2.841 317 T HA 0.607 4.957 4.350 -0.000 0.000 0.285 317 T C -0.410 174.326 174.700 0.059 0.000 0.991 317 T CA -0.489 61.639 62.100 0.046 0.000 0.966 317 T CB 1.821 70.714 68.868 0.041 0.000 0.962 317 T HN 0.620 nan 8.240 nan 0.000 0.438 318 A N 2.831 125.682 122.820 0.052 0.000 2.260 318 A HA 0.729 5.048 4.320 -0.000 0.000 0.308 318 A C 0.181 177.790 177.584 0.040 0.000 1.254 318 A CA -0.473 51.594 52.037 0.050 0.000 0.874 318 A CB 0.375 19.399 19.000 0.041 0.000 1.153 318 A HN 0.692 nan 8.150 nan 0.000 0.527 319 S N 0.596 116.319 115.700 0.039 0.000 2.568 319 S HA 0.727 5.197 4.470 -0.000 0.000 0.302 319 S C -0.633 173.984 174.600 0.029 0.000 1.082 319 S CA -0.510 57.711 58.200 0.034 0.000 1.009 319 S CB 1.754 64.975 63.200 0.034 0.000 1.069 319 S HN 0.661 nan 8.310 nan 0.000 0.500 320 V N 1.073 121.004 119.914 0.028 0.000 2.623 320 V HA 0.661 4.781 4.120 -0.000 0.000 0.304 320 V C 0.652 176.760 176.094 0.023 0.000 1.054 320 V CA -0.263 62.052 62.300 0.024 0.000 0.882 320 V CB 1.109 32.948 31.823 0.026 0.000 1.002 320 V HN 1.239 nan 8.190 nan 0.000 0.424 321 G N 3.133 111.945 108.800 0.020 0.000 2.249 321 G HA2 0.061 4.021 3.960 -0.000 0.000 0.273 321 G HA3 0.061 4.021 3.960 -0.000 0.000 0.273 321 G C 1.216 176.128 174.900 0.020 0.000 1.036 321 G CA 0.813 45.925 45.100 0.018 0.000 0.824 321 G HN 2.489 nan 8.290 nan 0.000 0.504 322 G N -1.949 106.864 108.800 0.021 0.000 2.175 322 G HA2 0.088 4.048 3.960 -0.000 0.000 0.265 322 G HA3 0.088 4.048 3.960 -0.000 0.000 0.265 322 G C 0.789 175.703 174.900 0.024 0.000 0.979 322 G CA 1.815 46.928 45.100 0.022 0.000 0.663 322 G HN 2.708 nan 8.290 nan 0.000 0.533 323 T N -1.494 113.076 114.554 0.026 0.000 2.887 323 T HA 0.698 5.048 4.350 -0.000 0.000 0.288 323 T C -3.028 171.691 174.700 0.032 0.000 1.021 323 T CA -1.879 60.238 62.100 0.028 0.000 1.000 323 T CB 3.205 72.090 68.868 0.028 0.000 1.034 323 T HN -0.027 nan 8.240 nan 0.000 0.467 324 P HA 0.223 nan 4.420 nan 0.000 0.267 324 P C 0.272 177.596 177.300 0.039 0.000 1.205 324 P CA -0.136 62.986 63.100 0.036 0.000 0.765 324 P CB 1.034 32.756 31.700 0.037 0.000 0.828 325 S N 1.595 117.318 115.700 0.040 0.000 2.452 325 S HA 0.075 4.545 4.470 -0.000 0.000 0.225 325 S C 0.384 175.010 174.600 0.043 0.000 1.057 325 S CA 0.653 58.879 58.200 0.044 0.000 0.949 325 S CB -0.020 63.205 63.200 0.042 0.000 0.836 325 S HN 0.520 nan 8.310 nan 0.000 0.518 326 D N -1.065 119.356 120.400 0.035 0.000 2.596 326 D HA 0.726 5.366 4.640 -0.000 0.000 0.262 326 D C -1.575 174.743 176.300 0.030 0.000 1.210 326 D CA -0.075 53.941 54.000 0.027 0.000 0.873 326 D CB 2.072 42.874 40.800 0.003 0.000 1.408 326 D HN 0.340 nan 8.370 nan 0.000 0.441 327 A N -0.017 122.820 122.820 0.028 0.000 2.574 327 A HA 0.852 5.172 4.320 -0.000 0.000 0.297 327 A C -1.721 175.881 177.584 0.029 0.000 1.062 327 A CA -0.063 51.993 52.037 0.031 0.000 0.686 327 A CB 1.680 20.701 19.000 0.035 0.000 1.285 327 A HN 0.847 nan 8.150 nan 0.000 0.403 328 A N 1.583 124.421 122.820 0.029 0.000 2.465 328 A HA 0.731 5.051 4.320 -0.000 0.000 0.292 328 A C -0.970 176.631 177.584 0.028 0.000 1.041 328 A CA -0.501 51.553 52.037 0.029 0.000 0.718 328 A CB 1.163 20.179 19.000 0.027 0.000 1.266 328 A HN 0.676 nan 8.150 nan 0.000 0.403 329 K N 1.035 121.455 120.400 0.033 0.000 2.316 329 K HA 0.819 5.138 4.320 -0.000 0.000 0.251 329 K C -0.405 176.218 176.600 0.040 0.000 0.934 329 K CA -0.398 55.910 56.287 0.036 0.000 0.802 329 K CB 2.251 34.773 32.500 0.037 0.000 1.171 329 K HN 0.993 nan 8.250 nan 0.000 0.426 330 S N 1.239 116.967 115.700 0.047 0.000 2.672 330 S HA 0.534 5.004 4.470 -0.000 0.000 0.271 330 S C -1.341 173.297 174.600 0.064 0.000 1.171 330 S CA -1.137 57.090 58.200 0.044 0.000 0.817 330 S CB 1.657 64.880 63.200 0.038 0.000 1.150 330 S HN 0.473 nan 8.310 nan 0.000 0.478 331 K N -0.083 120.335 120.400 0.029 0.000 2.350 331 K HA 0.844 5.164 4.320 -0.000 0.000 0.241 331 K C -1.484 175.161 176.600 0.074 0.000 0.994 331 K CA -0.767 55.518 56.287 -0.004 0.000 0.839 331 K CB 1.734 34.176 32.500 -0.097 0.000 1.244 331 K HN 0.724 nan 8.250 nan 0.000 0.443 332 F N -2.525 117.368 119.950 -0.096 0.000 2.693 332 F HA 0.624 5.151 4.527 -0.000 0.000 0.309 332 F C -0.705 175.059 175.800 -0.060 0.000 1.129 332 F CA -1.133 56.797 58.000 -0.117 0.000 0.948 332 F CB 1.111 40.059 39.000 -0.087 0.000 1.315 332 F HN 0.493 nan 8.300 nan 0.000 0.447 333 G N 0.762 109.539 108.800 -0.038 0.000 2.420 333 G HA2 0.569 4.528 3.960 -0.000 0.000 0.331 333 G HA3 0.569 4.528 3.960 -0.000 0.000 0.331 333 G C -1.748 173.231 174.900 0.131 0.000 1.168 333 G CA -1.117 43.935 45.100 -0.080 0.000 0.936 333 G HN 0.692 nan 8.290 nan 0.000 0.479 334 V N 2.885 122.929 119.914 0.218 0.000 2.339 334 V HA 0.541 4.660 4.120 -0.000 0.000 0.261 334 V C 0.444 176.593 176.094 0.091 0.000 1.058 334 V CA -0.383 62.034 62.300 0.195 0.000 0.897 334 V CB 0.047 32.026 31.823 0.260 0.000 1.052 334 V HN 0.788 nan 8.190 nan 0.000 0.480 335 R N 3.309 123.818 120.500 0.015 0.000 2.561 335 R HA 0.400 4.740 4.340 -0.000 0.000 0.266 335 R C -1.914 174.352 176.300 -0.057 0.000 1.091 335 R CA -0.575 55.506 56.100 -0.033 0.000 0.927 335 R CB 2.470 32.778 30.300 0.014 0.000 1.240 335 R HN 0.683 nan 8.270 nan 0.000 0.449 336 D N 2.137 122.493 120.400 -0.073 0.000 2.181 336 D HA 0.471 5.111 4.640 -0.000 0.000 0.248 336 D C -1.366 174.924 176.300 -0.016 0.000 1.020 336 D CA -0.461 53.512 54.000 -0.046 0.000 0.891 336 D CB 2.021 42.800 40.800 -0.035 0.000 1.187 336 D HN 0.307 nan 8.370 nan 0.000 0.443 337 V N 2.585 122.494 119.914 -0.008 0.000 2.841 337 V HA 0.617 4.737 4.120 -0.000 0.000 0.310 337 V C -1.629 174.481 176.094 0.026 0.000 1.090 337 V CA -0.515 61.810 62.300 0.041 0.000 0.930 337 V CB 1.659 33.527 31.823 0.075 0.000 1.014 337 V HN 0.638 nan 8.190 nan 0.000 0.425 338 K N 4.238 124.669 120.400 0.052 0.000 2.477 338 K HA 0.891 5.211 4.320 -0.000 0.000 0.255 338 K C -1.186 175.384 176.600 -0.049 0.000 0.952 338 K CA -0.524 55.762 56.287 -0.001 0.000 0.826 338 K CB 2.479 34.981 32.500 0.004 0.000 1.331 338 K HN 0.951 nan 8.250 nan 0.000 0.437 339 A N 1.614 124.326 122.820 -0.180 0.000 2.605 339 A HA 0.446 4.766 4.320 -0.000 0.000 0.293 339 A C -0.448 176.979 177.584 -0.261 0.000 1.216 339 A CA -0.580 51.202 52.037 -0.425 0.000 0.742 339 A CB 0.519 18.961 19.000 -0.929 0.000 1.170 339 A HN 0.687 nan 8.150 nan 0.000 0.443 340 T N -0.383 114.079 114.554 -0.152 0.000 2.905 340 T HA 0.786 5.136 4.350 -0.000 0.000 0.283 340 T C -0.186 174.480 174.700 -0.057 0.000 1.031 340 T CA -0.849 61.198 62.100 -0.088 0.000 1.002 340 T CB 0.845 69.689 68.868 -0.040 0.000 1.200 340 T HN 0.373 nan 8.240 nan 0.000 0.560 341 L N 2.801 124.007 121.223 -0.029 0.000 2.276 341 L HA 0.423 4.763 4.340 -0.000 0.000 0.286 341 L C 0.598 177.480 176.870 0.020 0.000 1.061 341 L CA -1.080 53.760 54.840 0.001 0.000 0.807 341 L CB 0.728 42.788 42.059 0.001 0.000 1.177 341 L HN 0.804 nan 8.230 nan 0.000 0.429 342 N N 0.583 119.309 118.700 0.044 0.000 2.366 342 N HA 0.034 4.774 4.740 -0.000 0.000 0.277 342 N C 0.894 176.425 175.510 0.035 0.000 1.275 342 N CA -0.188 52.888 53.050 0.044 0.000 0.964 342 N CB 0.216 38.740 38.487 0.061 0.000 1.167 342 N HN 0.527 nan 8.380 nan 0.000 0.568 343 S N -2.230 113.486 115.700 0.027 0.000 2.507 343 S HA -0.044 4.426 4.470 -0.000 0.000 0.235 343 S C 0.958 175.571 174.600 0.021 0.000 0.988 343 S CA 0.450 58.661 58.200 0.018 0.000 0.944 343 S CB -0.597 62.609 63.200 0.009 0.000 0.762 343 S HN 0.504 nan 8.310 nan 0.000 0.526 344 S N 0.411 116.132 115.700 0.035 0.000 2.556 344 S HA 0.482 4.951 4.470 -0.000 0.000 0.216 344 S C 1.409 176.048 174.600 0.065 0.000 0.970 344 S CA 0.228 58.454 58.200 0.043 0.000 0.912 344 S CB 0.198 63.432 63.200 0.056 0.000 0.790 344 S HN 0.985 nan 8.310 nan 0.000 0.504 345 G N 1.346 110.184 108.800 0.062 0.000 2.159 345 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.256 345 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.256 345 G C 0.257 175.216 174.900 0.099 0.000 0.977 345 G CA -0.266 44.876 45.100 0.070 0.000 0.652 345 G HN 0.786 nan 8.290 nan 0.000 0.531 346 G N -0.315 108.558 108.800 0.122 0.000 2.372 346 G HA2 0.573 4.533 3.960 -0.000 0.000 0.283 346 G HA3 0.573 4.533 3.960 -0.000 0.000 0.283 346 G C 0.127 175.112 174.900 0.141 0.000 1.177 346 G CA -0.254 44.945 45.100 0.165 0.000 0.842 346 G HN 0.557 nan 8.290 nan 0.000 0.503 347 R N 0.967 121.555 120.500 0.147 0.000 2.370 347 R HA 0.270 4.610 4.340 -0.000 0.000 0.309 347 R C -0.151 176.256 176.300 0.178 0.000 1.059 347 R CA -0.094 56.037 56.100 0.053 0.000 0.981 347 R CB 0.594 30.830 30.300 -0.105 0.000 0.972 347 R HN 0.484 nan 8.270 nan 0.000 0.437 348 Q N 4.357 124.198 119.800 0.068 0.000 2.327 348 Q HA 0.263 4.603 4.340 -0.000 0.000 0.270 348 Q C -1.690 174.365 176.000 0.091 0.000 1.022 348 Q CA -0.468 55.444 55.803 0.182 0.000 0.773 348 Q CB 0.694 29.535 28.738 0.172 0.000 1.251 348 Q HN 0.634 nan 8.270 nan 0.000 0.457 349 Y N 1.224 121.647 120.300 0.206 0.000 2.307 349 Y HA 0.574 5.124 4.550 -0.000 0.000 0.324 349 Y C 0.493 176.487 175.900 0.156 0.000 1.238 349 Y CA 0.198 58.394 58.100 0.160 0.000 1.280 349 Y CB 1.701 40.269 38.460 0.179 0.000 1.248 349 Y HN 0.705 nan 8.280 nan 0.000 0.508 350 S N 0.205 116.073 115.700 0.281 0.000 2.536 350 S HA 0.775 5.244 4.470 -0.000 0.000 0.271 350 S C -1.700 173.019 174.600 0.198 0.000 1.134 350 S CA -0.934 57.399 58.200 0.221 0.000 0.897 350 S CB 1.329 64.626 63.200 0.162 0.000 1.094 350 S HN 0.331 nan 8.310 nan 0.000 0.473 351 V N 2.490 122.520 119.914 0.192 0.000 2.448 351 V HA 0.504 4.624 4.120 -0.000 0.000 0.295 351 V C 0.159 176.296 176.094 0.071 0.000 1.025 351 V CA -0.824 61.561 62.300 0.143 0.000 0.859 351 V CB 0.568 32.510 31.823 0.198 0.000 0.988 351 V HN 1.146 nan 8.190 nan 0.000 0.431 352 N N 3.602 122.277 118.700 -0.043 0.000 2.727 352 N HA -0.225 4.514 4.740 -0.000 0.000 0.249 352 N C 1.088 176.633 175.510 0.059 0.000 1.048 352 N CA 0.546 53.521 53.050 -0.125 0.000 0.714 352 N CB -0.836 37.286 38.487 -0.607 0.000 0.959 352 N HN 1.456 nan 8.380 nan 0.000 0.544 353 G N -1.115 107.737 108.800 0.087 0.000 2.168 353 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.263 353 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.263 353 G C -0.125 174.869 174.900 0.157 0.000 0.977 353 G CA 0.583 45.752 45.100 0.114 0.000 0.659 353 G HN 0.292 nan 8.290 nan 0.000 0.533 354 K N 1.484 122.008 120.400 0.207 0.000 2.253 354 K HA 0.425 4.745 4.320 -0.000 0.000 0.277 354 K C -2.281 174.448 176.600 0.215 0.000 1.053 354 K CA -2.264 54.157 56.287 0.224 0.000 0.892 354 K CB 1.951 34.627 32.500 0.294 0.000 1.102 354 K HN 0.217 nan 8.250 nan 0.000 0.469 355 P HA 0.192 nan 4.420 nan 0.000 0.271 355 P C -0.623 176.851 177.300 0.289 0.000 1.218 355 P CA -0.574 62.678 63.100 0.254 0.000 0.780 355 P CB 0.760 32.611 31.700 0.252 0.000 0.901 356 L N 2.628 124.013 121.223 0.270 0.000 2.401 356 L HA 0.380 4.720 4.340 -0.000 0.000 0.266 356 L C -0.358 176.479 176.870 -0.056 0.000 0.991 356 L CA -1.048 53.864 54.840 0.121 0.000 0.818 356 L CB 1.514 43.644 42.059 0.117 0.000 1.321 356 L HN 0.255 nan 8.230 nan 0.000 0.413 357 L N 4.492 125.350 121.223 -0.609 0.000 2.361 357 L HA 0.332 4.672 4.340 -0.000 0.000 0.278 357 L C -0.227 176.487 176.870 -0.259 0.000 1.113 357 L CA 0.254 54.700 54.840 -0.657 0.000 0.849 357 L CB 0.122 41.544 42.059 -1.062 0.000 1.155 357 L HN 0.278 nan 8.230 nan 0.000 0.452 358 I N 6.396 126.877 120.570 -0.148 0.000 2.517 358 I HA 0.106 4.276 4.170 -0.000 0.000 0.285 358 I C 0.433 176.447 176.117 -0.173 0.000 1.106 358 I CA 0.514 61.744 61.300 -0.117 0.000 1.402 358 I CB -0.242 37.748 38.000 -0.017 0.000 1.399 358 I HN 0.625 nan 8.210 nan 0.000 0.535 359 R N 4.720 125.173 120.500 -0.078 0.000 2.412 359 R HA 0.638 4.978 4.340 -0.000 0.000 0.304 359 R C 0.148 176.496 176.300 0.079 0.000 1.066 359 R CA -0.416 55.696 56.100 0.021 0.000 0.923 359 R CB 1.939 32.257 30.300 0.029 0.000 1.156 359 R HN 0.858 nan 8.270 nan 0.000 0.513 360 G N 0.356 109.237 108.800 0.134 0.000 2.911 360 G HA2 0.744 4.704 3.960 -0.000 0.000 0.299 360 G HA3 0.744 4.704 3.960 -0.000 0.000 0.299 360 G C -1.182 173.834 174.900 0.192 0.000 1.283 360 G CA -0.753 44.422 45.100 0.124 0.000 0.805 360 G HN 0.539 nan 8.290 nan 0.000 0.548 361 G N -1.803 107.087 108.800 0.150 0.000 2.696 361 G HA2 0.625 4.585 3.960 -0.000 0.000 0.295 361 G HA3 0.625 4.585 3.960 -0.000 0.000 0.295 361 G C -0.312 174.633 174.900 0.075 0.000 1.398 361 G CA 0.133 45.320 45.100 0.145 0.000 0.920 361 G HN 1.163 nan 8.290 nan 0.000 0.492 362 G N -0.370 108.398 108.800 -0.054 0.000 2.360 362 G HA2 0.424 4.384 3.960 -0.000 0.000 0.279 362 G HA3 0.424 4.384 3.960 -0.000 0.000 0.279 362 G C -0.561 174.141 174.900 -0.330 0.000 1.189 362 G CA -0.118 44.839 45.100 -0.237 0.000 0.941 362 G HN 0.633 nan 8.290 nan 0.000 0.445 363 Y N 2.540 122.711 120.300 -0.214 0.000 2.304 363 Y HA 0.549 5.099 4.550 -0.000 0.000 0.328 363 Y C 0.493 176.262 175.900 -0.219 0.000 1.123 363 Y CA -0.172 57.830 58.100 -0.162 0.000 1.218 363 Y CB 1.781 40.253 38.460 0.021 0.000 1.207 363 Y HN 0.488 nan 8.280 nan 0.000 0.495 364 T N 8.645 122.627 114.554 -0.953 0.000 2.876 364 T HA 0.507 4.857 4.350 -0.000 0.000 0.289 364 T C -2.812 171.399 174.700 -0.813 0.000 1.014 364 T CA -2.270 59.452 62.100 -0.631 0.000 0.986 364 T CB 1.346 70.027 68.868 -0.312 0.000 1.021 364 T HN 0.554 nan 8.240 nan 0.000 0.458 365 P HA 0.242 nan 4.420 nan 0.000 0.289 365 P C -0.566 176.796 177.300 0.104 0.000 1.299 365 P CA -0.307 62.826 63.100 0.054 0.000 0.766 365 P CB 0.384 32.260 31.700 0.293 0.000 1.226 366 D N -1.002 119.481 120.400 0.137 0.000 2.443 366 D HA -0.056 4.584 4.640 -0.000 0.000 0.239 366 D C 1.244 177.477 176.300 -0.111 0.000 1.136 366 D CA -0.252 53.779 54.000 0.053 0.000 0.879 366 D CB 0.184 41.067 40.800 0.139 0.000 1.195 366 D HN 0.061 nan 8.370 nan 0.000 0.443 367 L N 3.527 124.396 121.223 -0.591 0.000 2.127 367 L HA -0.046 4.294 4.340 -0.000 0.000 0.211 367 L C 0.851 177.126 176.870 -0.993 0.000 1.089 367 L CA 1.670 55.723 54.840 -1.313 0.000 0.757 367 L CB -0.406 40.671 42.059 -1.635 0.000 0.899 367 L HN 0.521 nan 8.230 nan 0.000 0.434 368 F N -1.028 118.963 119.950 0.068 0.000 2.639 368 F HA 0.354 4.881 4.527 -0.000 0.000 0.300 368 F C 1.018 176.930 175.800 0.186 0.000 1.109 368 F CA -0.748 57.333 58.000 0.135 0.000 1.335 368 F CB -0.580 38.481 39.000 0.102 0.000 1.014 368 F HN -0.180 nan 8.300 nan 0.000 0.537 369 L N -0.020 121.374 121.223 0.286 0.000 3.843 369 L HA -0.308 4.032 4.340 -0.000 0.000 0.411 369 L C 0.234 177.287 176.870 0.305 0.000 1.205 369 L CA 0.328 55.355 54.840 0.313 0.000 0.945 369 L CB -1.613 40.619 42.059 0.289 0.000 1.929 369 L HN 0.258 nan 8.230 nan 0.000 0.934 370 R N 0.813 121.483 120.500 0.282 0.000 2.370 370 R HA 0.122 4.462 4.340 -0.000 0.000 0.309 370 R C 0.096 176.566 176.300 0.284 0.000 1.059 370 R CA -0.166 56.089 56.100 0.258 0.000 0.981 370 R CB 0.659 31.075 30.300 0.194 0.000 0.972 370 R HN 0.283 nan 8.270 nan 0.000 0.437 371 W N 5.528 126.913 121.300 0.142 0.000 2.390 371 W HA 0.277 4.937 4.660 -0.000 0.000 0.312 371 W C -1.121 175.475 176.519 0.128 0.000 1.123 371 W CA -0.482 56.949 57.345 0.144 0.000 1.202 371 W CB 1.231 30.779 29.460 0.146 0.000 1.251 371 W HN 0.508 nan 8.180 nan 0.000 0.511 372 N N 4.429 122.493 118.700 -1.061 0.000 2.503 372 N HA -0.028 4.712 4.740 -0.000 0.000 0.287 372 N C 0.221 175.081 175.510 -1.083 0.000 1.096 372 N CA -0.088 52.460 53.050 -0.836 0.000 0.936 372 N CB 1.817 40.107 38.487 -0.329 0.000 1.570 372 N HN 0.722 nan 8.380 nan 0.000 0.504 373 E N 1.867 121.636 120.200 -0.719 0.000 2.077 373 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 373 E C 0.715 177.184 176.600 -0.218 0.000 0.989 373 E CA 1.667 57.862 56.400 -0.341 0.000 0.800 373 E CB 0.301 30.090 29.700 0.149 0.000 0.746 373 E HN 0.652 nan 8.360 nan 0.000 0.452 374 T N 0.646 115.100 114.554 -0.166 0.000 2.684 374 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 374 T C 1.850 176.459 174.700 -0.152 0.000 1.036 374 T CA 1.413 63.442 62.100 -0.119 0.000 1.148 374 T CB -0.355 68.463 68.868 -0.084 0.000 0.863 374 T HN 0.349 nan 8.240 nan 0.000 0.436 375 A N 1.458 124.158 122.820 -0.199 0.000 1.908 375 A HA 0.101 4.420 4.320 -0.000 0.000 0.218 375 A C 2.664 180.164 177.584 -0.140 0.000 1.181 375 A CA 1.961 53.895 52.037 -0.172 0.000 0.627 375 A CB -1.168 17.735 19.000 -0.161 0.000 0.818 375 A HN 0.519 nan 8.150 nan 0.000 0.445 376 A N -0.132 122.568 122.820 -0.200 0.000 1.883 376 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 376 A C 2.528 180.092 177.584 -0.033 0.000 1.186 376 A CA 2.290 54.318 52.037 -0.014 0.000 0.624 376 A CB -1.082 17.918 19.000 0.000 0.000 0.822 376 A HN 1.108 nan 8.150 nan 0.000 0.444 377 A N 0.029 122.798 122.820 -0.084 0.000 1.902 377 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 377 A C 1.760 179.276 177.584 -0.113 0.000 1.181 377 A CA 1.914 53.897 52.037 -0.090 0.000 0.623 377 A CB -0.644 18.318 19.000 -0.063 0.000 0.818 377 A HN 0.472 nan 8.150 nan 0.000 0.443 378 D N -0.035 120.272 120.400 -0.155 0.000 2.123 378 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 378 D C 1.934 177.997 176.300 -0.394 0.000 0.992 378 D CA 1.570 55.411 54.000 -0.264 0.000 0.833 378 D CB -0.272 40.339 40.800 -0.316 0.000 0.954 378 D HN 0.535 nan 8.370 nan 0.000 0.455 379 K N 0.075 120.311 120.400 -0.274 0.000 2.057 379 K HA 0.001 4.321 4.320 -0.000 0.000 0.206 379 K C 2.365 178.976 176.600 0.018 0.000 1.050 379 K CA 0.451 56.624 56.287 -0.191 0.000 0.935 379 K CB -0.105 32.549 32.500 0.256 0.000 0.715 379 K HN 0.122 nan 8.250 nan 0.000 0.439 380 L N 1.222 122.437 121.223 -0.014 0.000 2.093 380 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 380 L C 2.245 179.109 176.870 -0.010 0.000 1.085 380 L CA 1.309 56.115 54.840 -0.057 0.000 0.755 380 L CB -0.243 41.672 42.059 -0.239 0.000 0.904 380 L HN 0.110 nan 8.230 nan 0.000 0.435 381 K N -1.039 119.350 120.400 -0.018 0.000 2.097 381 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 381 K C 2.130 178.827 176.600 0.162 0.000 1.049 381 K CA 1.349 57.661 56.287 0.043 0.000 0.933 381 K CB -0.206 32.312 32.500 0.031 0.000 0.717 381 K HN 0.121 nan 8.250 nan 0.000 0.442 382 Y N 0.951 121.207 120.300 -0.073 0.000 2.224 382 Y HA -0.210 4.340 4.550 -0.000 0.000 0.289 382 Y C 2.273 178.204 175.900 0.053 0.000 1.146 382 Y CA 0.242 58.331 58.100 -0.019 0.000 1.182 382 Y CB -0.812 37.495 38.460 -0.255 0.000 0.983 382 Y HN -0.202 nan 8.280 nan 0.000 0.524 383 V N 0.199 120.251 119.914 0.229 0.000 2.250 383 V HA -0.359 3.761 4.120 -0.000 0.000 0.250 383 V C 2.450 178.557 176.094 0.020 0.000 1.060 383 V CA 2.081 64.454 62.300 0.123 0.000 1.030 383 V CB -0.982 30.906 31.823 0.109 0.000 0.643 383 V HN 0.349 nan 8.190 nan 0.000 0.445 384 L N 0.052 121.290 121.223 0.025 0.000 2.093 384 L HA -0.161 4.178 4.340 -0.000 0.000 0.208 384 L C 2.509 179.367 176.870 -0.020 0.000 1.085 384 L CA 1.764 56.597 54.840 -0.010 0.000 0.755 384 L CB -0.854 41.201 42.059 -0.007 0.000 0.904 384 L HN 0.487 nan 8.230 nan 0.000 0.435 385 N N 0.978 119.688 118.700 0.017 0.000 2.149 385 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 385 N C 1.876 177.342 175.510 -0.073 0.000 1.019 385 N CA 1.149 54.204 53.050 0.009 0.000 0.857 385 N CB 0.065 38.581 38.487 0.048 0.000 0.997 385 N HN 0.333 nan 8.380 nan 0.000 0.426 386 L N -0.123 120.998 121.223 -0.171 0.000 2.465 386 L HA 0.042 4.382 4.340 -0.000 0.000 0.224 386 L C 1.530 178.212 176.870 -0.313 0.000 1.145 386 L CA 0.724 55.347 54.840 -0.362 0.000 0.834 386 L CB -0.245 41.541 42.059 -0.455 0.000 0.944 386 L HN 0.354 nan 8.230 nan 0.000 0.451 387 G N -0.018 108.661 108.800 -0.203 0.000 2.159 387 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.256 387 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.256 387 G C 0.287 175.069 174.900 -0.198 0.000 0.977 387 G CA -0.027 44.959 45.100 -0.189 0.000 0.652 387 G HN 0.221 nan 8.290 nan 0.000 0.531 388 L N 0.154 121.257 121.223 -0.199 0.000 2.466 388 L HA 0.403 4.742 4.340 -0.000 0.000 0.257 388 L C 1.530 178.357 176.870 -0.072 0.000 1.189 388 L CA 0.035 54.783 54.840 -0.153 0.000 0.813 388 L CB 0.551 42.534 42.059 -0.128 0.000 1.118 388 L HN 0.331 nan 8.230 nan 0.000 0.471 389 N N -2.038 116.638 118.700 -0.040 0.000 2.197 389 N HA 0.069 4.809 4.740 -0.000 0.000 0.201 389 N C -0.309 175.213 175.510 0.020 0.000 1.148 389 N CA -0.153 52.891 53.050 -0.010 0.000 0.883 389 N CB 0.849 39.329 38.487 -0.011 0.000 1.012 389 N HN 0.501 nan 8.380 nan 0.000 0.507 390 T N 0.184 114.752 114.554 0.024 0.000 2.923 390 T HA 0.567 4.917 4.350 -0.000 0.000 0.311 390 T C -1.130 173.614 174.700 0.073 0.000 1.183 390 T CA -0.769 61.357 62.100 0.044 0.000 1.020 390 T CB 2.359 71.242 68.868 0.025 0.000 1.165 390 T HN 0.103 nan 8.240 nan 0.000 0.482 391 V N 0.402 120.371 119.914 0.092 0.000 2.680 391 V HA 0.794 4.914 4.120 -0.000 0.000 0.309 391 V C -0.272 175.903 176.094 0.135 0.000 1.052 391 V CA -1.229 61.152 62.300 0.134 0.000 0.908 391 V CB 1.772 33.702 31.823 0.179 0.000 1.001 391 V HN 0.903 nan 8.190 nan 0.000 0.431 392 R N 3.090 123.675 120.500 0.142 0.000 2.368 392 R HA 0.726 5.066 4.340 -0.000 0.000 0.302 392 R C -1.596 174.791 176.300 0.145 0.000 1.002 392 R CA -0.752 55.422 56.100 0.124 0.000 0.929 392 R CB 1.413 31.792 30.300 0.132 0.000 1.073 392 R HN 0.786 nan 8.270 nan 0.000 0.464 393 L N 3.881 125.173 121.223 0.116 0.000 2.313 393 L HA 0.286 4.626 4.340 -0.000 0.000 0.273 393 L C -0.066 176.867 176.870 0.105 0.000 1.028 393 L CA 0.023 54.952 54.840 0.147 0.000 0.871 393 L CB 1.496 43.642 42.059 0.145 0.000 1.242 393 L HN 0.639 nan 8.230 nan 0.000 0.434 394 E N 3.491 123.839 120.200 0.247 0.000 1.858 394 E HA 0.400 4.750 4.350 -0.000 0.000 0.267 394 E C 0.914 177.718 176.600 0.340 0.000 1.215 394 E CA 0.453 57.025 56.400 0.287 0.000 0.952 394 E CB 0.149 30.174 29.700 0.542 0.000 1.058 394 E HN 0.755 nan 8.360 nan 0.000 0.407 395 G N 4.188 113.037 108.800 0.081 0.000 2.601 395 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.261 395 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.261 395 G C -0.123 174.890 174.900 0.187 0.000 1.289 395 G CA 0.178 45.281 45.100 0.005 0.000 0.920 395 G HN 0.993 nan 8.290 nan 0.000 0.571 396 H N -2.099 117.024 119.070 0.089 0.000 2.741 396 H HA -0.151 4.405 4.556 -0.000 0.000 0.305 396 H C 0.987 176.414 175.328 0.165 0.000 1.169 396 H CA 0.844 56.930 56.048 0.064 0.000 1.144 396 H CB -2.013 27.727 29.762 -0.037 0.000 1.397 396 H HN 0.726 nan 8.280 nan 0.000 0.409 397 I N 1.164 121.945 120.570 0.350 0.000 2.505 397 I HA -0.001 4.169 4.170 -0.000 0.000 0.287 397 I C 1.136 177.433 176.117 0.301 0.000 1.104 397 I CA 0.070 61.542 61.300 0.286 0.000 1.387 397 I CB 0.383 38.477 38.000 0.156 0.000 1.404 397 I HN 0.226 nan 8.210 nan 0.000 0.528 398 E N 7.685 127.989 120.200 0.173 0.000 2.422 398 E HA 0.124 4.474 4.350 -0.000 0.000 0.260 398 E C -2.077 174.628 176.600 0.175 0.000 1.108 398 E CA -1.295 55.138 56.400 0.055 0.000 0.943 398 E CB 0.122 29.532 29.700 -0.483 0.000 0.961 398 E HN 0.317 nan 8.360 nan 0.000 0.443 399 P HA -0.043 nan 4.420 nan 0.000 0.270 399 P C 0.169 177.488 177.300 0.032 0.000 1.227 399 P CA -0.006 63.002 63.100 -0.153 0.000 0.788 399 P CB 0.445 31.753 31.700 -0.655 0.000 0.926 400 D N 0.590 121.023 120.400 0.054 0.000 2.133 400 D HA -0.190 4.450 4.640 -0.000 0.000 0.195 400 D C 1.505 177.920 176.300 0.193 0.000 0.997 400 D CA 1.638 55.741 54.000 0.172 0.000 0.840 400 D CB -0.336 40.555 40.800 0.152 0.000 0.947 400 D HN 0.503 nan 8.370 nan 0.000 0.452 401 E N -0.448 119.823 120.200 0.119 0.000 2.153 401 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 401 E C 1.709 178.474 176.600 0.275 0.000 0.988 401 E CA 0.266 56.800 56.400 0.224 0.000 0.811 401 E CB -0.354 29.555 29.700 0.347 0.000 0.746 401 E HN 0.340 nan 8.360 nan 0.000 0.466 402 F N -0.009 120.023 119.950 0.137 0.000 2.126 402 F HA -0.221 4.306 4.527 -0.000 0.000 0.299 402 F C 1.518 177.150 175.800 -0.281 0.000 1.096 402 F CA 1.432 59.422 58.000 -0.017 0.000 1.255 402 F CB -0.127 38.770 39.000 -0.172 0.000 0.997 402 F HN -0.025 nan 8.300 nan 0.000 0.479 403 F N 0.523 120.458 119.950 -0.026 0.000 2.259 403 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 403 F C 2.309 177.978 175.800 -0.219 0.000 1.088 403 F CA 1.219 59.029 58.000 -0.316 0.000 1.358 403 F CB -0.765 37.780 39.000 -0.758 0.000 1.040 403 F HN -0.064 nan 8.300 nan 0.000 0.505 404 D N 0.520 120.987 120.400 0.112 0.000 2.117 404 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 404 D C 2.388 178.737 176.300 0.082 0.000 0.987 404 D CA 1.353 55.474 54.000 0.202 0.000 0.829 404 D CB -0.337 40.584 40.800 0.202 0.000 0.961 404 D HN 0.263 nan 8.370 nan 0.000 0.460 405 I N 1.191 121.751 120.570 -0.015 0.000 2.252 405 I HA -0.221 3.948 4.170 -0.000 0.000 0.245 405 I C 2.533 178.579 176.117 -0.119 0.000 1.102 405 I CA 0.951 62.206 61.300 -0.074 0.000 1.385 405 I CB -0.171 37.755 38.000 -0.123 0.000 1.064 405 I HN -0.094 nan 8.210 nan 0.000 0.414 406 A N 0.538 123.205 122.820 -0.255 0.000 1.902 406 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 406 A C 1.942 179.588 177.584 0.103 0.000 1.181 406 A CA 2.068 53.996 52.037 -0.181 0.000 0.623 406 A CB -0.608 18.190 19.000 -0.336 0.000 0.818 406 A HN 0.351 nan 8.150 nan 0.000 0.443 407 D N 0.404 120.899 120.400 0.157 0.000 2.104 407 D HA -0.136 4.503 4.640 -0.000 0.000 0.194 407 D C 1.304 177.867 176.300 0.439 0.000 0.994 407 D CA 1.561 55.760 54.000 0.331 0.000 0.830 407 D CB -0.474 40.442 40.800 0.193 0.000 0.959 407 D HN 0.384 nan 8.370 nan 0.000 0.452 408 D N -0.050 120.475 120.400 0.208 0.000 2.178 408 D HA -0.041 4.598 4.640 -0.000 0.000 0.202 408 D C 2.179 178.531 176.300 0.086 0.000 0.974 408 D CA 0.361 54.442 54.000 0.135 0.000 0.841 408 D CB -0.071 40.768 40.800 0.065 0.000 0.953 408 D HN 0.248 nan 8.370 nan 0.000 0.478 409 L N -0.844 120.420 121.223 0.068 0.000 2.375 409 L HA 0.175 4.515 4.340 -0.000 0.000 0.215 409 L C 1.323 178.198 176.870 0.008 0.000 1.108 409 L CA 0.502 55.350 54.840 0.014 0.000 0.830 409 L CB -0.000 42.046 42.059 -0.021 0.000 0.959 409 L HN 0.109 nan 8.230 nan 0.000 0.457 410 G N 0.807 109.667 108.800 0.099 0.000 2.171 410 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.238 410 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.238 410 G C -0.065 174.894 174.900 0.097 0.000 1.039 410 G CA -0.097 45.005 45.100 0.004 0.000 0.759 410 G HN 0.083 nan 8.290 nan 0.000 0.501 411 V N 1.886 121.887 119.914 0.144 0.000 2.364 411 V HA 0.469 4.588 4.120 -0.000 0.000 0.272 411 V C 1.163 177.348 176.094 0.153 0.000 1.036 411 V CA -0.667 61.684 62.300 0.085 0.000 0.880 411 V CB 1.339 33.149 31.823 -0.022 0.000 0.991 411 V HN 0.366 nan 8.190 nan 0.000 0.460 412 L N 5.156 126.475 121.223 0.159 0.000 2.426 412 L HA 0.443 4.783 4.340 -0.000 0.000 0.271 412 L C 0.686 177.620 176.870 0.107 0.000 1.169 412 L CA 0.108 55.044 54.840 0.161 0.000 0.836 412 L CB 0.901 43.032 42.059 0.120 0.000 1.112 412 L HN 0.786 nan 8.230 nan 0.000 0.465 413 T N 0.383 115.017 114.554 0.134 0.000 2.863 413 T HA 0.639 4.989 4.350 -0.000 0.000 0.285 413 T C -0.346 174.447 174.700 0.155 0.000 1.009 413 T CA -0.828 61.379 62.100 0.177 0.000 0.989 413 T CB 1.720 70.787 68.868 0.333 0.000 1.004 413 T HN 0.505 nan 8.240 nan 0.000 0.455 414 M N 3.857 123.533 119.600 0.128 0.000 2.634 414 M HA 0.304 4.784 4.480 -0.000 0.000 0.211 414 M C -2.539 173.773 176.300 0.020 0.000 1.019 414 M CA -1.936 53.413 55.300 0.081 0.000 0.834 414 M CB 1.401 34.038 32.600 0.061 0.000 1.376 414 M HN 0.478 nan 8.290 nan 0.000 0.465 415 P HA 0.617 nan 4.420 nan 0.000 0.276 415 P C -0.059 176.757 177.300 -0.808 0.000 1.261 415 P CA 0.148 63.099 63.100 -0.248 0.000 0.800 415 P CB 1.649 33.262 31.700 -0.145 0.000 1.066 416 G N -0.801 107.347 108.800 -1.087 0.000 2.342 416 G HA2 0.310 4.270 3.960 -0.000 0.000 0.297 416 G HA3 0.310 4.270 3.960 -0.000 0.000 0.297 416 G C -1.957 172.383 174.900 -0.933 0.000 1.313 416 G CA -0.981 43.136 45.100 -1.638 0.000 0.830 416 G HN 0.399 nan 8.290 nan 0.000 0.506 417 W N 1.017 121.966 121.300 -0.586 0.000 2.129 417 W HA 0.497 5.157 4.660 -0.000 0.000 0.349 417 W C 1.051 177.374 176.519 -0.326 0.000 1.279 417 W CA -0.578 56.426 57.345 -0.569 0.000 1.306 417 W CB 0.805 29.976 29.460 -0.482 0.000 1.140 417 W HN 0.665 nan 8.180 nan 0.000 0.613 418 E N 0.987 121.154 120.200 -0.055 0.000 2.250 418 E HA 0.411 4.761 4.350 -0.000 0.000 0.269 418 E C 0.070 176.753 176.600 0.138 0.000 1.018 418 E CA -0.910 55.516 56.400 0.044 0.000 0.873 418 E CB 1.163 30.848 29.700 -0.024 0.000 1.134 418 E HN 0.555 nan 8.360 nan 0.000 0.403 419 C N 0.062 119.451 119.300 0.148 0.000 2.480 419 C HA 0.450 4.910 4.460 -0.000 0.000 0.344 419 C C 1.010 176.088 174.990 0.147 0.000 1.380 419 C CA 0.052 59.175 59.018 0.175 0.000 2.386 419 C CB -0.475 27.353 27.740 0.147 0.000 2.210 419 C HN 1.054 nan 8.230 nan 0.000 0.640 420 C N 1.210 120.602 119.300 0.152 0.000 4.534 420 C HA -0.016 4.444 4.460 -0.000 0.000 0.275 420 C C -0.108 174.927 174.990 0.074 0.000 1.291 420 C CA 1.280 60.359 59.018 0.102 0.000 1.876 420 C CB -3.587 24.200 27.740 0.079 0.000 1.339 420 C HN 1.256 nan 8.230 nan 0.000 0.746 421 D N -1.730 118.733 120.400 0.105 0.000 3.309 421 D HA 0.391 5.031 4.640 -0.000 0.000 0.335 421 D C 0.562 176.916 176.300 0.089 0.000 1.393 421 D CA -0.061 53.984 54.000 0.075 0.000 0.963 421 D CB -0.050 40.777 40.800 0.045 0.000 1.431 421 D HN -0.170 nan 8.370 nan 0.000 0.583 422 K N -0.353 120.048 120.400 0.001 0.000 2.113 422 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 422 K C 1.743 178.366 176.600 0.038 0.000 1.047 422 K CA 1.930 58.163 56.287 -0.091 0.000 0.928 422 K CB -0.715 31.582 32.500 -0.338 0.000 0.716 422 K HN 0.543 nan 8.250 nan 0.000 0.446 423 W N 1.144 122.504 121.300 0.099 0.000 2.321 423 W HA -0.135 4.524 4.660 -0.000 0.000 0.306 423 W C 1.528 178.204 176.519 0.262 0.000 1.217 423 W CA 1.575 59.031 57.345 0.185 0.000 1.257 423 W CB -0.105 29.385 29.460 0.050 0.000 1.145 423 W HN 0.207 nan 8.180 nan 0.000 0.509 424 E N -0.543 119.871 120.200 0.356 0.000 2.444 424 E HA 0.093 4.443 4.350 -0.000 0.000 0.191 424 E C 2.194 178.801 176.600 0.012 0.000 1.041 424 E CA 0.205 56.709 56.400 0.173 0.000 0.883 424 E CB 0.002 29.830 29.700 0.213 0.000 1.024 424 E HN 0.305 nan 8.360 nan 0.000 0.470 425 G N 1.610 110.472 108.800 0.103 0.000 2.450 425 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.220 425 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.220 425 G C 1.623 176.458 174.900 -0.108 0.000 1.130 425 G CA 0.623 45.751 45.100 0.046 0.000 0.760 425 G HN 0.154 nan 8.290 nan 0.000 0.557 426 Q N 0.246 119.825 119.800 -0.369 0.000 2.389 426 Q HA 0.068 4.408 4.340 -0.000 0.000 0.204 426 Q C 2.143 177.938 176.000 -0.341 0.000 0.944 426 Q CA 1.321 56.848 55.803 -0.461 0.000 0.908 426 Q CB 0.122 28.269 28.738 -0.984 0.000 1.002 426 Q HN 0.483 nan 8.270 nan 0.000 0.493 427 V N -2.341 117.368 119.914 -0.342 0.000 3.502 427 V HA 0.279 4.399 4.120 -0.000 0.000 0.288 427 V C 0.679 176.381 176.094 -0.653 0.000 1.461 427 V CA 0.423 62.513 62.300 -0.350 0.000 1.029 427 V CB -0.168 31.529 31.823 -0.210 0.000 0.843 427 V HN 0.378 nan 8.190 nan 0.000 0.438 428 N N 1.398 119.710 118.700 -0.647 0.000 2.235 428 N HA 0.375 5.115 4.740 -0.000 0.000 0.209 428 N C 1.102 176.240 175.510 -0.621 0.000 1.122 428 N CA 0.634 53.043 53.050 -1.067 0.000 0.845 428 N CB 0.578 38.748 38.487 -0.529 0.000 1.004 428 N HN 0.751 nan 8.380 nan 0.000 0.499 429 G N 1.675 110.234 108.800 -0.401 0.000 2.591 429 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.298 429 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.298 429 G C 0.409 175.231 174.900 -0.129 0.000 1.195 429 G CA 0.492 45.464 45.100 -0.212 0.000 0.989 429 G HN 0.290 nan 8.290 nan 0.000 0.551 430 E N 1.758 121.912 120.200 -0.076 0.000 2.489 430 E HA 0.196 4.546 4.350 -0.000 0.000 0.193 430 E C 1.162 177.745 176.600 -0.029 0.000 1.057 430 E CA 0.651 57.027 56.400 -0.040 0.000 0.866 430 E CB 0.218 29.907 29.700 -0.018 0.000 0.916 430 E HN 0.571 nan 8.360 nan 0.000 0.500 431 E N 1.481 121.660 120.200 -0.035 0.000 2.408 431 E HA 0.001 4.351 4.350 -0.000 0.000 0.259 431 E C -0.354 176.241 176.600 -0.009 0.000 1.110 431 E CA -0.136 56.262 56.400 -0.004 0.000 0.929 431 E CB 0.578 30.300 29.700 0.038 0.000 0.971 431 E HN -0.225 nan 8.360 nan 0.000 0.438 432 K N 1.358 121.763 120.400 0.009 0.000 2.469 432 K HA 0.430 4.749 4.320 -0.000 0.000 0.274 432 K C -0.155 176.451 176.600 0.010 0.000 0.983 432 K CA 0.887 57.179 56.287 0.008 0.000 0.974 432 K CB 0.350 32.859 32.500 0.015 0.000 0.913 432 K HN 0.755 nan 8.250 nan 0.000 0.493 433 G N 1.866 110.668 108.800 0.002 0.000 3.101 433 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.672 433 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.672 433 G C -1.217 173.686 174.900 0.006 0.000 1.331 433 G CA -0.991 44.114 45.100 0.009 0.000 0.925 433 G HN 0.516 nan 8.290 nan 0.000 0.596 434 E N 3.045 123.246 120.200 0.001 0.000 2.331 434 E HA 0.397 4.747 4.350 -0.000 0.000 0.272 434 E C -2.028 174.620 176.600 0.081 0.000 1.036 434 E CA -1.601 54.804 56.400 0.008 0.000 0.864 434 E CB 1.285 30.968 29.700 -0.028 0.000 1.035 434 E HN 0.296 nan 8.360 nan 0.000 0.408 435 P HA -0.119 nan 4.420 nan 0.000 0.266 435 P C -0.957 176.479 177.300 0.226 0.000 1.193 435 P CA 0.264 63.425 63.100 0.101 0.000 0.770 435 P CB 0.351 32.074 31.700 0.038 0.000 0.836 436 W N 2.036 123.260 121.300 -0.127 0.000 2.251 436 W HA 0.366 5.026 4.660 -0.000 0.000 0.329 436 W C 0.107 176.605 176.519 -0.035 0.000 1.234 436 W CA -0.330 56.905 57.345 -0.183 0.000 1.228 436 W CB -0.000 29.197 29.460 -0.437 0.000 1.135 436 W HN 0.130 nan 8.180 nan 0.000 0.576 437 V N -0.067 119.926 119.914 0.131 0.000 3.177 437 V HA 0.453 4.573 4.120 -0.000 0.000 0.319 437 V C 0.978 177.208 176.094 0.226 0.000 1.125 437 V CA -0.736 61.646 62.300 0.137 0.000 1.029 437 V CB 1.691 33.528 31.823 0.024 0.000 1.119 437 V HN 0.570 nan 8.190 nan 0.000 0.452 438 E N 1.362 121.673 120.200 0.184 0.000 2.130 438 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 438 E C 2.283 178.988 176.600 0.174 0.000 0.998 438 E CA 1.970 58.493 56.400 0.205 0.000 0.806 438 E CB -0.368 29.365 29.700 0.055 0.000 0.738 438 E HN 1.010 nan 8.360 nan 0.000 0.459 439 S N 0.901 116.622 115.700 0.035 0.000 2.447 439 S HA -0.121 4.349 4.470 -0.000 0.000 0.233 439 S C 1.432 175.947 174.600 -0.141 0.000 1.006 439 S CA 0.915 59.086 58.200 -0.048 0.000 0.957 439 S CB -0.032 63.114 63.200 -0.091 0.000 0.773 439 S HN 0.073 nan 8.310 nan 0.000 0.507 440 D N 0.926 121.180 120.400 -0.243 0.000 2.144 440 D HA -0.049 4.591 4.640 -0.000 0.000 0.200 440 D C 1.541 177.474 176.300 -0.612 0.000 0.978 440 D CA 1.112 54.722 54.000 -0.651 0.000 0.833 440 D CB -0.390 39.734 40.800 -1.127 0.000 0.961 440 D HN 0.516 nan 8.370 nan 0.000 0.470 441 Y N 0.639 120.839 120.300 -0.166 0.000 2.145 441 Y HA -0.112 4.438 4.550 -0.000 0.000 0.286 441 Y C -0.356 175.514 175.900 -0.051 0.000 1.145 441 Y CA 1.174 59.277 58.100 0.005 0.000 1.148 441 Y CB -1.644 36.866 38.460 0.084 0.000 0.981 441 Y HN 0.153 nan 8.280 nan 0.000 0.507 442 P HA -0.122 nan 4.420 nan 0.000 0.219 442 P C 1.331 178.613 177.300 -0.031 0.000 1.150 442 P CA 1.524 64.635 63.100 0.019 0.000 0.814 442 P CB -0.044 31.656 31.700 -0.001 0.000 0.787 443 I N -0.503 119.993 120.570 -0.124 0.000 2.252 443 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 443 I C 2.361 178.400 176.117 -0.129 0.000 1.102 443 I CA 1.400 62.610 61.300 -0.150 0.000 1.385 443 I CB -0.791 37.053 38.000 -0.261 0.000 1.064 443 I HN -0.099 nan 8.210 nan 0.000 0.414 444 A N 0.718 123.402 122.820 -0.226 0.000 1.877 444 A HA -0.281 4.039 4.320 -0.000 0.000 0.216 444 A C 2.375 180.135 177.584 0.293 0.000 1.186 444 A CA 2.098 54.114 52.037 -0.036 0.000 0.620 444 A CB -0.589 18.367 19.000 -0.074 0.000 0.822 444 A HN 0.365 nan 8.150 nan 0.000 0.443 445 K N -0.315 120.204 120.400 0.198 0.000 2.063 445 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 445 K C 2.097 178.842 176.600 0.241 0.000 1.048 445 K CA 1.383 57.818 56.287 0.247 0.000 0.928 445 K CB -0.355 32.230 32.500 0.142 0.000 0.713 445 K HN 0.353 nan 8.250 nan 0.000 0.442 446 A N 0.477 123.388 122.820 0.151 0.000 1.930 446 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 446 A C 2.141 179.848 177.584 0.204 0.000 1.175 446 A CA 1.919 54.041 52.037 0.141 0.000 0.627 446 A CB -0.575 18.453 19.000 0.047 0.000 0.815 446 A HN 0.383 nan 8.150 nan 0.000 0.443 447 S N -0.742 115.091 115.700 0.222 0.000 2.359 447 S HA -0.228 4.242 4.470 -0.000 0.000 0.224 447 S C 2.010 176.821 174.600 0.352 0.000 1.035 447 S CA 1.974 60.362 58.200 0.314 0.000 1.018 447 S CB -0.382 63.041 63.200 0.371 0.000 0.876 447 S HN 0.585 nan 8.310 nan 0.000 0.448 448 M N 0.975 120.817 119.600 0.403 0.000 2.086 448 M HA -0.026 4.454 4.480 -0.000 0.000 0.261 448 M C 1.731 178.003 176.300 -0.047 0.000 1.067 448 M CA 1.419 56.839 55.300 0.200 0.000 1.116 448 M CB -0.685 32.110 32.600 0.324 0.000 1.348 448 M HN 0.315 nan 8.290 nan 0.000 0.407 449 F N -0.113 119.827 119.950 -0.017 0.000 2.095 449 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 449 F C 2.196 177.928 175.800 -0.114 0.000 1.104 449 F CA 2.192 60.143 58.000 -0.080 0.000 1.232 449 F CB -0.729 38.247 39.000 -0.040 0.000 0.987 449 F HN 0.162 nan 8.300 nan 0.000 0.475 450 S N 0.184 115.878 115.700 -0.011 0.000 2.356 450 S HA -0.186 4.284 4.470 -0.000 0.000 0.223 450 S C 1.862 176.341 174.600 -0.201 0.000 1.032 450 S CA 1.374 59.524 58.200 -0.084 0.000 1.005 450 S CB -0.380 62.853 63.200 0.055 0.000 0.867 450 S HN 0.420 nan 8.310 nan 0.000 0.449 451 E N 1.482 121.568 120.200 -0.189 0.000 2.077 451 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 451 E C 2.386 178.684 176.600 -0.503 0.000 0.989 451 E CA 1.129 57.337 56.400 -0.319 0.000 0.800 451 E CB -0.573 28.872 29.700 -0.425 0.000 0.746 451 E HN 0.471 nan 8.360 nan 0.000 0.452 452 A N 1.457 123.862 122.820 -0.692 0.000 1.877 452 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 452 A C 2.160 179.493 177.584 -0.418 0.000 1.186 452 A CA 1.909 53.506 52.037 -0.732 0.000 0.620 452 A CB -0.594 17.931 19.000 -0.793 0.000 0.822 452 A HN 0.347 nan 8.150 nan 0.000 0.443 453 E N -0.478 119.362 120.200 -0.599 0.000 2.085 453 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 453 E C 2.273 178.713 176.600 -0.268 0.000 0.994 453 E CA 1.381 57.472 56.400 -0.514 0.000 0.801 453 E CB -0.156 29.151 29.700 -0.655 0.000 0.743 453 E HN 0.591 nan 8.360 nan 0.000 0.453 454 R N -0.205 120.160 120.500 -0.224 0.000 2.090 454 R HA -0.020 4.319 4.340 -0.000 0.000 0.228 454 R C 2.238 178.507 176.300 -0.052 0.000 1.110 454 R CA 0.970 57.004 56.100 -0.111 0.000 0.973 454 R CB 0.072 30.306 30.300 -0.109 0.000 0.869 454 R HN 0.261 nan 8.270 nan 0.000 0.440 455 L N 0.250 121.412 121.223 -0.101 0.000 2.513 455 L HA 0.106 4.446 4.340 -0.000 0.000 0.222 455 L C 2.239 179.152 176.870 0.072 0.000 1.096 455 L CA 0.055 54.867 54.840 -0.046 0.000 0.857 455 L CB -0.098 41.878 42.059 -0.138 0.000 1.026 455 L HN 0.145 nan 8.230 nan 0.000 0.469 456 R N -0.332 120.204 120.500 0.060 0.000 2.159 456 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 456 R C 0.297 176.531 176.300 -0.110 0.000 1.131 456 R CA 1.553 57.642 56.100 -0.020 0.000 0.982 456 R CB -0.419 29.860 30.300 -0.035 0.000 0.868 456 R HN 0.194 nan 8.270 nan 0.000 0.453 457 D N 0.026 120.358 120.400 -0.113 0.000 2.402 457 D HA 0.102 4.742 4.640 -0.000 0.000 0.216 457 D C -0.516 175.633 176.300 -0.251 0.000 1.128 457 D CA 0.056 53.973 54.000 -0.138 0.000 0.833 457 D CB 0.142 40.889 40.800 -0.088 0.000 0.971 457 D HN 0.259 nan 8.370 nan 0.000 0.503 458 H N 1.230 120.233 119.070 -0.112 0.000 2.705 458 H HA 0.123 4.679 4.556 -0.000 0.000 0.291 458 H C -1.388 173.771 175.328 -0.281 0.000 1.085 458 H CA -1.459 54.502 56.048 -0.145 0.000 1.357 458 H CB 1.659 31.384 29.762 -0.061 0.000 1.419 458 H HN -0.027 nan 8.280 nan 0.000 0.462 459 P HA -0.159 nan 4.420 nan 0.000 0.220 459 P C 1.487 178.219 177.300 -0.946 0.000 1.148 459 P CA 0.975 63.564 63.100 -0.851 0.000 0.803 459 P CB 0.295 31.044 31.700 -1.586 0.000 0.782 460 S N -0.814 114.526 115.700 -0.599 0.000 2.419 460 S HA -0.052 4.417 4.470 -0.000 0.000 0.233 460 S C 1.066 175.677 174.600 0.019 0.000 1.016 460 S CA 0.388 58.504 58.200 -0.140 0.000 0.974 460 S CB -1.512 61.747 63.200 0.099 0.000 0.786 460 S HN -0.052 nan 8.310 nan 0.000 0.492 461 V N 3.584 123.508 119.914 0.017 0.000 2.521 461 V HA 0.221 4.341 4.120 -0.000 0.000 0.286 461 V C 1.198 177.313 176.094 0.035 0.000 1.034 461 V CA 0.064 62.412 62.300 0.080 0.000 1.045 461 V CB 0.569 32.434 31.823 0.069 0.000 0.974 461 V HN 0.636 nan 8.190 nan 0.000 0.480 462 I N 1.982 122.605 120.570 0.088 0.000 4.139 462 I HA 0.430 4.599 4.170 -0.000 0.000 0.335 462 I C 0.557 176.808 176.117 0.224 0.000 1.327 462 I CA 0.087 61.462 61.300 0.125 0.000 1.112 462 I CB 0.513 38.570 38.000 0.095 0.000 1.058 462 I HN 0.656 nan 8.210 nan 0.000 0.396 463 S N -0.121 115.700 115.700 0.202 0.000 2.645 463 S HA 0.515 4.985 4.470 -0.000 0.000 0.268 463 S C -1.464 173.295 174.600 0.266 0.000 1.110 463 S CA -0.760 57.577 58.200 0.229 0.000 0.823 463 S CB 1.386 64.733 63.200 0.246 0.000 1.091 463 S HN 0.211 nan 8.310 nan 0.000 0.466 464 F N 1.604 121.594 119.950 0.068 0.000 2.539 464 F HA 0.485 5.012 4.527 -0.000 0.000 0.318 464 F C -0.176 175.495 175.800 -0.215 0.000 1.135 464 F CA -0.383 57.544 58.000 -0.123 0.000 0.915 464 F CB 1.501 40.300 39.000 -0.335 0.000 1.176 464 F HN 0.764 nan 8.300 nan 0.000 0.440 465 H N 7.865 126.603 119.070 -0.554 0.000 2.864 465 H HA 0.206 4.761 4.556 -0.000 0.000 0.281 465 H C 1.244 176.359 175.328 -0.355 0.000 1.093 465 H CA 0.377 56.212 56.048 -0.355 0.000 1.453 465 H CB 1.181 30.750 29.762 -0.321 0.000 1.462 465 H HN 0.796 nan 8.280 nan 0.000 0.480 466 I N 0.596 121.179 120.570 0.021 0.000 3.251 466 I HA 0.263 4.432 4.170 -0.000 0.000 0.277 466 I C 0.884 177.196 176.117 0.326 0.000 1.268 466 I CA 0.144 61.526 61.300 0.136 0.000 1.449 466 I CB 0.555 38.685 38.000 0.216 0.000 1.083 466 I HN 0.305 nan 8.210 nan 0.000 0.464 467 G N -0.373 108.571 108.800 0.240 0.000 2.672 467 G HA2 0.484 4.444 3.960 -0.000 0.000 0.292 467 G HA3 0.484 4.444 3.960 -0.000 0.000 0.292 467 G C -0.635 174.391 174.900 0.211 0.000 1.375 467 G CA 0.165 45.428 45.100 0.271 0.000 0.890 467 G HN 0.004 nan 8.290 nan 0.000 0.476 468 S N -0.936 114.873 115.700 0.182 0.000 3.214 468 S HA 0.133 4.603 4.470 -0.000 0.000 0.182 468 S C 1.613 176.237 174.600 0.039 0.000 0.728 468 S CA 1.129 59.386 58.200 0.094 0.000 0.814 468 S CB -0.241 63.006 63.200 0.078 0.000 0.859 468 S HN 0.457 nan 8.310 nan 0.000 0.647 469 D N 1.150 121.572 120.400 0.037 0.000 2.137 469 D HA -0.026 4.614 4.640 -0.000 0.000 0.189 469 D C 0.059 176.236 176.300 -0.205 0.000 0.998 469 D CA 1.512 55.468 54.000 -0.073 0.000 0.839 469 D CB -0.271 40.521 40.800 -0.013 0.000 0.962 469 D HN 0.339 nan 8.370 nan 0.000 0.446 470 F N -0.173 119.812 119.950 0.057 0.000 2.469 470 F HA 0.569 5.096 4.527 -0.000 0.000 0.332 470 F C 0.583 176.428 175.800 0.076 0.000 1.103 470 F CA -1.334 56.697 58.000 0.051 0.000 0.979 470 F CB 1.391 40.408 39.000 0.029 0.000 1.137 470 F HN -0.134 nan 8.300 nan 0.000 0.463 471 A N 4.393 127.350 122.820 0.228 0.000 2.425 471 A HA 0.498 4.818 4.320 -0.000 0.000 0.242 471 A C -2.307 175.386 177.584 0.182 0.000 1.077 471 A CA -1.187 50.960 52.037 0.184 0.000 0.781 471 A CB -0.496 18.578 19.000 0.124 0.000 1.020 471 A HN 0.436 nan 8.150 nan 0.000 0.494 472 P HA 0.209 nan 4.420 nan 0.000 0.272 472 P C -0.743 176.580 177.300 0.038 0.000 1.240 472 P CA -0.303 62.858 63.100 0.103 0.000 0.791 472 P CB 0.366 32.177 31.700 0.185 0.000 0.978 473 D N -0.342 120.033 120.400 -0.043 0.000 2.414 473 D HA 0.085 4.724 4.640 -0.000 0.000 0.251 473 D C 1.402 177.690 176.300 -0.020 0.000 1.252 473 D CA -0.440 53.538 54.000 -0.035 0.000 0.999 473 D CB 0.351 41.108 40.800 -0.072 0.000 1.093 473 D HN 0.291 nan 8.370 nan 0.000 0.515 474 R N -0.537 119.955 120.500 -0.014 0.000 2.083 474 R HA -0.198 4.142 4.340 -0.000 0.000 0.237 474 R C 2.297 178.588 176.300 -0.015 0.000 1.137 474 R CA 1.577 57.674 56.100 -0.006 0.000 0.951 474 R CB -0.139 30.155 30.300 -0.009 0.000 0.851 474 R HN 0.565 nan 8.270 nan 0.000 0.434 475 R N 0.406 120.890 120.500 -0.026 0.000 2.070 475 R HA -0.111 4.228 4.340 -0.000 0.000 0.233 475 R C 2.285 178.580 176.300 -0.009 0.000 1.137 475 R CA 1.953 58.039 56.100 -0.022 0.000 0.945 475 R CB -0.312 29.965 30.300 -0.039 0.000 0.845 475 R HN 0.294 nan 8.270 nan 0.000 0.430 476 I N 0.596 121.137 120.570 -0.049 0.000 2.226 476 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 476 I C 2.590 178.544 176.117 -0.272 0.000 1.100 476 I CA 1.520 62.691 61.300 -0.216 0.000 1.374 476 I CB -0.462 37.298 38.000 -0.400 0.000 1.057 476 I HN 0.417 nan 8.210 nan 0.000 0.413 477 E N 0.878 121.039 120.200 -0.064 0.000 2.077 477 E HA -0.325 4.025 4.350 -0.000 0.000 0.193 477 E C 2.196 178.835 176.600 0.065 0.000 0.989 477 E CA 1.449 57.893 56.400 0.073 0.000 0.800 477 E CB 0.016 29.775 29.700 0.097 0.000 0.746 477 E HN 0.319 nan 8.360 nan 0.000 0.452 478 Q N 0.156 119.970 119.800 0.023 0.000 2.084 478 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 478 Q C 1.972 177.995 176.000 0.039 0.000 0.978 478 Q CA 2.074 57.897 55.803 0.033 0.000 0.844 478 Q CB -0.818 27.928 28.738 0.013 0.000 0.898 478 Q HN 0.376 nan 8.270 nan 0.000 0.426 479 G N -0.881 107.915 108.800 -0.006 0.000 2.446 479 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 479 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 479 G C 0.905 175.869 174.900 0.106 0.000 1.168 479 G CA 1.133 46.240 45.100 0.011 0.000 0.771 479 G HN 0.397 nan 8.290 nan 0.000 0.551 480 Y N 0.622 121.013 120.300 0.152 0.000 2.200 480 Y HA 0.082 4.632 4.550 -0.000 0.000 0.290 480 Y C 2.826 178.759 175.900 0.055 0.000 1.137 480 Y CA 0.257 58.435 58.100 0.130 0.000 1.163 480 Y CB -0.823 37.750 38.460 0.189 0.000 0.988 480 Y HN 0.078 nan 8.280 nan 0.000 0.518 481 L N -0.474 120.877 121.223 0.214 0.000 2.083 481 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 481 L C 1.964 178.899 176.870 0.108 0.000 1.083 481 L CA 1.373 56.292 54.840 0.131 0.000 0.752 481 L CB -0.493 41.629 42.059 0.104 0.000 0.899 481 L HN 0.115 nan 8.230 nan 0.000 0.433 482 D N 0.243 120.707 120.400 0.107 0.000 2.117 482 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 482 D C 2.252 178.623 176.300 0.117 0.000 0.987 482 D CA 1.499 55.554 54.000 0.091 0.000 0.829 482 D CB -0.073 40.768 40.800 0.069 0.000 0.961 482 D HN 0.287 nan 8.370 nan 0.000 0.460 483 A N 0.615 123.527 122.820 0.153 0.000 1.877 483 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 483 A C 2.283 179.967 177.584 0.166 0.000 1.186 483 A CA 1.498 53.668 52.037 0.222 0.000 0.620 483 A CB -0.596 18.553 19.000 0.249 0.000 0.822 483 A HN 0.153 nan 8.150 nan 0.000 0.443 484 M N -0.861 118.768 119.600 0.048 0.000 2.117 484 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 484 M C 2.303 178.659 176.300 0.093 0.000 1.065 484 M CA 2.064 57.361 55.300 -0.005 0.000 1.114 484 M CB -0.304 32.285 32.600 -0.019 0.000 1.361 484 M HN 0.493 nan 8.290 nan 0.000 0.408 485 K N 0.659 121.119 120.400 0.100 0.000 2.032 485 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 485 K C 1.942 178.609 176.600 0.110 0.000 1.048 485 K CA 1.638 57.981 56.287 0.094 0.000 0.927 485 K CB -0.149 32.397 32.500 0.077 0.000 0.712 485 K HN 0.289 nan 8.250 nan 0.000 0.441 486 A N 0.823 123.733 122.820 0.150 0.000 1.978 486 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 486 A C 2.151 179.909 177.584 0.290 0.000 1.170 486 A CA 1.886 54.045 52.037 0.204 0.000 0.636 486 A CB -0.590 18.533 19.000 0.206 0.000 0.810 486 A HN 0.491 nan 8.150 nan 0.000 0.448 487 A N -1.385 121.555 122.820 0.200 0.000 2.251 487 A HA 0.254 4.574 4.320 -0.000 0.000 0.209 487 A C 0.453 177.964 177.584 -0.122 0.000 1.187 487 A CA 0.809 52.792 52.037 -0.089 0.000 0.823 487 A CB -0.193 18.530 19.000 -0.460 0.000 0.846 487 A HN 0.448 nan 8.150 nan 0.000 0.486 488 D N -2.219 118.195 120.400 0.024 0.000 2.837 488 D HA -0.199 4.441 4.640 -0.000 0.000 0.230 488 D C -0.315 175.991 176.300 0.010 0.000 1.152 488 D CA 0.834 54.859 54.000 0.041 0.000 0.736 488 D CB -1.830 39.048 40.800 0.131 0.000 1.084 488 D HN 0.525 nan 8.370 nan 0.000 0.429 489 F N 0.877 120.748 119.950 -0.133 0.000 2.434 489 F HA 0.275 4.802 4.527 -0.000 0.000 0.358 489 F C 1.031 176.773 175.800 -0.097 0.000 1.136 489 F CA -0.334 57.575 58.000 -0.152 0.000 1.157 489 F CB 0.323 39.194 39.000 -0.215 0.000 1.167 489 F HN -0.026 nan 8.300 nan 0.000 0.539 490 L N 6.778 127.737 121.223 -0.440 0.000 2.769 490 L HA 0.250 4.590 4.340 -0.000 0.000 0.240 490 L C 0.015 176.676 176.870 -0.349 0.000 1.163 490 L CA -0.105 54.576 54.840 -0.265 0.000 0.962 490 L CB -0.266 41.687 42.059 -0.177 0.000 1.258 490 L HN 0.489 nan 8.230 nan 0.000 0.513 491 L N 0.353 121.153 121.223 -0.705 0.000 2.456 491 L HA 0.310 4.650 4.340 -0.000 0.000 0.257 491 L C -1.922 174.873 176.870 -0.124 0.000 1.162 491 L CA -1.801 52.772 54.840 -0.445 0.000 0.808 491 L CB 0.204 41.896 42.059 -0.611 0.000 1.136 491 L HN -0.184 nan 8.230 nan 0.000 0.466 492 P HA 0.014 nan 4.420 nan 0.000 0.265 492 P C -1.058 176.277 177.300 0.059 0.000 1.193 492 P CA -0.045 63.049 63.100 -0.010 0.000 0.765 492 P CB 0.498 32.163 31.700 -0.058 0.000 0.823 493 V N 5.651 125.585 119.914 0.034 0.000 2.370 493 V HA 0.302 4.422 4.120 -0.000 0.000 0.279 493 V C 0.401 176.443 176.094 -0.087 0.000 1.029 493 V CA -0.337 61.983 62.300 0.034 0.000 0.870 493 V CB 0.821 32.685 31.823 0.069 0.000 0.984 493 V HN 0.363 nan 8.190 nan 0.000 0.451 494 I N 8.012 128.449 120.570 -0.221 0.000 2.321 494 I HA 0.335 4.505 4.170 -0.000 0.000 0.291 494 I C -1.218 174.756 176.117 -0.238 0.000 0.998 494 I CA -1.821 59.257 61.300 -0.370 0.000 1.227 494 I CB 2.114 39.633 38.000 -0.801 0.000 1.368 494 I HN 0.424 nan 8.210 nan 0.000 0.466 495 P HA -0.054 nan 4.420 nan 0.000 0.218 495 P C 0.201 177.546 177.300 0.075 0.000 1.149 495 P CA 0.965 64.077 63.100 0.021 0.000 0.817 495 P CB 0.502 32.219 31.700 0.028 0.000 0.785 496 A N -1.736 121.128 122.820 0.073 0.000 2.608 496 A HA 0.631 4.951 4.320 -0.000 0.000 0.292 496 A C 0.440 178.158 177.584 0.223 0.000 1.066 496 A CA 0.024 52.151 52.037 0.149 0.000 0.676 496 A CB 0.490 19.533 19.000 0.072 0.000 1.277 496 A HN -0.070 nan 8.150 nan 0.000 0.413 497 A N 0.227 123.141 122.820 0.156 0.000 2.178 497 A HA 0.443 4.763 4.320 -0.000 0.000 0.211 497 A C 1.377 178.960 177.584 -0.001 0.000 1.157 497 A CA 1.366 53.424 52.037 0.034 0.000 0.780 497 A CB -0.650 18.237 19.000 -0.189 0.000 0.828 497 A HN 1.892 nan 8.150 nan 0.000 0.476 498 S N -1.177 114.514 115.700 -0.015 0.000 2.671 498 S HA 0.576 5.046 4.470 -0.000 0.000 0.272 498 S C 1.087 175.682 174.600 -0.008 0.000 1.174 498 S CA -0.013 58.165 58.200 -0.038 0.000 1.004 498 S CB 1.174 64.309 63.200 -0.108 0.000 1.077 498 S HN 0.798 nan 8.310 nan 0.000 0.553 499 A N -0.221 122.595 122.820 -0.008 0.000 2.235 499 A HA 0.180 4.500 4.320 -0.000 0.000 0.208 499 A C 0.991 178.581 177.584 0.010 0.000 1.172 499 A CA -0.064 51.984 52.037 0.018 0.000 0.786 499 A CB -0.562 18.463 19.000 0.042 0.000 0.804 499 A HN 0.693 nan 8.150 nan 0.000 0.479 500 R N 1.248 121.739 120.500 -0.015 0.000 2.347 500 R HA 0.247 4.587 4.340 -0.000 0.000 0.304 500 R C -2.550 173.765 176.300 0.026 0.000 1.072 500 R CA -1.446 54.652 56.100 -0.004 0.000 0.980 500 R CB 0.419 30.694 30.300 -0.042 0.000 0.986 500 R HN 0.261 nan 8.270 nan 0.000 0.448 501 P HA 0.074 nan 4.420 nan 0.000 0.279 501 P C -0.725 176.606 177.300 0.052 0.000 1.252 501 P CA -0.526 62.596 63.100 0.037 0.000 0.811 501 P CB 1.405 33.123 31.700 0.031 0.000 1.035 502 S N 0.753 116.484 115.700 0.050 0.000 2.651 502 S HA 0.474 4.944 4.470 -0.000 0.000 0.291 502 S C -1.875 172.751 174.600 0.043 0.000 1.141 502 S CA -1.399 56.837 58.200 0.059 0.000 1.027 502 S CB 0.714 63.959 63.200 0.075 0.000 1.043 502 S HN 0.194 nan 8.310 nan 0.000 0.530 503 P HA 0.001 nan 4.420 nan 0.000 0.216 503 P C 0.968 178.284 177.300 0.026 0.000 1.150 503 P CA 1.123 64.240 63.100 0.028 0.000 0.837 503 P CB -0.012 31.701 31.700 0.022 0.000 0.786 504 I N -2.289 118.301 120.570 0.033 0.000 2.681 504 I HA -0.066 4.104 4.170 -0.000 0.000 0.247 504 I C 1.993 178.127 176.117 0.028 0.000 1.091 504 I CA 1.121 62.439 61.300 0.030 0.000 1.442 504 I CB -1.060 36.962 38.000 0.037 0.000 1.219 504 I HN -0.171 nan 8.210 nan 0.000 0.451 505 T N 0.350 114.925 114.554 0.035 0.000 2.857 505 T HA 0.171 4.521 4.350 -0.000 0.000 0.266 505 T C 1.041 175.748 174.700 0.012 0.000 1.048 505 T CA 1.143 63.258 62.100 0.024 0.000 1.139 505 T CB -0.234 68.652 68.868 0.028 0.000 0.874 505 T HN 0.671 nan 8.240 nan 0.000 0.455 506 G N 1.008 109.819 108.800 0.018 0.000 2.464 506 G HA2 0.138 4.098 3.960 -0.000 0.000 0.216 506 G HA3 0.138 4.098 3.960 -0.000 0.000 0.216 506 G C -0.088 174.819 174.900 0.011 0.000 1.186 506 G CA -0.371 44.737 45.100 0.014 0.000 1.010 506 G HN 0.784 nan 8.290 nan 0.000 0.585 507 A N 0.019 122.843 122.820 0.007 0.000 2.462 507 A HA 0.625 4.945 4.320 -0.000 0.000 0.243 507 A C 1.793 179.372 177.584 -0.007 0.000 1.076 507 A CA 1.431 53.473 52.037 0.008 0.000 0.773 507 A CB 0.473 19.482 19.000 0.014 0.000 1.010 507 A HN 2.334 nan 8.150 nan 0.000 0.493 508 S N 2.244 117.942 115.700 -0.003 0.000 2.387 508 S HA 0.233 4.703 4.470 -0.000 0.000 0.226 508 S C 1.555 176.132 174.600 -0.038 0.000 1.026 508 S CA 1.096 59.280 58.200 -0.027 0.000 0.972 508 S CB -0.653 62.545 63.200 -0.003 0.000 0.814 508 S HN 2.601 nan 8.310 nan 0.000 0.477 509 G N 1.318 110.122 108.800 0.006 0.000 2.168 509 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 509 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 509 G C -0.043 174.902 174.900 0.074 0.000 0.997 509 G CA 0.867 45.990 45.100 0.038 0.000 0.708 509 G HN 0.553 nan 8.290 nan 0.000 0.520 510 M N -0.968 118.667 119.600 0.058 0.000 2.727 510 M HA 0.609 5.089 4.480 -0.000 0.000 0.300 510 M C -0.009 176.332 176.300 0.068 0.000 1.246 510 M CA -0.929 54.429 55.300 0.096 0.000 0.835 510 M CB 2.459 35.079 32.600 0.033 0.000 1.755 510 M HN 0.278 nan 8.290 nan 0.000 0.473 511 K N 0.873 121.303 120.400 0.049 0.000 2.469 511 K HA 0.710 5.030 4.320 -0.000 0.000 0.254 511 K C -1.499 175.076 176.600 -0.041 0.000 0.939 511 K CA -0.785 55.488 56.287 -0.023 0.000 0.812 511 K CB 2.843 35.263 32.500 -0.133 0.000 1.301 511 K HN 0.830 nan 8.250 nan 0.000 0.433 512 M N 4.019 123.600 119.600 -0.032 0.000 2.389 512 M HA 0.265 4.745 4.480 -0.000 0.000 0.206 512 M C -1.047 175.282 176.300 0.048 0.000 0.976 512 M CA -0.393 54.894 55.300 -0.022 0.000 0.648 512 M CB 0.439 33.024 32.600 -0.025 0.000 1.474 512 M HN 0.691 nan 8.290 nan 0.000 0.398 513 N N 1.294 120.006 118.700 0.021 0.000 2.270 513 N HA 0.265 5.005 4.740 -0.000 0.000 0.198 513 N C 0.737 176.324 175.510 0.129 0.000 1.117 513 N CA 0.882 53.990 53.050 0.095 0.000 0.845 513 N CB 0.810 39.339 38.487 0.069 0.000 0.980 513 N HN 0.831 nan 8.380 nan 0.000 0.486 514 G N 1.513 110.323 108.800 0.016 0.000 2.750 514 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.228 514 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.228 514 G C -2.866 171.917 174.900 -0.196 0.000 1.367 514 G CA -0.731 44.233 45.100 -0.227 0.000 0.871 514 G HN 0.129 nan 8.290 nan 0.000 0.560 515 P HA 0.511 nan 4.420 nan 0.000 0.279 515 P C -0.654 176.329 177.300 -0.527 0.000 1.276 515 P CA -0.151 62.762 63.100 -0.310 0.000 0.801 515 P CB 0.595 32.044 31.700 -0.419 0.000 1.127 516 Y N -2.276 118.091 120.300 0.112 0.000 2.717 516 Y HA 0.376 4.926 4.550 -0.000 0.000 0.250 516 Y C 0.501 176.626 175.900 0.374 0.000 1.149 516 Y CA -0.161 58.006 58.100 0.112 0.000 1.211 516 Y CB 0.859 39.306 38.460 -0.023 0.000 1.289 516 Y HN 0.218 nan 8.280 nan 0.000 0.552 517 D N -1.722 118.938 120.400 0.433 0.000 2.759 517 D HA 0.084 4.724 4.640 -0.000 0.000 0.321 517 D C -1.316 175.151 176.300 0.278 0.000 1.267 517 D CA -0.871 53.404 54.000 0.459 0.000 0.933 517 D CB 1.373 42.537 40.800 0.607 0.000 1.431 517 D HN -0.137 nan 8.370 nan 0.000 0.504 518 Y N 1.451 121.898 120.300 0.246 0.000 2.729 518 Y HA 0.242 4.792 4.550 -0.000 0.000 0.331 518 Y C -0.036 175.898 175.900 0.056 0.000 1.208 518 Y CA 0.649 58.870 58.100 0.202 0.000 1.521 518 Y CB 0.034 38.647 38.460 0.255 0.000 1.233 518 Y HN 0.106 nan 8.280 nan 0.000 0.539 519 V N 5.978 125.308 119.914 -0.973 0.000 2.925 519 V HA 0.718 4.838 4.120 -0.000 0.000 0.311 519 V C -2.861 172.580 176.094 -1.088 0.000 1.104 519 V CA -2.674 59.079 62.300 -0.912 0.000 0.954 519 V CB 1.995 33.048 31.823 -1.283 0.000 1.022 519 V HN 0.625 nan 8.190 nan 0.000 0.427 520 P HA 0.360 nan 4.420 nan 0.000 0.274 520 P C -2.436 174.801 177.300 -0.106 0.000 1.246 520 P CA -1.601 61.403 63.100 -0.159 0.000 0.795 520 P CB 0.643 32.326 31.700 -0.028 0.000 1.006 521 P HA -0.161 nan 4.420 nan 0.000 0.216 521 P C 1.697 179.144 177.300 0.244 0.000 1.153 521 P CA 0.977 64.168 63.100 0.151 0.000 0.858 521 P CB -0.177 31.399 31.700 -0.206 0.000 0.789 522 V N -1.308 118.667 119.914 0.101 0.000 2.720 522 V HA -0.255 3.865 4.120 -0.000 0.000 0.256 522 V C 2.128 178.380 176.094 0.262 0.000 1.082 522 V CA 1.447 63.887 62.300 0.234 0.000 1.101 522 V CB -1.266 30.623 31.823 0.109 0.000 0.693 522 V HN 0.089 nan 8.190 nan 0.000 0.479 523 Y N -0.382 119.871 120.300 -0.078 0.000 2.151 523 Y HA -0.298 4.252 4.550 -0.000 0.000 0.284 523 Y C 1.935 177.794 175.900 -0.068 0.000 1.166 523 Y CA 2.296 60.288 58.100 -0.180 0.000 1.163 523 Y CB -0.381 37.742 38.460 -0.562 0.000 0.974 523 Y HN 0.425 nan 8.280 nan 0.000 0.511 524 W N -1.356 120.172 121.300 0.379 0.000 2.421 524 W HA -0.184 4.476 4.660 -0.000 0.000 0.270 524 W C 1.355 177.839 176.519 -0.057 0.000 1.233 524 W CA 0.751 58.195 57.345 0.165 0.000 1.226 524 W CB -0.536 28.973 29.460 0.080 0.000 1.121 524 W HN 0.108 nan 8.180 nan 0.000 0.579 525 Y N -0.050 120.410 120.300 0.267 0.000 2.490 525 Y HA 0.022 4.572 4.550 -0.000 0.000 0.281 525 Y C 0.768 176.720 175.900 0.087 0.000 1.174 525 Y CA 0.052 58.248 58.100 0.159 0.000 1.295 525 Y CB -0.524 38.024 38.460 0.147 0.000 1.062 525 Y HN -0.250 nan 8.280 nan 0.000 0.522 526 D N 0.641 121.135 120.400 0.156 0.000 2.424 526 D HA 0.040 4.680 4.640 -0.000 0.000 0.244 526 D C 0.503 176.844 176.300 0.069 0.000 1.134 526 D CA 0.522 54.548 54.000 0.045 0.000 0.881 526 D CB 0.729 41.475 40.800 -0.090 0.000 1.191 526 D HN 0.130 nan 8.370 nan 0.000 0.445 527 K N 1.275 121.642 120.400 -0.054 0.000 2.477 527 K HA 0.034 4.354 4.320 -0.000 0.000 0.208 527 K C 1.483 177.814 176.600 -0.448 0.000 1.117 527 K CA 0.104 56.258 56.287 -0.221 0.000 1.039 527 K CB 0.591 32.994 32.500 -0.162 0.000 0.937 527 K HN 0.424 nan 8.250 nan 0.000 0.570 528 S N 0.506 115.984 115.700 -0.370 0.000 2.436 528 S HA -0.002 4.468 4.470 -0.000 0.000 0.228 528 S C 0.823 175.123 174.600 -0.500 0.000 1.014 528 S CA 0.342 58.295 58.200 -0.412 0.000 0.950 528 S CB 0.074 63.066 63.200 -0.347 0.000 0.784 528 S HN 0.056 nan 8.310 nan 0.000 0.504 529 Q N 2.041 121.489 119.800 -0.587 0.000 2.421 529 Q HA 0.249 4.588 4.340 -0.000 0.000 0.242 529 Q C 0.684 176.537 176.000 -0.245 0.000 1.024 529 Q CA -0.156 55.319 55.803 -0.547 0.000 0.891 529 Q CB 1.470 29.638 28.738 -0.949 0.000 1.222 529 Q HN 0.767 nan 8.270 nan 0.000 0.483 530 K N 0.653 120.915 120.400 -0.231 0.000 2.439 530 K HA -0.056 4.263 4.320 -0.000 0.000 0.197 530 K C -0.222 176.503 176.600 0.208 0.000 1.041 530 K CA 0.860 57.079 56.287 -0.113 0.000 0.970 530 K CB 0.446 32.819 32.500 -0.212 0.000 0.773 530 K HN 0.149 nan 8.250 nan 0.000 0.479 531 D N 0.827 121.294 120.400 0.113 0.000 2.342 531 D HA 0.099 4.739 4.640 -0.000 0.000 0.221 531 D C 0.154 176.554 176.300 0.168 0.000 1.101 531 D CA 0.142 54.230 54.000 0.146 0.000 0.837 531 D CB 0.402 41.259 40.800 0.096 0.000 0.938 531 D HN 0.139 nan 8.370 nan 0.000 0.508 532 R N -0.894 119.726 120.500 0.200 0.000 3.018 532 R HA 0.595 4.934 4.340 -0.000 0.000 0.243 532 R C 0.896 177.263 176.300 0.111 0.000 1.315 532 R CA -0.878 55.327 56.100 0.174 0.000 1.039 532 R CB 0.027 30.409 30.300 0.136 0.000 1.315 532 R HN -0.106 nan 8.270 nan 0.000 0.492 533 G N -0.166 108.718 108.800 0.140 0.000 3.820 533 G HA2 0.247 4.207 3.960 -0.000 0.000 0.293 533 G HA3 0.247 4.207 3.960 -0.000 0.000 0.293 533 G C 0.436 175.405 174.900 0.115 0.000 1.152 533 G CA -0.022 45.128 45.100 0.084 0.000 0.921 533 G HN 0.551 nan 8.290 nan 0.000 0.544 534 G N -0.253 108.518 108.800 -0.048 0.000 2.716 534 G HA2 0.434 4.394 3.960 -0.000 0.000 0.251 534 G HA3 0.434 4.394 3.960 -0.000 0.000 0.251 534 G C 0.565 175.334 174.900 -0.218 0.000 1.224 534 G CA 0.150 45.261 45.100 0.019 0.000 0.891 534 G HN 0.626 nan 8.290 nan 0.000 0.561 535 A N 1.507 124.182 122.820 -0.242 0.000 2.797 535 A HA 0.528 4.848 4.320 -0.000 0.000 0.296 535 A C -0.202 177.270 177.584 -0.186 0.000 1.580 535 A CA -0.333 51.249 52.037 -0.757 0.000 1.277 535 A CB -0.969 17.531 19.000 -0.834 0.000 1.101 535 A HN 0.871 nan 8.150 nan 0.000 0.562 536 W N 0.056 121.243 121.300 -0.188 0.000 3.275 536 W HA 0.572 5.232 4.660 -0.000 0.000 0.306 536 W C -0.192 176.335 176.519 0.013 0.000 1.259 536 W CA -0.154 57.149 57.345 -0.070 0.000 1.194 536 W CB -0.030 29.389 29.460 -0.068 0.000 1.375 536 W HN 1.111 nan 8.180 nan 0.000 0.564 537 S N 0.463 116.315 115.700 0.254 0.000 3.569 537 S HA -0.276 4.194 4.470 -0.000 0.000 0.635 537 S C -0.994 173.676 174.600 0.117 0.000 2.396 537 S CA 0.643 58.954 58.200 0.184 0.000 2.612 537 S CB -1.183 62.094 63.200 0.129 0.000 0.331 537 S HN 0.885 nan 8.310 nan 0.000 1.764 538 F N 2.599 122.556 119.950 0.013 0.000 2.334 538 F HA 0.482 5.008 4.527 -0.000 0.000 0.367 538 F C 0.300 176.071 175.800 -0.048 0.000 1.115 538 F CA -0.728 57.291 58.000 0.032 0.000 1.116 538 F CB 0.663 39.721 39.000 0.096 0.000 1.230 538 F HN 0.507 nan 8.300 nan 0.000 0.484 539 N N 3.313 121.970 118.700 -0.073 0.000 2.482 539 N HA -0.004 4.736 4.740 -0.000 0.000 0.242 539 N C 0.884 176.379 175.510 -0.024 0.000 1.100 539 N CA 0.169 53.163 53.050 -0.093 0.000 0.946 539 N CB 1.133 39.515 38.487 -0.176 0.000 1.227 539 N HN 0.698 nan 8.380 nan 0.000 0.508 540 S N 1.437 117.219 115.700 0.137 0.000 2.522 540 S HA -0.040 4.430 4.470 -0.000 0.000 0.227 540 S C 0.080 174.618 174.600 -0.102 0.000 0.986 540 S CA 0.234 58.528 58.200 0.157 0.000 0.929 540 S CB -0.213 63.027 63.200 0.068 0.000 0.769 540 S HN 0.676 nan 8.310 nan 0.000 0.529 541 E N -0.913 119.124 120.200 -0.271 0.000 2.716 541 E HA 0.388 4.737 4.350 -0.000 0.000 0.379 541 E C -0.997 175.255 176.600 -0.579 0.000 0.969 541 E CA -0.547 55.531 56.400 -0.536 0.000 0.735 541 E CB 0.235 29.153 29.700 -1.304 0.000 1.498 541 E HN 0.025 nan 8.360 nan 0.000 0.395 542 T N 0.843 115.131 114.554 -0.444 0.000 2.942 542 T HA 0.732 5.081 4.350 -0.000 0.000 0.327 542 T C -1.485 172.930 174.700 -0.475 0.000 1.360 542 T CA 0.331 62.123 62.100 -0.513 0.000 1.055 542 T CB 1.863 70.556 68.868 -0.291 0.000 1.261 542 T HN 0.928 nan 8.240 nan 0.000 0.485 543 S N 1.593 117.091 115.700 -0.337 0.000 2.703 543 S HA 0.750 5.220 4.470 -0.000 0.000 0.273 543 S C 0.047 174.741 174.600 0.156 0.000 1.178 543 S CA -0.177 57.867 58.200 -0.260 0.000 0.838 543 S CB 0.949 63.719 63.200 -0.717 0.000 1.178 543 S HN 1.356 nan 8.310 nan 0.000 0.494 544 A N -0.191 122.802 122.820 0.288 0.000 2.545 544 A HA 0.751 5.070 4.320 -0.000 0.000 0.277 544 A C 1.437 179.239 177.584 0.363 0.000 1.301 544 A CA 0.705 52.903 52.037 0.268 0.000 0.935 544 A CB -1.387 17.748 19.000 0.225 0.000 1.093 544 A HN 2.502 nan 8.150 nan 0.000 0.519 545 G N -0.721 108.321 108.800 0.403 0.000 3.127 545 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.280 545 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.280 545 G C 0.260 175.333 174.900 0.288 0.000 1.491 545 G CA -0.151 45.235 45.100 0.477 0.000 1.029 545 G HN 0.891 nan 8.290 nan 0.000 0.582 546 V N 2.791 122.785 119.914 0.134 0.000 2.673 546 V HA 0.412 4.532 4.120 -0.000 0.000 0.303 546 V C -0.279 175.700 176.094 -0.191 0.000 1.046 546 V CA 1.058 63.247 62.300 -0.184 0.000 1.126 546 V CB 1.331 32.755 31.823 -0.664 0.000 0.934 546 V HN 0.562 nan 8.190 nan 0.000 0.487 547 D N 4.221 124.542 120.400 -0.132 0.000 2.429 547 D HA 0.267 4.907 4.640 -0.000 0.000 0.255 547 D C -0.342 175.908 176.300 -0.083 0.000 1.257 547 D CA -0.425 53.550 54.000 -0.043 0.000 0.890 547 D CB 1.142 41.986 40.800 0.074 0.000 1.267 547 D HN 0.236 nan 8.370 nan 0.000 0.521 548 I N 3.547 124.035 120.570 -0.137 0.000 2.662 548 I HA 0.038 4.207 4.170 -0.000 0.000 0.285 548 I C -1.671 174.437 176.117 -0.014 0.000 1.161 548 I CA -1.174 60.089 61.300 -0.061 0.000 1.415 548 I CB -0.297 37.689 38.000 -0.023 0.000 1.385 548 I HN -0.020 nan 8.210 nan 0.000 0.552 549 P HA 0.081 nan 4.420 nan 0.000 0.275 549 P C 0.007 177.318 177.300 0.019 0.000 1.270 549 P CA -0.283 62.815 63.100 -0.003 0.000 0.791 549 P CB 0.084 31.773 31.700 -0.018 0.000 1.089 550 T N -2.741 111.825 114.554 0.021 0.000 2.855 550 T HA 0.011 4.361 4.350 -0.000 0.000 0.314 550 T C 1.320 176.038 174.700 0.031 0.000 1.077 550 T CA -0.217 61.899 62.100 0.026 0.000 1.095 550 T CB -0.072 68.807 68.868 0.019 0.000 0.987 550 T HN 0.277 nan 8.240 nan 0.000 0.546 551 M N 0.903 120.519 119.600 0.026 0.000 2.213 551 M HA -0.022 4.458 4.480 -0.000 0.000 0.263 551 M C 1.388 177.698 176.300 0.016 0.000 1.062 551 M CA 1.769 57.082 55.300 0.022 0.000 1.105 551 M CB -1.089 31.516 32.600 0.008 0.000 1.385 551 M HN 0.817 nan 8.290 nan 0.000 0.417 552 D N -1.138 119.268 120.400 0.010 0.000 2.117 552 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 552 D C 1.711 178.015 176.300 0.006 0.000 0.987 552 D CA 1.925 55.923 54.000 -0.004 0.000 0.829 552 D CB -0.196 40.595 40.800 -0.015 0.000 0.961 552 D HN 0.379 nan 8.370 nan 0.000 0.460 553 T N 0.294 114.881 114.554 0.055 0.000 2.812 553 T HA -0.020 4.330 4.350 -0.000 0.000 0.264 553 T C 2.018 176.776 174.700 0.097 0.000 1.042 553 T CA 0.366 62.552 62.100 0.143 0.000 1.140 553 T CB -0.256 68.729 68.868 0.195 0.000 0.870 553 T HN 0.091 nan 8.240 nan 0.000 0.445 554 L N 0.597 121.847 121.223 0.044 0.000 2.051 554 L HA -0.191 4.149 4.340 -0.000 0.000 0.214 554 L C 2.479 179.368 176.870 0.032 0.000 1.076 554 L CA 1.590 56.441 54.840 0.018 0.000 0.758 554 L CB -0.416 41.663 42.059 0.033 0.000 0.890 554 L HN 0.233 nan 8.230 nan 0.000 0.433 555 K N -0.754 119.671 120.400 0.043 0.000 2.432 555 K HA -0.046 4.274 4.320 -0.000 0.000 0.196 555 K C 2.014 178.667 176.600 0.089 0.000 1.038 555 K CA 0.454 56.776 56.287 0.057 0.000 0.986 555 K CB 0.123 32.639 32.500 0.028 0.000 0.782 555 K HN 0.281 nan 8.250 nan 0.000 0.485 556 R N 0.194 120.745 120.500 0.086 0.000 2.223 556 R HA 0.112 4.452 4.340 -0.000 0.000 0.198 556 R C 2.125 178.603 176.300 0.297 0.000 0.984 556 R CA 0.598 56.766 56.100 0.113 0.000 1.018 556 R CB 0.195 30.467 30.300 -0.047 0.000 0.945 556 R HN 0.236 nan 8.270 nan 0.000 0.479 557 M N -2.072 117.636 119.600 0.179 0.000 2.421 557 M HA 0.359 4.839 4.480 -0.000 0.000 0.258 557 M C 0.202 176.324 176.300 -0.298 0.000 1.122 557 M CA 0.749 56.018 55.300 -0.051 0.000 1.078 557 M CB 0.865 33.265 32.600 -0.334 0.000 1.380 557 M HN -0.160 nan 8.290 nan 0.000 0.499 558 M N 1.507 121.024 119.600 -0.138 0.000 2.484 558 M HA 0.397 4.877 4.480 -0.000 0.000 0.289 558 M C -0.380 175.890 176.300 -0.050 0.000 1.206 558 M CA -0.718 54.436 55.300 -0.244 0.000 0.892 558 M CB 2.839 35.341 32.600 -0.163 0.000 1.712 558 M HN 0.277 nan 8.290 nan 0.000 0.462 559 S N 1.141 116.770 115.700 -0.118 0.000 2.600 559 S HA 0.477 4.947 4.470 -0.000 0.000 0.265 559 S C 1.077 175.712 174.600 0.059 0.000 1.325 559 S CA -0.048 58.198 58.200 0.076 0.000 1.002 559 S CB 1.228 64.457 63.200 0.049 0.000 0.921 559 S HN 0.802 nan 8.310 nan 0.000 0.554 560 A N 1.640 124.509 122.820 0.081 0.000 1.940 560 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 560 A C 2.489 180.105 177.584 0.053 0.000 1.176 560 A CA 2.033 54.110 52.037 0.067 0.000 0.631 560 A CB -1.614 17.424 19.000 0.064 0.000 0.814 560 A HN 1.350 nan 8.150 nan 0.000 0.446 561 S N -0.352 115.368 115.700 0.033 0.000 2.406 561 S HA -0.131 4.339 4.470 -0.000 0.000 0.228 561 S C 1.643 176.233 174.600 -0.018 0.000 1.020 561 S CA 1.223 59.427 58.200 0.007 0.000 0.965 561 S CB -0.398 62.801 63.200 -0.001 0.000 0.798 561 S HN 0.648 nan 8.310 nan 0.000 0.488 562 E N 1.323 121.510 120.200 -0.021 0.000 2.077 562 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 562 E C 2.039 178.623 176.600 -0.027 0.000 0.989 562 E CA 1.383 57.761 56.400 -0.038 0.000 0.800 562 E CB -0.385 29.283 29.700 -0.054 0.000 0.746 562 E HN 0.510 nan 8.360 nan 0.000 0.452 563 L N 0.688 121.918 121.223 0.011 0.000 2.093 563 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 563 L C 2.233 179.182 176.870 0.132 0.000 1.085 563 L CA 1.105 55.984 54.840 0.065 0.000 0.755 563 L CB -0.266 41.847 42.059 0.089 0.000 0.904 563 L HN 0.120 nan 8.230 nan 0.000 0.435 564 D N -0.440 120.019 120.400 0.098 0.000 2.097 564 D HA -0.176 4.464 4.640 -0.000 0.000 0.195 564 D C 2.052 178.153 176.300 -0.332 0.000 0.989 564 D CA 1.648 55.668 54.000 0.033 0.000 0.827 564 D CB 0.134 40.958 40.800 0.040 0.000 0.966 564 D HN 0.107 nan 8.370 nan 0.000 0.456 565 T N 0.163 114.585 114.554 -0.221 0.000 2.759 565 T HA -0.202 4.147 4.350 -0.000 0.000 0.269 565 T C 1.916 176.442 174.700 -0.290 0.000 1.042 565 T CA 1.270 63.215 62.100 -0.258 0.000 1.140 565 T CB -0.327 68.453 68.868 -0.147 0.000 0.864 565 T HN 0.235 nan 8.240 nan 0.000 0.455 566 M N 0.760 120.234 119.600 -0.210 0.000 2.065 566 M HA -0.119 4.361 4.480 -0.000 0.000 0.259 566 M C 2.351 178.372 176.300 -0.465 0.000 1.069 566 M CA 1.977 57.140 55.300 -0.228 0.000 1.110 566 M CB -0.251 32.278 32.600 -0.118 0.000 1.328 566 M HN 0.620 nan 8.290 nan 0.000 0.405 567 W N 0.537 121.472 121.300 -0.610 0.000 2.476 567 W HA -0.025 4.634 4.660 -0.000 0.000 0.281 567 W C 1.391 177.682 176.519 -0.380 0.000 1.230 567 W CA 0.565 57.406 57.345 -0.840 0.000 1.287 567 W CB -0.933 28.186 29.460 -0.568 0.000 1.108 567 W HN 0.177 nan 8.180 nan 0.000 0.567 568 K N 0.610 120.345 120.400 -1.108 0.000 2.155 568 K HA -0.136 4.184 4.320 -0.000 0.000 0.203 568 K C 0.357 176.695 176.600 -0.437 0.000 1.052 568 K CA 1.047 56.761 56.287 -0.954 0.000 0.948 568 K CB -0.220 31.657 32.500 -1.040 0.000 0.728 568 K HN -0.067 nan 8.250 nan 0.000 0.448 569 N N -0.161 118.327 118.700 -0.354 0.000 2.707 569 N HA 0.163 4.903 4.740 -0.000 0.000 0.249 569 N C -2.610 172.820 175.510 -0.134 0.000 1.299 569 N CA -1.781 51.150 53.050 -0.198 0.000 0.769 569 N CB 1.317 39.700 38.487 -0.174 0.000 1.236 569 N HN -0.249 nan 8.380 nan 0.000 0.524 570 P HA -0.015 nan 4.420 nan 0.000 0.225 570 P C 0.793 178.114 177.300 0.036 0.000 1.148 570 P CA 0.859 63.969 63.100 0.016 0.000 0.779 570 P CB 0.403 32.200 31.700 0.162 0.000 0.780 571 S N -0.812 114.894 115.700 0.010 0.000 2.474 571 S HA 0.060 4.529 4.470 -0.000 0.000 0.235 571 S C 1.179 175.776 174.600 -0.005 0.000 0.997 571 S CA 0.419 58.626 58.200 0.011 0.000 0.949 571 S CB -0.665 62.536 63.200 0.002 0.000 0.766 571 S HN 0.193 nan 8.310 nan 0.000 0.517 572 A N 1.765 124.569 122.820 -0.026 0.000 2.386 572 A HA 0.302 4.622 4.320 -0.000 0.000 0.248 572 A C 0.327 177.902 177.584 -0.015 0.000 1.082 572 A CA -0.226 51.793 52.037 -0.030 0.000 0.789 572 A CB 0.185 19.151 19.000 -0.056 0.000 1.025 572 A HN 0.305 nan 8.150 nan 0.000 0.490 573 K N 1.038 121.433 120.400 -0.008 0.000 2.382 573 K HA 0.160 4.480 4.320 -0.000 0.000 0.275 573 K C -0.448 176.158 176.600 0.011 0.000 1.009 573 K CA 0.230 56.520 56.287 0.004 0.000 0.970 573 K CB 0.293 32.803 32.500 0.016 0.000 0.934 573 K HN 0.601 nan 8.250 nan 0.000 0.479 574 Q N 2.516 122.323 119.800 0.011 0.000 2.325 574 Q HA 0.053 4.393 4.340 -0.000 0.000 0.270 574 Q C -0.030 176.008 176.000 0.064 0.000 1.020 574 Q CA -0.288 55.532 55.803 0.028 0.000 0.785 574 Q CB 1.335 30.065 28.738 -0.013 0.000 1.259 574 Q HN 0.655 nan 8.270 nan 0.000 0.452 575 Y N 3.151 123.437 120.300 -0.023 0.000 2.224 575 Y HA -0.193 4.357 4.550 -0.000 0.000 0.289 575 Y C 1.428 177.297 175.900 -0.052 0.000 1.146 575 Y CA 1.980 60.065 58.100 -0.026 0.000 1.182 575 Y CB 0.394 38.836 38.460 -0.030 0.000 0.983 575 Y HN 0.684 nan 8.280 nan 0.000 0.524 576 H N -0.242 118.785 119.070 -0.071 0.000 2.556 576 H HA 0.063 4.619 4.556 -0.000 0.000 0.273 576 H C 1.785 176.959 175.328 -0.257 0.000 1.030 576 H CA 0.469 56.317 56.048 -0.333 0.000 1.156 576 H CB 0.231 29.658 29.762 -0.559 0.000 1.326 576 H HN 0.414 nan 8.280 nan 0.000 0.609 577 R N 0.123 120.516 120.500 -0.179 0.000 1.855 577 R HA 0.100 4.440 4.340 -0.000 0.000 0.168 577 R C 0.084 176.123 176.300 -0.435 0.000 1.791 577 R CA 0.253 56.089 56.100 -0.441 0.000 1.428 577 R CB 0.550 30.584 30.300 -0.443 0.000 1.037 577 R HN 0.052 nan 8.270 nan 0.000 0.483 578 S N -1.320 114.197 115.700 -0.305 0.000 2.541 578 S HA 0.152 4.622 4.470 -0.000 0.000 0.271 578 S C 0.308 174.866 174.600 -0.070 0.000 1.133 578 S CA -0.348 57.750 58.200 -0.171 0.000 0.876 578 S CB 1.820 64.949 63.200 -0.118 0.000 1.105 578 S HN 0.479 nan 8.310 nan 0.000 0.470 579 S N 2.183 117.854 115.700 -0.047 0.000 2.474 579 S HA 0.025 4.495 4.470 -0.000 0.000 0.235 579 S C 1.009 175.632 174.600 0.039 0.000 0.997 579 S CA 0.687 58.881 58.200 -0.010 0.000 0.949 579 S CB -0.365 62.820 63.200 -0.025 0.000 0.766 579 S HN 0.733 nan 8.310 nan 0.000 0.517 580 S N 1.263 117.016 115.700 0.088 0.000 2.549 580 S HA 0.094 4.564 4.470 -0.000 0.000 0.283 580 S C 0.764 175.381 174.600 0.028 0.000 1.320 580 S CA -0.537 57.727 58.200 0.106 0.000 1.058 580 S CB 0.326 63.679 63.200 0.256 0.000 0.882 580 S HN 0.300 nan 8.310 nan 0.000 0.498 581 D N 3.544 123.940 120.400 -0.006 0.000 2.117 581 D HA -0.082 4.558 4.640 -0.000 0.000 0.197 581 D C 1.810 178.032 176.300 -0.130 0.000 0.987 581 D CA 1.548 55.524 54.000 -0.041 0.000 0.829 581 D CB -0.536 40.251 40.800 -0.022 0.000 0.961 581 D HN 0.662 nan 8.370 nan 0.000 0.460 582 T N 0.156 114.546 114.554 -0.274 0.000 2.759 582 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 582 T C 0.968 175.243 174.700 -0.708 0.000 1.042 582 T CA 0.843 62.548 62.100 -0.659 0.000 1.140 582 T CB -0.133 68.073 68.868 -1.104 0.000 0.864 582 T HN 0.093 nan 8.240 nan 0.000 0.455 583 F N 0.198 120.108 119.950 -0.066 0.000 2.791 583 F HA 0.492 5.019 4.527 -0.000 0.000 0.308 583 F C 1.714 177.425 175.800 -0.149 0.000 1.138 583 F CA -1.329 56.615 58.000 -0.094 0.000 1.294 583 F CB -0.140 38.819 39.000 -0.068 0.000 0.975 583 F HN 0.080 nan 8.300 nan 0.000 0.512 584 G N 0.037 108.841 108.800 0.007 0.000 2.712 584 G HA2 -0.014 3.945 3.960 -0.000 0.000 0.212 584 G HA3 -0.014 3.945 3.960 -0.000 0.000 0.212 584 G C 0.520 175.406 174.900 -0.023 0.000 1.142 584 G CA 0.309 45.398 45.100 -0.019 0.000 0.789 584 G HN 0.424 nan 8.290 nan 0.000 0.535 585 N N -1.224 117.474 118.700 -0.003 0.000 3.102 585 N HA 0.451 5.191 4.740 -0.000 0.000 0.299 585 N C -0.164 175.374 175.510 0.047 0.000 1.482 585 N CA -1.006 52.051 53.050 0.012 0.000 0.785 585 N CB 0.617 39.114 38.487 0.018 0.000 1.680 585 N HN -0.120 nan 8.380 nan 0.000 0.594 586 L N -0.644 120.629 121.223 0.083 0.000 3.017 586 L HA 0.404 4.744 4.340 -0.000 0.000 0.255 586 L C 1.765 178.774 176.870 0.231 0.000 1.247 586 L CA -0.347 54.598 54.840 0.175 0.000 1.038 586 L CB -0.067 42.123 42.059 0.218 0.000 1.380 586 L HN 0.670 nan 8.230 nan 0.000 0.548 587 K N 1.467 121.956 120.400 0.148 0.000 1.991 587 K HA -0.141 4.179 4.320 -0.000 0.000 0.212 587 K C 1.954 178.636 176.600 0.137 0.000 1.049 587 K CA 1.629 57.987 56.287 0.119 0.000 0.932 587 K CB -0.023 32.518 32.500 0.069 0.000 0.717 587 K HN 0.308 nan 8.250 nan 0.000 0.441 588 L N 0.215 121.522 121.223 0.140 0.000 2.043 588 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 588 L C 2.528 179.515 176.870 0.196 0.000 1.075 588 L CA 1.483 56.408 54.840 0.142 0.000 0.752 588 L CB -0.549 41.567 42.059 0.095 0.000 0.891 588 L HN 0.262 nan 8.230 nan 0.000 0.432 589 F N 0.783 120.812 119.950 0.133 0.000 2.075 589 F HA -0.132 4.395 4.527 -0.000 0.000 0.297 589 F C 2.269 178.092 175.800 0.038 0.000 1.113 589 F CA 1.686 59.740 58.000 0.090 0.000 1.218 589 F CB -0.664 38.443 39.000 0.177 0.000 0.984 589 F HN -0.026 nan 8.300 nan 0.000 0.472 590 G N -0.194 108.736 108.800 0.217 0.000 2.418 590 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 590 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 590 G C 1.319 176.220 174.900 0.001 0.000 1.158 590 G CA 1.086 46.288 45.100 0.170 0.000 0.771 590 G HN 0.346 nan 8.290 nan 0.000 0.545 591 D N 1.069 121.467 120.400 -0.005 0.000 2.104 591 D HA -0.065 4.575 4.640 -0.000 0.000 0.194 591 D C 2.786 178.994 176.300 -0.154 0.000 0.994 591 D CA 1.406 55.371 54.000 -0.059 0.000 0.830 591 D CB -0.489 40.305 40.800 -0.010 0.000 0.959 591 D HN 0.324 nan 8.370 nan 0.000 0.452 592 A N 0.228 122.935 122.820 -0.188 0.000 1.968 592 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 592 A C 2.141 179.553 177.584 -0.288 0.000 1.169 592 A CA 0.623 52.511 52.037 -0.247 0.000 0.638 592 A CB -0.579 18.064 19.000 -0.594 0.000 0.812 592 A HN 0.186 nan 8.150 nan 0.000 0.446 593 L N -0.217 120.769 121.223 -0.395 0.000 1.994 593 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 593 L C 2.619 179.471 176.870 -0.030 0.000 1.071 593 L CA 2.673 57.363 54.840 -0.251 0.000 0.745 593 L CB -0.909 40.864 42.059 -0.478 0.000 0.892 593 L HN 0.381 nan 8.230 nan 0.000 0.431 594 T N -0.575 113.950 114.554 -0.048 0.000 2.684 594 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 594 T C 1.896 176.557 174.700 -0.065 0.000 1.036 594 T CA 1.827 63.920 62.100 -0.013 0.000 1.148 594 T CB -0.184 68.676 68.868 -0.014 0.000 0.863 594 T HN 0.308 nan 8.240 nan 0.000 0.436 595 K N 0.207 120.500 120.400 -0.178 0.000 2.217 595 K HA 0.057 4.377 4.320 -0.000 0.000 0.202 595 K C 2.523 179.050 176.600 -0.122 0.000 1.051 595 K CA 0.839 56.959 56.287 -0.278 0.000 0.952 595 K CB 0.056 32.095 32.500 -0.769 0.000 0.736 595 K HN 0.258 nan 8.250 nan 0.000 0.453 596 R N -0.989 119.481 120.500 -0.049 0.000 2.121 596 R HA 0.069 4.409 4.340 -0.000 0.000 0.206 596 R C 1.877 178.018 176.300 -0.265 0.000 1.094 596 R CA 0.406 56.459 56.100 -0.079 0.000 1.055 596 R CB -0.132 30.131 30.300 -0.062 0.000 0.964 596 R HN 0.131 nan 8.270 nan 0.000 0.473 597 Y N 1.048 121.352 120.300 0.007 0.000 2.403 597 Y HA 0.051 4.601 4.550 -0.000 0.000 0.291 597 Y C 1.250 177.168 175.900 0.029 0.000 1.143 597 Y CA 0.879 58.987 58.100 0.013 0.000 1.257 597 Y CB -0.250 38.209 38.460 -0.000 0.000 0.984 597 Y HN 0.251 nan 8.280 nan 0.000 0.550 598 G N -0.169 108.703 108.800 0.120 0.000 2.785 598 G HA2 0.123 4.082 3.960 -0.000 0.000 0.686 598 G HA3 0.123 4.082 3.960 -0.000 0.000 0.686 598 G C -0.336 174.628 174.900 0.107 0.000 1.155 598 G CA -1.135 44.023 45.100 0.095 0.000 0.760 598 G HN 0.597 nan 8.290 nan 0.000 0.624 599 A N 1.713 124.583 122.820 0.084 0.000 2.561 599 A HA 0.555 4.875 4.320 -0.000 0.000 0.234 599 A C 1.213 178.882 177.584 0.141 0.000 1.055 599 A CA 1.181 53.284 52.037 0.110 0.000 0.756 599 A CB 0.092 19.145 19.000 0.089 0.000 0.986 599 A HN 2.030 nan 8.150 nan 0.000 0.505 600 S N 1.427 117.253 115.700 0.210 0.000 2.531 600 S HA 0.352 4.821 4.470 -0.000 0.000 0.279 600 S C 1.378 176.066 174.600 0.147 0.000 1.305 600 S CA -0.002 58.319 58.200 0.201 0.000 1.058 600 S CB 1.396 64.818 63.200 0.369 0.000 0.899 600 S HN 1.086 nan 8.310 nan 0.000 0.493 601 A N 3.230 126.038 122.820 -0.019 0.000 2.072 601 A HA 0.183 4.502 4.320 -0.000 0.000 0.216 601 A C 0.693 178.095 177.584 -0.303 0.000 1.156 601 A CA 0.797 52.797 52.037 -0.063 0.000 0.701 601 A CB -0.458 18.493 19.000 -0.082 0.000 0.816 601 A HN 0.949 nan 8.150 nan 0.000 0.458 602 N N -4.274 113.967 118.700 -0.765 0.000 3.465 602 N HA 0.157 4.897 4.740 -0.000 0.000 0.244 602 N C -0.148 174.444 175.510 -1.530 0.000 1.454 602 N CA -0.197 51.955 53.050 -1.497 0.000 0.865 602 N CB -0.060 38.027 38.487 -0.667 0.000 1.439 602 N HN -0.026 nan 8.380 nan 0.000 0.480 603 L N 0.409 120.729 121.223 -1.505 0.000 1.989 603 L HA 0.039 4.378 4.340 -0.000 0.000 0.211 603 L C 1.270 177.963 176.870 -0.295 0.000 1.071 603 L CA 2.086 56.437 54.840 -0.814 0.000 0.749 603 L CB -1.221 40.621 42.059 -0.362 0.000 0.890 603 L HN 0.649 nan 8.230 nan 0.000 0.431 604 N N -0.034 118.502 118.700 -0.274 0.000 2.137 604 N HA -0.228 4.512 4.740 -0.000 0.000 0.190 604 N C 1.631 177.041 175.510 -0.167 0.000 1.017 604 N CA 1.621 54.566 53.050 -0.175 0.000 0.859 604 N CB -0.581 37.795 38.487 -0.184 0.000 1.002 604 N HN 0.511 nan 8.380 nan 0.000 0.428 605 D N 0.029 120.302 120.400 -0.212 0.000 2.097 605 D HA -0.124 4.516 4.640 -0.000 0.000 0.195 605 D C 1.781 178.060 176.300 -0.035 0.000 0.989 605 D CA 0.584 54.489 54.000 -0.159 0.000 0.827 605 D CB -0.307 40.398 40.800 -0.159 0.000 0.966 605 D HN 0.193 nan 8.370 nan 0.000 0.456 606 F N 0.392 120.264 119.950 -0.130 0.000 2.126 606 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 606 F C 2.076 177.894 175.800 0.031 0.000 1.096 606 F CA 1.245 59.249 58.000 0.008 0.000 1.255 606 F CB -0.309 38.756 39.000 0.108 0.000 0.997 606 F HN -0.107 nan 8.300 nan 0.000 0.479 607 V N 2.506 122.463 119.914 0.072 0.000 2.379 607 V HA -0.267 3.852 4.120 -0.000 0.000 0.245 607 V C 2.663 178.722 176.094 -0.059 0.000 1.044 607 V CA 2.141 64.443 62.300 0.005 0.000 1.036 607 V CB -0.913 30.956 31.823 0.076 0.000 0.664 607 V HN 0.425 nan 8.190 nan 0.000 0.453 608 R N 0.996 121.463 120.500 -0.054 0.000 2.092 608 R HA -0.168 4.172 4.340 -0.000 0.000 0.231 608 R C 2.091 178.406 176.300 0.025 0.000 1.119 608 R CA 1.652 57.748 56.100 -0.006 0.000 0.970 608 R CB -0.507 29.741 30.300 -0.086 0.000 0.864 608 R HN 0.396 nan 8.270 nan 0.000 0.440 609 K N 0.903 121.268 120.400 -0.059 0.000 2.097 609 K HA 0.021 4.341 4.320 -0.000 0.000 0.205 609 K C 2.339 178.667 176.600 -0.454 0.000 1.050 609 K CA 1.280 57.391 56.287 -0.293 0.000 0.938 609 K CB -0.174 32.175 32.500 -0.252 0.000 0.718 609 K HN 0.278 nan 8.250 nan 0.000 0.442 610 A N 1.537 124.167 122.820 -0.317 0.000 1.908 610 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 610 A C 2.071 179.655 177.584 0.001 0.000 1.181 610 A CA 1.456 53.437 52.037 -0.093 0.000 0.627 610 A CB -0.374 18.543 19.000 -0.138 0.000 0.818 610 A HN 0.199 nan 8.150 nan 0.000 0.445 611 Q N -0.131 119.643 119.800 -0.044 0.000 2.119 611 Q HA -0.048 4.292 4.340 -0.000 0.000 0.201 611 Q C 2.183 178.175 176.000 -0.012 0.000 0.972 611 Q CA 1.164 56.991 55.803 0.040 0.000 0.847 611 Q CB -0.616 28.180 28.738 0.096 0.000 0.903 611 Q HN 0.729 nan 8.270 nan 0.000 0.433 612 L N 0.054 121.108 121.223 -0.283 0.000 2.056 612 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 612 L C 2.576 179.587 176.870 0.235 0.000 1.078 612 L CA 1.190 55.859 54.840 -0.285 0.000 0.749 612 L CB -0.593 41.015 42.059 -0.751 0.000 0.901 612 L HN 0.190 nan 8.230 nan 0.000 0.433 613 S N -0.459 115.235 115.700 -0.009 0.000 2.370 613 S HA -0.250 4.220 4.470 -0.000 0.000 0.226 613 S C 1.952 176.819 174.600 0.445 0.000 1.033 613 S CA 1.604 59.978 58.200 0.290 0.000 1.011 613 S CB -0.030 63.232 63.200 0.103 0.000 0.852 613 S HN 0.441 nan 8.310 nan 0.000 0.457 614 Q N -1.063 118.962 119.800 0.375 0.000 2.049 614 Q HA -0.084 4.255 4.340 -0.000 0.000 0.198 614 Q C 1.928 178.142 176.000 0.356 0.000 0.971 614 Q CA 1.763 57.784 55.803 0.363 0.000 0.833 614 Q CB -0.391 28.507 28.738 0.267 0.000 0.896 614 Q HN 0.756 nan 8.270 nan 0.000 0.434 615 Y N 1.784 122.249 120.300 0.276 0.000 2.053 615 Y HA -0.344 4.206 4.550 -0.000 0.000 0.277 615 Y C 2.445 178.514 175.900 0.281 0.000 1.159 615 Y CA 2.094 60.380 58.100 0.311 0.000 1.125 615 Y CB -0.010 38.725 38.460 0.458 0.000 0.969 615 Y HN 0.145 nan 8.280 nan 0.000 0.492 616 E N -0.138 120.463 120.200 0.668 0.000 2.086 616 E HA -0.327 4.023 4.350 -0.000 0.000 0.200 616 E C 2.073 178.866 176.600 0.322 0.000 1.012 616 E CA 1.630 58.260 56.400 0.383 0.000 0.812 616 E CB -0.382 29.558 29.700 0.401 0.000 0.743 616 E HN 0.513 nan 8.360 nan 0.000 0.453 617 N N -0.104 118.813 118.700 0.362 0.000 2.173 617 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 617 N C 1.997 177.650 175.510 0.238 0.000 1.025 617 N CA 1.101 54.364 53.050 0.356 0.000 0.852 617 N CB 0.101 38.842 38.487 0.424 0.000 0.998 617 N HN 0.063 nan 8.380 nan 0.000 0.427 618 V N 2.007 122.028 119.914 0.178 0.000 2.343 618 V HA -0.169 3.950 4.120 -0.000 0.000 0.247 618 V C 2.680 178.798 176.094 0.041 0.000 1.051 618 V CA 1.522 63.851 62.300 0.048 0.000 1.036 618 V CB -0.565 31.215 31.823 -0.071 0.000 0.654 618 V HN 0.345 nan 8.190 nan 0.000 0.451 619 R N 0.525 121.036 120.500 0.019 0.000 2.083 619 R HA -0.189 4.151 4.340 -0.000 0.000 0.237 619 R C 2.317 178.726 176.300 0.180 0.000 1.137 619 R CA 1.870 57.989 56.100 0.032 0.000 0.951 619 R CB -0.520 29.747 30.300 -0.055 0.000 0.851 619 R HN 0.455 nan 8.270 nan 0.000 0.434 620 A N 0.940 123.923 122.820 0.272 0.000 1.940 620 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 620 A C 2.058 179.680 177.584 0.065 0.000 1.176 620 A CA 1.755 54.029 52.037 0.395 0.000 0.631 620 A CB -0.633 18.706 19.000 0.565 0.000 0.814 620 A HN 0.653 nan 8.150 nan 0.000 0.446 621 E N -1.174 118.827 120.200 -0.333 0.000 2.031 621 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 621 E C 1.703 177.972 176.600 -0.552 0.000 0.994 621 E CA 1.474 57.270 56.400 -1.007 0.000 0.800 621 E CB -0.235 28.576 29.700 -1.482 0.000 0.752 621 E HN 0.619 nan 8.360 nan 0.000 0.447 622 F N 1.241 121.004 119.950 -0.313 0.000 2.146 622 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 622 F C 2.393 178.145 175.800 -0.081 0.000 1.096 622 F CA 1.340 59.209 58.000 -0.219 0.000 1.275 622 F CB -0.168 38.690 39.000 -0.236 0.000 1.008 622 F HN 0.058 nan 8.300 nan 0.000 0.480 623 E N -0.002 120.300 120.200 0.170 0.000 2.077 623 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 623 E C 2.359 179.019 176.600 0.101 0.000 0.989 623 E CA 1.580 58.106 56.400 0.211 0.000 0.800 623 E CB -0.277 29.638 29.700 0.359 0.000 0.746 623 E HN 0.420 nan 8.360 nan 0.000 0.452 624 S N 0.659 116.257 115.700 -0.169 0.000 2.359 624 S HA -0.248 4.222 4.470 -0.000 0.000 0.224 624 S C 1.802 176.278 174.600 -0.206 0.000 1.035 624 S CA 1.556 59.430 58.200 -0.544 0.000 1.018 624 S CB -0.632 61.989 63.200 -0.964 0.000 0.876 624 S HN 0.319 nan 8.310 nan 0.000 0.448 625 H N 1.370 120.333 119.070 -0.179 0.000 2.389 625 H HA 0.161 4.717 4.556 -0.000 0.000 0.299 625 H C 2.580 177.902 175.328 -0.012 0.000 1.081 625 H CA 1.496 57.476 56.048 -0.114 0.000 1.345 625 H CB -0.457 29.170 29.762 -0.225 0.000 1.393 625 H HN 0.390 nan 8.280 nan 0.000 0.520 626 S N -0.178 115.599 115.700 0.128 0.000 2.368 626 S HA -0.150 4.320 4.470 -0.000 0.000 0.225 626 S C 2.114 176.820 174.600 0.177 0.000 1.030 626 S CA 1.083 59.365 58.200 0.136 0.000 0.999 626 S CB -0.036 63.243 63.200 0.132 0.000 0.844 626 S HN 0.385 nan 8.310 nan 0.000 0.459 627 R N 1.402 121.992 120.500 0.151 0.000 2.066 627 R HA -0.017 4.322 4.340 -0.000 0.000 0.232 627 R C 1.038 177.416 176.300 0.131 0.000 1.131 627 R CA 1.444 57.635 56.100 0.151 0.000 0.955 627 R CB -0.252 30.157 30.300 0.181 0.000 0.851 627 R HN 0.258 nan 8.270 nan 0.000 0.432 628 N N 0.073 118.833 118.700 0.100 0.000 2.521 628 N HA -0.129 4.611 4.740 -0.000 0.000 0.188 628 N C 0.937 176.524 175.510 0.127 0.000 1.146 628 N CA 0.363 53.462 53.050 0.082 0.000 0.893 628 N CB -0.224 38.279 38.487 0.027 0.000 0.975 628 N HN 0.339 nan 8.380 nan 0.000 0.451 629 Y N 1.820 122.140 120.300 0.033 0.000 2.274 629 Y HA -0.137 4.413 4.550 -0.000 0.000 0.290 629 Y C 1.771 177.701 175.900 0.051 0.000 1.145 629 Y CA 1.439 59.566 58.100 0.046 0.000 1.203 629 Y CB -0.479 38.013 38.460 0.052 0.000 0.984 629 Y HN 0.080 nan 8.280 nan 0.000 0.533 630 T N -2.150 112.329 114.554 -0.124 0.000 3.206 630 T HA 0.157 4.507 4.350 -0.000 0.000 0.253 630 T C -0.057 174.588 174.700 -0.091 0.000 1.042 630 T CA -0.326 61.649 62.100 -0.208 0.000 0.931 630 T CB -0.482 68.305 68.868 -0.136 0.000 1.029 630 T HN 0.011 nan 8.240 nan 0.000 0.564 631 D N 2.238 122.614 120.400 -0.040 0.000 2.443 631 D HA 0.174 4.814 4.640 -0.000 0.000 0.239 631 D C 1.109 177.388 176.300 -0.035 0.000 1.136 631 D CA -0.045 53.943 54.000 -0.020 0.000 0.879 631 D CB 1.380 42.184 40.800 0.007 0.000 1.195 631 D HN 0.210 nan 8.370 nan 0.000 0.443 632 S N 0.138 115.820 115.700 -0.030 0.000 2.428 632 S HA -0.043 4.426 4.470 -0.000 0.000 0.230 632 S C 0.887 175.474 174.600 -0.022 0.000 1.014 632 S CA 0.660 58.842 58.200 -0.030 0.000 0.957 632 S CB 0.175 63.359 63.200 -0.027 0.000 0.784 632 S HN 0.442 nan 8.310 nan 0.000 0.499 633 T N 2.947 117.488 114.554 -0.020 0.000 2.824 633 T HA 0.376 4.726 4.350 -0.000 0.000 0.282 633 T C -0.103 174.592 174.700 -0.009 0.000 0.993 633 T CA -0.691 61.396 62.100 -0.021 0.000 0.967 633 T CB 0.975 69.818 68.868 -0.041 0.000 0.960 633 T HN 0.177 nan 8.240 nan 0.000 0.441 634 N N 2.977 121.685 118.700 0.013 0.000 2.686 634 N HA -0.111 4.629 4.740 -0.000 0.000 0.261 634 N C -2.520 173.062 175.510 0.119 0.000 1.001 634 N CA 0.186 53.276 53.050 0.067 0.000 0.764 634 N CB -0.106 38.379 38.487 -0.004 0.000 0.898 634 N HN 0.396 nan 8.380 nan 0.000 0.544 635 P HA 0.053 nan 4.420 nan 0.000 0.272 635 P C -0.195 177.209 177.300 0.174 0.000 1.230 635 P CA -0.148 63.018 63.100 0.109 0.000 0.788 635 P CB 0.478 32.209 31.700 0.051 0.000 0.949 636 S N -0.313 115.479 115.700 0.153 0.000 2.549 636 S HA 0.236 4.706 4.470 -0.000 0.000 0.279 636 S C 1.059 175.797 174.600 0.230 0.000 1.321 636 S CA 0.047 58.322 58.200 0.125 0.000 1.054 636 S CB -0.229 62.970 63.200 -0.002 0.000 0.899 636 S HN 0.661 nan 8.310 nan 0.000 0.497 637 T N -1.154 113.498 114.554 0.164 0.000 2.975 637 T HA 0.527 4.876 4.350 -0.000 0.000 0.261 637 T C 0.599 175.251 174.700 -0.080 0.000 0.984 637 T CA 0.141 62.378 62.100 0.229 0.000 0.911 637 T CB 0.187 69.267 68.868 0.352 0.000 1.127 637 T HN 1.170 nan 8.240 nan 0.000 0.514 638 G N 0.919 109.400 108.800 -0.532 0.000 2.702 638 G HA2 0.559 4.519 3.960 -0.000 0.000 0.296 638 G HA3 0.559 4.519 3.960 -0.000 0.000 0.296 638 G C -2.546 171.758 174.900 -0.993 0.000 1.463 638 G CA -0.783 43.519 45.100 -1.330 0.000 0.890 638 G HN 0.411 nan 8.290 nan 0.000 0.534 639 L N 2.030 122.800 121.223 -0.755 0.000 2.476 639 L HA 0.720 5.059 4.340 -0.000 0.000 0.269 639 L C -1.347 175.276 176.870 -0.413 0.000 0.965 639 L CA -0.858 53.577 54.840 -0.676 0.000 0.845 639 L CB 1.701 43.190 42.059 -0.950 0.000 1.259 639 L HN 0.414 nan 8.230 nan 0.000 0.403 640 I N 5.521 125.924 120.570 -0.279 0.000 2.371 640 I HA 0.180 4.350 4.170 -0.000 0.000 0.282 640 I C -0.554 175.517 176.117 -0.076 0.000 1.031 640 I CA -0.535 60.732 61.300 -0.055 0.000 1.180 640 I CB 0.866 38.931 38.000 0.108 0.000 1.336 640 I HN 0.655 nan 8.210 nan 0.000 0.467 641 Y N 6.129 126.322 120.300 -0.179 0.000 2.620 641 Y HA -0.045 4.505 4.550 -0.000 0.000 0.330 641 Y C -0.061 175.829 175.900 -0.016 0.000 1.186 641 Y CA 0.278 58.264 58.100 -0.190 0.000 1.467 641 Y CB 0.631 39.040 38.460 -0.085 0.000 1.262 641 Y HN 0.538 nan 8.280 nan 0.000 0.550 642 W N 10.571 131.258 121.300 -1.022 0.000 2.316 642 W HA 0.381 5.041 4.660 -0.000 0.000 0.339 642 W C -1.404 174.596 176.519 -0.865 0.000 1.002 642 W CA -0.595 56.226 57.345 -0.873 0.000 1.465 642 W CB 0.446 29.381 29.460 -0.874 0.000 1.300 642 W HN 0.624 nan 8.180 nan 0.000 0.378 643 M N 2.944 122.207 119.600 -0.560 0.000 2.719 643 M HA 0.159 4.639 4.480 -0.000 0.000 0.291 643 M C 0.854 177.052 176.300 -0.170 0.000 1.264 643 M CA -0.860 54.053 55.300 -0.644 0.000 0.811 643 M CB 2.082 33.964 32.600 -1.196 0.000 1.756 643 M HN 0.196 nan 8.290 nan 0.000 0.464 644 L N 1.835 122.916 121.223 -0.238 0.000 2.042 644 L HA -0.103 4.236 4.340 -0.000 0.000 0.210 644 L C 0.535 177.081 176.870 -0.541 0.000 1.076 644 L CA 1.874 56.584 54.840 -0.217 0.000 0.749 644 L CB -0.158 41.837 42.059 -0.107 0.000 0.893 644 L HN 0.888 nan 8.230 nan 0.000 0.432 645 N N -2.819 115.508 118.700 -0.620 0.000 3.106 645 N HA 0.223 4.963 4.740 -0.000 0.000 0.253 645 N C -1.331 173.877 175.510 -0.503 0.000 1.506 645 N CA -0.304 52.294 53.050 -0.753 0.000 0.876 645 N CB 1.264 39.097 38.487 -1.089 0.000 1.452 645 N HN -0.084 nan 8.380 nan 0.000 0.542 646 S N -1.149 114.330 115.700 -0.368 0.000 2.566 646 S HA 0.632 5.102 4.470 -0.000 0.000 0.298 646 S C -2.083 172.406 174.600 -0.185 0.000 1.083 646 S CA -1.708 56.359 58.200 -0.222 0.000 0.978 646 S CB 1.187 64.316 63.200 -0.119 0.000 1.073 646 S HN 0.434 nan 8.310 nan 0.000 0.491 647 P HA 0.112 nan 4.420 nan 0.000 0.230 647 P C -0.226 176.960 177.300 -0.191 0.000 1.158 647 P CA 0.825 63.770 63.100 -0.259 0.000 0.769 647 P CB 0.003 31.317 31.700 -0.643 0.000 0.807 648 W N -1.959 119.011 121.300 -0.551 0.000 2.894 648 W HA 0.346 5.005 4.660 -0.000 0.000 0.424 648 W C -1.216 174.749 176.519 -0.924 0.000 1.072 648 W CA -0.684 56.077 57.345 -0.974 0.000 1.194 648 W CB -0.688 28.344 29.460 -0.713 0.000 1.471 648 W HN -0.325 nan 8.180 nan 0.000 0.608 649 T N 1.287 115.000 114.554 -1.402 0.000 2.793 649 T HA 0.414 4.764 4.350 -0.000 0.000 0.289 649 T C -0.135 173.931 174.700 -1.057 0.000 0.956 649 T CA 0.300 61.758 62.100 -1.070 0.000 1.177 649 T CB 0.691 69.034 68.868 -0.875 0.000 0.897 649 T HN 0.727 nan 8.240 nan 0.000 0.533 650 S N 2.223 117.566 115.700 -0.596 0.000 2.599 650 S HA 0.576 5.046 4.470 -0.000 0.000 0.287 650 S C 0.485 174.952 174.600 -0.222 0.000 1.105 650 S CA -1.061 56.919 58.200 -0.367 0.000 0.899 650 S CB 1.183 64.315 63.200 -0.113 0.000 1.100 650 S HN 0.728 nan 8.310 nan 0.000 0.482 651 L N 2.603 123.724 121.223 -0.170 0.000 2.640 651 L HA 0.384 4.723 4.340 -0.000 0.000 0.230 651 L C 0.586 177.409 176.870 -0.079 0.000 1.123 651 L CA -0.083 54.678 54.840 -0.132 0.000 0.900 651 L CB -0.374 41.604 42.059 -0.136 0.000 1.146 651 L HN 0.777 nan 8.230 nan 0.000 0.484 652 H N -5.994 112.947 119.070 -0.216 0.000 2.990 652 H HA 0.211 4.767 4.556 -0.000 0.000 0.343 652 H C -1.124 174.154 175.328 -0.082 0.000 1.270 652 H CA -1.224 54.674 56.048 -0.249 0.000 1.118 652 H CB 0.791 30.210 29.762 -0.572 0.000 1.861 652 H HN -0.108 nan 8.280 nan 0.000 0.544 653 W N 1.727 122.891 121.300 -0.226 0.000 6.544 653 W HA -0.195 4.465 4.660 -0.000 0.000 0.423 653 W C -0.877 175.461 176.519 -0.302 0.000 1.688 653 W CA 1.298 58.390 57.345 -0.421 0.000 1.082 653 W CB -2.193 26.739 29.460 -0.880 0.000 2.917 653 W HN 0.900 nan 8.180 nan 0.000 1.481 654 Q N -2.110 117.757 119.800 0.112 0.000 2.472 654 Q HA 0.646 4.986 4.340 -0.000 0.000 0.281 654 Q C -0.361 175.642 176.000 0.005 0.000 0.997 654 Q CA -1.076 54.705 55.803 -0.036 0.000 0.828 654 Q CB 1.134 29.798 28.738 -0.124 0.000 1.443 654 Q HN 0.124 nan 8.270 nan 0.000 0.390 655 L N 0.191 121.338 121.223 -0.126 0.000 2.356 655 L HA 0.340 4.680 4.340 -0.000 0.000 0.193 655 L C 0.594 177.567 176.870 0.173 0.000 1.087 655 L CA 0.271 55.066 54.840 -0.076 0.000 0.817 655 L CB 0.173 42.117 42.059 -0.193 0.000 1.035 655 L HN 0.659 nan 8.230 nan 0.000 0.482 656 F N 0.452 120.539 119.950 0.229 0.000 2.425 656 F HA 0.537 5.064 4.527 -0.000 0.000 0.331 656 F C -0.022 175.826 175.800 0.080 0.000 1.085 656 F CA -1.803 56.337 58.000 0.232 0.000 1.028 656 F CB 0.129 39.382 39.000 0.422 0.000 1.177 656 F HN -0.009 nan 8.300 nan 0.000 0.487 657 D N 1.592 122.124 120.400 0.220 0.000 2.451 657 D HA 0.395 5.035 4.640 -0.000 0.000 0.259 657 D C 1.076 177.406 176.300 0.050 0.000 1.201 657 D CA -0.399 53.618 54.000 0.029 0.000 1.028 657 D CB 0.673 41.464 40.800 -0.015 0.000 1.095 657 D HN 0.733 nan 8.370 nan 0.000 0.539 658 A N -0.889 121.806 122.820 -0.209 0.000 2.076 658 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 658 A C 1.284 178.769 177.584 -0.166 0.000 1.160 658 A CA 1.088 52.957 52.037 -0.280 0.000 0.653 658 A CB -1.011 17.568 19.000 -0.702 0.000 0.801 658 A HN 0.580 nan 8.150 nan 0.000 0.455 659 Y N -1.409 118.958 120.300 0.112 0.000 2.468 659 Y HA 0.268 4.818 4.550 -0.000 0.000 0.268 659 Y C 1.036 176.980 175.900 0.074 0.000 1.177 659 Y CA -0.115 58.045 58.100 0.100 0.000 1.265 659 Y CB -0.161 38.342 38.460 0.072 0.000 1.103 659 Y HN 0.237 nan 8.280 nan 0.000 0.522 660 M N -1.001 118.727 119.600 0.212 0.000 2.899 660 M HA -0.255 4.225 4.480 -0.000 0.000 0.195 660 M C -0.634 175.806 176.300 0.233 0.000 0.603 660 M CA 0.665 56.062 55.300 0.161 0.000 0.712 660 M CB -1.733 30.805 32.600 -0.103 0.000 2.569 660 M HN 0.245 nan 8.290 nan 0.000 0.406 661 D N 1.733 122.241 120.400 0.181 0.000 2.358 661 D HA 0.470 5.110 4.640 -0.000 0.000 0.244 661 D C 0.064 176.324 176.300 -0.067 0.000 1.163 661 D CA 0.423 54.460 54.000 0.062 0.000 0.945 661 D CB 0.692 41.539 40.800 0.078 0.000 1.152 661 D HN 0.352 nan 8.370 nan 0.000 0.451 662 Q N 1.513 121.156 119.800 -0.263 0.000 2.309 662 Q HA 0.319 4.658 4.340 -0.000 0.000 0.270 662 Q C -0.306 175.375 176.000 -0.532 0.000 1.023 662 Q CA -0.956 54.489 55.803 -0.597 0.000 0.758 662 Q CB 1.662 29.756 28.738 -1.074 0.000 1.247 662 Q HN 0.442 nan 8.270 nan 0.000 0.455 663 N N 0.516 119.004 118.700 -0.354 0.000 3.061 663 N HA 0.319 5.059 4.740 -0.000 0.000 0.346 663 N C 0.960 176.383 175.510 -0.144 0.000 1.392 663 N CA -0.197 52.731 53.050 -0.203 0.000 0.762 663 N CB -0.304 38.165 38.487 -0.030 0.000 1.367 663 N HN 0.437 nan 8.380 nan 0.000 0.607 664 G N -0.486 108.409 108.800 0.158 0.000 2.440 664 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 664 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 664 G C 1.394 176.471 174.900 0.295 0.000 1.154 664 G CA 1.793 47.144 45.100 0.417 0.000 0.767 664 G HN 0.805 nan 8.290 nan 0.000 0.552 665 A N -0.007 122.897 122.820 0.141 0.000 1.877 665 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 665 A C 2.182 179.715 177.584 -0.086 0.000 1.186 665 A CA 1.734 53.787 52.037 0.027 0.000 0.620 665 A CB -0.767 18.244 19.000 0.018 0.000 0.822 665 A HN 0.469 nan 8.150 nan 0.000 0.443 666 Y N -0.765 119.427 120.300 -0.180 0.000 2.053 666 Y HA -0.322 4.228 4.550 -0.000 0.000 0.277 666 Y C 2.307 178.104 175.900 -0.173 0.000 1.159 666 Y CA 2.450 60.413 58.100 -0.228 0.000 1.125 666 Y CB -0.424 37.844 38.460 -0.319 0.000 0.969 666 Y HN 0.400 nan 8.280 nan 0.000 0.492 667 Y N -0.437 119.964 120.300 0.167 0.000 2.242 667 Y HA -0.040 4.510 4.550 -0.000 0.000 0.291 667 Y C 2.630 178.331 175.900 -0.332 0.000 1.137 667 Y CA 0.773 58.913 58.100 0.067 0.000 1.181 667 Y CB -1.349 37.286 38.460 0.292 0.000 0.989 667 Y HN 0.195 nan 8.280 nan 0.000 0.527 668 G N -0.317 108.207 108.800 -0.460 0.000 2.418 668 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.217 668 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.217 668 G C 1.970 176.553 174.900 -0.528 0.000 1.158 668 G CA 1.135 45.663 45.100 -0.953 0.000 0.771 668 G HN 0.465 nan 8.290 nan 0.000 0.545 669 A N 0.769 123.313 122.820 -0.459 0.000 1.877 669 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 669 A C 2.215 179.422 177.584 -0.629 0.000 1.186 669 A CA 2.194 53.853 52.037 -0.630 0.000 0.620 669 A CB -0.467 18.082 19.000 -0.751 0.000 0.822 669 A HN 0.411 nan 8.150 nan 0.000 0.443 670 K N -0.337 119.764 120.400 -0.499 0.000 2.063 670 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 670 K C 2.145 178.573 176.600 -0.288 0.000 1.048 670 K CA 1.916 57.985 56.287 -0.363 0.000 0.928 670 K CB -0.132 32.256 32.500 -0.187 0.000 0.713 670 K HN 0.258 nan 8.250 nan 0.000 0.442 671 K N 0.799 121.048 120.400 -0.252 0.000 2.032 671 K HA -0.078 4.241 4.320 -0.000 0.000 0.209 671 K C 1.762 178.130 176.600 -0.387 0.000 1.048 671 K CA 1.820 58.005 56.287 -0.171 0.000 0.927 671 K CB -0.645 31.809 32.500 -0.077 0.000 0.712 671 K HN 0.244 nan 8.250 nan 0.000 0.441 672 A N 0.564 123.135 122.820 -0.414 0.000 2.019 672 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 672 A C 1.354 178.558 177.584 -0.633 0.000 1.164 672 A CA 1.607 53.363 52.037 -0.468 0.000 0.644 672 A CB -0.373 18.523 19.000 -0.174 0.000 0.805 672 A HN 0.456 nan 8.150 nan 0.000 0.449 673 N N 0.568 118.943 118.700 -0.541 0.000 2.279 673 N HA 0.074 4.814 4.740 -0.000 0.000 0.226 673 N C -0.661 174.665 175.510 -0.306 0.000 1.126 673 N CA -0.021 52.783 53.050 -0.411 0.000 0.846 673 N CB 0.365 38.571 38.487 -0.469 0.000 1.050 673 N HN 0.620 nan 8.380 nan 0.000 0.502 674 E N 1.439 121.434 120.200 -0.342 0.000 2.415 674 E HA -0.013 4.337 4.350 -0.000 0.000 0.262 674 E C -1.250 175.321 176.600 -0.048 0.000 1.038 674 E CA -1.324 54.996 56.400 -0.134 0.000 0.921 674 E CB 0.802 30.500 29.700 -0.003 0.000 0.950 674 E HN 0.119 nan 8.360 nan 0.000 0.438 675 P HA -0.104 nan 4.420 nan 0.000 0.218 675 P C -0.045 177.279 177.300 0.040 0.000 1.149 675 P CA 0.962 64.061 63.100 -0.002 0.000 0.817 675 P CB 0.382 32.075 31.700 -0.011 0.000 0.785 676 L N -0.273 120.992 121.223 0.070 0.000 2.415 676 L HA 0.483 4.823 4.340 -0.000 0.000 0.268 676 L C -1.259 175.701 176.870 0.149 0.000 0.984 676 L CA -1.057 53.837 54.840 0.089 0.000 0.853 676 L CB 0.868 42.961 42.059 0.055 0.000 1.215 676 L HN -0.081 nan 8.230 nan 0.000 0.419 677 H N 3.720 122.814 119.070 0.041 0.000 2.717 677 H HA 0.672 5.228 4.556 -0.000 0.000 0.366 677 H C -1.514 173.861 175.328 0.079 0.000 1.132 677 H CA -0.516 55.566 56.048 0.056 0.000 1.180 677 H CB 1.934 31.726 29.762 0.050 0.000 1.678 677 H HN 0.588 nan 8.280 nan 0.000 0.537 678 I N 4.488 124.743 120.570 -0.524 0.000 2.474 678 I HA 0.363 4.533 4.170 -0.000 0.000 0.294 678 I C -1.334 174.510 176.117 -0.454 0.000 1.005 678 I CA -0.439 60.663 61.300 -0.330 0.000 1.113 678 I CB 1.201 39.138 38.000 -0.105 0.000 1.289 678 I HN 0.816 nan 8.210 nan 0.000 0.436 679 Q N 5.773 125.505 119.800 -0.114 0.000 2.462 679 Q HA 0.341 4.681 4.340 -0.000 0.000 0.285 679 Q C -2.003 174.040 176.000 0.072 0.000 1.035 679 Q CA -0.915 54.959 55.803 0.119 0.000 0.799 679 Q CB 2.395 31.284 28.738 0.252 0.000 1.452 679 Q HN 0.636 nan 8.270 nan 0.000 0.404 680 Y N 0.712 120.858 120.300 -0.258 0.000 2.331 680 Y HA 0.438 4.988 4.550 -0.000 0.000 0.338 680 Y C -0.959 174.624 175.900 -0.529 0.000 0.992 680 Y CA -0.498 57.226 58.100 -0.627 0.000 1.121 680 Y CB 2.093 39.700 38.460 -1.422 0.000 1.184 680 Y HN 0.723 nan 8.280 nan 0.000 0.469 681 S N 5.804 120.959 115.700 -0.910 0.000 2.422 681 S HA 0.060 4.530 4.470 -0.000 0.000 0.283 681 S C 0.646 174.542 174.600 -1.173 0.000 1.163 681 S CA -0.259 57.418 58.200 -0.873 0.000 1.054 681 S CB -0.098 62.745 63.200 -0.595 0.000 0.967 681 S HN 0.890 nan 8.310 nan 0.000 0.499 682 H N 2.186 120.695 119.070 -0.935 0.000 2.457 682 H HA -0.140 4.415 4.556 -0.000 0.000 0.297 682 H C 1.961 177.025 175.328 -0.439 0.000 1.092 682 H CA 1.938 57.697 56.048 -0.482 0.000 1.309 682 H CB 0.202 29.886 29.762 -0.130 0.000 1.382 682 H HN 0.661 nan 8.280 nan 0.000 0.535 683 D N 0.354 120.442 120.400 -0.520 0.000 2.091 683 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 683 D C 1.281 177.451 176.300 -0.217 0.000 0.980 683 D CA 1.488 55.342 54.000 -0.242 0.000 0.831 683 D CB -0.474 40.253 40.800 -0.122 0.000 0.987 683 D HN 0.521 nan 8.370 nan 0.000 0.460 684 N N -0.890 117.628 118.700 -0.304 0.000 2.177 684 N HA 0.101 4.841 4.740 -0.000 0.000 0.218 684 N C -0.038 175.297 175.510 -0.291 0.000 1.182 684 N CA -0.300 52.614 53.050 -0.226 0.000 0.882 684 N CB 0.139 38.531 38.487 -0.158 0.000 1.052 684 N HN 0.152 nan 8.380 nan 0.000 0.519 685 R N -0.690 119.507 120.500 -0.506 0.000 4.000 685 R HA -0.164 4.175 4.340 -0.000 0.000 0.362 685 R C -0.637 175.360 176.300 -0.504 0.000 1.183 685 R CA 0.978 56.690 56.100 -0.647 0.000 1.011 685 R CB -2.924 27.257 30.300 -0.200 0.000 1.501 685 R HN 0.566 nan 8.270 nan 0.000 0.553 686 S N -0.119 115.330 115.700 -0.419 0.000 2.562 686 S HA 0.401 4.871 4.470 -0.000 0.000 0.281 686 S C 0.569 175.018 174.600 -0.252 0.000 1.333 686 S CA -0.793 57.258 58.200 -0.248 0.000 1.052 686 S CB 2.048 65.151 63.200 -0.162 0.000 0.884 686 S HN 0.114 nan 8.310 nan 0.000 0.506 687 V N 3.970 123.819 119.914 -0.107 0.000 2.364 687 V HA 0.397 4.517 4.120 -0.000 0.000 0.272 687 V C -0.140 175.941 176.094 -0.022 0.000 1.036 687 V CA -0.531 61.745 62.300 -0.039 0.000 0.880 687 V CB 0.962 32.805 31.823 0.034 0.000 0.991 687 V HN 0.833 nan 8.190 nan 0.000 0.460 688 V N 5.858 125.765 119.914 -0.011 0.000 2.555 688 V HA 0.514 4.634 4.120 -0.000 0.000 0.302 688 V C -0.202 175.909 176.094 0.029 0.000 1.038 688 V CA -0.667 61.643 62.300 0.017 0.000 0.887 688 V CB 2.310 34.157 31.823 0.041 0.000 0.991 688 V HN 0.570 nan 8.190 nan 0.000 0.434 689 V N 5.391 125.327 119.914 0.037 0.000 2.435 689 V HA 0.522 4.642 4.120 -0.000 0.000 0.290 689 V C -0.299 175.843 176.094 0.079 0.000 1.030 689 V CA -0.508 61.818 62.300 0.043 0.000 0.881 689 V CB 1.659 33.502 31.823 0.033 0.000 0.983 689 V HN 0.559 nan 8.190 nan 0.000 0.445 690 I N 3.903 124.541 120.570 0.114 0.000 2.433 690 I HA 0.424 4.594 4.170 -0.000 0.000 0.292 690 I C -0.333 175.854 176.117 0.116 0.000 1.001 690 I CA -0.532 60.848 61.300 0.133 0.000 1.119 690 I CB 1.844 39.951 38.000 0.178 0.000 1.289 690 I HN 0.605 nan 8.210 nan 0.000 0.438 691 N N 5.534 124.290 118.700 0.093 0.000 2.558 691 N HA 0.214 4.954 4.740 -0.000 0.000 0.242 691 N C 0.440 175.988 175.510 0.062 0.000 0.979 691 N CA -0.273 52.819 53.050 0.069 0.000 0.931 691 N CB 1.229 39.749 38.487 0.055 0.000 1.122 691 N HN 0.350 nan 8.380 nan 0.000 0.508 692 Q N 0.500 120.326 119.800 0.043 0.000 2.398 692 Q HA 0.028 4.368 4.340 -0.000 0.000 0.204 692 Q C 0.573 176.577 176.000 0.008 0.000 0.932 692 Q CA 0.341 56.156 55.803 0.020 0.000 0.916 692 Q CB -0.242 28.491 28.738 -0.009 0.000 1.024 692 Q HN 0.780 nan 8.270 nan 0.000 0.504 693 T N -1.033 113.523 114.554 0.004 0.000 2.748 693 T HA 0.094 4.444 4.350 -0.000 0.000 0.304 693 T C 1.284 175.970 174.700 -0.022 0.000 1.041 693 T CA 0.173 62.262 62.100 -0.018 0.000 1.033 693 T CB 0.878 69.734 68.868 -0.021 0.000 0.995 693 T HN 0.146 nan 8.240 nan 0.000 0.536 694 S N 0.403 116.069 115.700 -0.057 0.000 2.603 694 S HA 0.129 4.599 4.470 -0.000 0.000 0.220 694 S C 0.390 174.952 174.600 -0.062 0.000 0.967 694 S CA -0.578 57.576 58.200 -0.075 0.000 0.920 694 S CB -0.511 62.593 63.200 -0.161 0.000 0.773 694 S HN 0.695 nan 8.310 nan 0.000 0.529 695 N N 1.459 120.133 118.700 -0.043 0.000 2.284 695 N HA 0.573 5.312 4.740 -0.000 0.000 0.300 695 N C -0.684 174.820 175.510 -0.010 0.000 1.047 695 N CA -0.333 52.698 53.050 -0.032 0.000 0.821 695 N CB 1.903 40.366 38.487 -0.041 0.000 1.337 695 N HN 0.269 nan 8.380 nan 0.000 0.482 696 A N 1.219 124.038 122.820 -0.002 0.000 2.520 696 A HA 0.341 4.661 4.320 -0.000 0.000 0.235 696 A C 0.100 177.686 177.584 0.004 0.000 1.065 696 A CA 0.109 52.151 52.037 0.007 0.000 0.764 696 A CB 0.220 19.225 19.000 0.009 0.000 1.002 696 A HN 0.400 nan 8.150 nan 0.000 0.502 697 V N 1.756 121.676 119.914 0.010 0.000 2.823 697 V HA 0.737 4.857 4.120 -0.000 0.000 0.312 697 V C 0.279 176.379 176.094 0.010 0.000 1.072 697 V CA 0.221 62.526 62.300 0.009 0.000 0.937 697 V CB 1.988 33.818 31.823 0.012 0.000 1.013 697 V HN 1.384 nan 8.190 nan 0.000 0.430 698 S N 1.133 116.837 115.700 0.007 0.000 2.720 698 S HA 0.792 5.262 4.470 -0.000 0.000 0.287 698 S C 0.483 175.087 174.600 0.006 0.000 1.168 698 S CA -0.001 58.203 58.200 0.007 0.000 0.832 698 S CB 1.623 64.826 63.200 0.005 0.000 1.166 698 S HN 2.425 nan 8.310 nan 0.000 0.493 699 G N 0.130 108.933 108.800 0.005 0.000 2.221 699 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.265 699 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.265 699 G C -0.257 174.646 174.900 0.006 0.000 1.041 699 G CA 0.459 45.561 45.100 0.004 0.000 0.807 699 G HN 0.843 nan 8.290 nan 0.000 0.502 700 L N 0.553 121.781 121.223 0.008 0.000 2.350 700 L HA 0.640 4.980 4.340 -0.000 0.000 0.275 700 L C 0.985 177.859 176.870 0.008 0.000 1.099 700 L CA 0.006 54.852 54.840 0.010 0.000 0.808 700 L CB 1.695 43.763 42.059 0.014 0.000 1.149 700 L HN 0.300 nan 8.230 nan 0.000 0.442 701 T N 1.387 115.945 114.554 0.007 0.000 2.797 701 T HA 0.713 5.063 4.350 -0.000 0.000 0.279 701 T C -0.495 174.209 174.700 0.006 0.000 0.991 701 T CA -0.630 61.473 62.100 0.005 0.000 0.979 701 T CB 1.440 70.307 68.868 -0.001 0.000 0.943 701 T HN 0.671 nan 8.240 nan 0.000 0.444 702 A N 4.025 126.849 122.820 0.006 0.000 2.258 702 A HA 0.651 4.971 4.320 -0.000 0.000 0.316 702 A C 0.293 177.880 177.584 0.005 0.000 1.279 702 A CA -0.671 51.372 52.037 0.010 0.000 0.876 702 A CB 0.559 19.569 19.000 0.015 0.000 1.170 702 A HN 0.863 nan 8.150 nan 0.000 0.520 703 T N 2.150 116.705 114.554 0.002 0.000 2.771 703 T HA 0.571 4.921 4.350 -0.000 0.000 0.281 703 T C 0.064 174.766 174.700 0.002 0.000 0.982 703 T CA -0.142 61.951 62.100 -0.013 0.000 0.978 703 T CB 1.160 70.012 68.868 -0.026 0.000 0.930 703 T HN 0.811 nan 8.240 nan 0.000 0.447 704 T N 3.112 117.673 114.554 0.012 0.000 2.812 704 T HA 0.606 4.956 4.350 -0.000 0.000 0.282 704 T C -1.029 173.692 174.700 0.036 0.000 0.990 704 T CA -0.833 61.301 62.100 0.058 0.000 0.960 704 T CB 0.658 69.605 68.868 0.131 0.000 0.948 704 T HN 0.445 nan 8.240 nan 0.000 0.438 705 K N 3.854 124.254 120.400 0.000 0.000 2.371 705 K HA 0.595 4.915 4.320 -0.000 0.000 0.251 705 K C -0.977 175.582 176.600 -0.068 0.000 0.934 705 K CA -0.925 55.291 56.287 -0.119 0.000 0.798 705 K CB 2.383 34.696 32.500 -0.312 0.000 1.204 705 K HN 0.546 nan 8.250 nan 0.000 0.427 706 L N 3.030 124.189 121.223 -0.107 0.000 2.329 706 L HA 0.513 4.853 4.340 -0.000 0.000 0.279 706 L C -1.135 175.603 176.870 -0.221 0.000 1.014 706 L CA -0.965 53.865 54.840 -0.017 0.000 0.814 706 L CB 0.769 42.844 42.059 0.027 0.000 1.257 706 L HN 0.542 nan 8.230 nan 0.000 0.424 707 Y N 0.921 121.332 120.300 0.185 0.000 2.425 707 Y HA 0.342 4.892 4.550 -0.000 0.000 0.344 707 Y C 0.307 176.326 175.900 0.198 0.000 0.969 707 Y CA -1.052 57.166 58.100 0.197 0.000 1.052 707 Y CB 1.539 40.194 38.460 0.325 0.000 1.215 707 Y HN 0.504 nan 8.280 nan 0.000 0.451 708 N N 1.681 120.548 118.700 0.279 0.000 2.371 708 N HA 0.117 4.857 4.740 -0.000 0.000 0.243 708 N C 1.030 176.663 175.510 0.204 0.000 1.287 708 N CA -0.027 53.149 53.050 0.211 0.000 0.911 708 N CB 0.707 39.270 38.487 0.127 0.000 1.142 708 N HN 0.728 nan 8.380 nan 0.000 0.451 709 L N 0.273 121.574 121.223 0.131 0.000 2.265 709 L HA -0.164 4.176 4.340 -0.000 0.000 0.215 709 L C 1.204 178.105 176.870 0.051 0.000 1.117 709 L CA 1.032 55.909 54.840 0.062 0.000 0.782 709 L CB -0.439 41.635 42.059 0.025 0.000 0.914 709 L HN 0.590 nan 8.230 nan 0.000 0.441 710 D N -0.649 119.796 120.400 0.075 0.000 2.363 710 D HA -0.019 4.621 4.640 -0.000 0.000 0.226 710 D C 1.468 177.819 176.300 0.086 0.000 1.020 710 D CA 0.898 54.936 54.000 0.064 0.000 0.892 710 D CB 0.123 40.958 40.800 0.060 0.000 0.900 710 D HN 0.252 nan 8.370 nan 0.000 0.531 711 G N -0.703 108.182 108.800 0.140 0.000 2.176 711 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.232 711 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.232 711 G C 0.348 175.453 174.900 0.342 0.000 0.986 711 G CA 0.148 45.372 45.100 0.206 0.000 0.643 711 G HN 0.434 nan 8.290 nan 0.000 0.522 712 T N 1.409 116.115 114.554 0.255 0.000 2.867 712 T HA 0.364 4.714 4.350 -0.000 0.000 0.297 712 T C 0.395 175.233 174.700 0.229 0.000 0.989 712 T CA 0.516 62.741 62.100 0.208 0.000 1.159 712 T CB 1.465 70.401 68.868 0.113 0.000 0.928 712 T HN 0.450 nan 8.240 nan 0.000 0.538 713 E N 2.285 122.562 120.200 0.129 0.000 2.316 713 E HA 0.088 4.438 4.350 -0.000 0.000 0.275 713 E C 0.457 176.977 176.600 -0.134 0.000 1.029 713 E CA -0.514 55.777 56.400 -0.182 0.000 0.871 713 E CB 0.390 29.952 29.700 -0.231 0.000 1.022 713 E HN 0.384 nan 8.360 nan 0.000 0.418 714 K N 3.308 123.605 120.400 -0.172 0.000 2.412 714 K HA 0.082 4.402 4.320 -0.000 0.000 0.202 714 K C -0.755 175.833 176.600 -0.019 0.000 1.102 714 K CA -0.029 56.212 56.287 -0.077 0.000 1.027 714 K CB 0.821 33.279 32.500 -0.069 0.000 0.931 714 K HN 0.541 nan 8.250 nan 0.000 0.557 715 Y N -0.416 119.756 120.300 -0.214 0.000 2.521 715 Y HA 0.400 4.950 4.550 -0.000 0.000 0.328 715 Y C -1.714 174.067 175.900 -0.198 0.000 1.151 715 Y CA -0.776 57.222 58.100 -0.170 0.000 1.054 715 Y CB 1.882 40.259 38.460 -0.138 0.000 1.338 715 Y HN -0.160 nan 8.280 nan 0.000 0.453 716 S N 4.235 119.379 115.700 -0.926 0.000 2.546 716 S HA 0.644 5.114 4.470 -0.000 0.000 0.272 716 S C -2.100 172.001 174.600 -0.831 0.000 1.140 716 S CA -0.596 57.205 58.200 -0.666 0.000 0.920 716 S CB 1.255 64.227 63.200 -0.380 0.000 1.083 716 S HN 0.795 nan 8.310 nan 0.000 0.476 717 N N 1.143 119.571 118.700 -0.454 0.000 2.371 717 N HA 0.536 5.276 4.740 -0.000 0.000 0.280 717 N C -1.854 173.588 175.510 -0.114 0.000 1.084 717 N CA -0.253 52.645 53.050 -0.252 0.000 0.892 717 N CB 2.131 40.566 38.487 -0.086 0.000 1.653 717 N HN 0.414 nan 8.380 nan 0.000 0.480 718 T N 2.112 116.614 114.554 -0.087 0.000 2.809 718 T HA 0.404 4.754 4.350 -0.000 0.000 0.284 718 T C -1.018 173.664 174.700 -0.029 0.000 0.992 718 T CA -0.396 61.674 62.100 -0.050 0.000 0.957 718 T CB 0.959 69.795 68.868 -0.053 0.000 0.942 718 T HN 0.370 nan 8.240 nan 0.000 0.439 719 K N 3.120 123.512 120.400 -0.013 0.000 2.483 719 K HA 0.547 4.867 4.320 -0.000 0.000 0.256 719 K C 0.038 176.636 176.600 -0.003 0.000 0.961 719 K CA -0.526 55.758 56.287 -0.005 0.000 0.873 719 K CB 0.676 33.180 32.500 0.006 0.000 1.107 719 K HN 0.707 nan 8.250 nan 0.000 0.432 720 T N 0.083 114.634 114.554 -0.005 0.000 2.936 720 T HA 0.610 4.960 4.350 -0.000 0.000 0.282 720 T C 0.798 175.497 174.700 -0.001 0.000 1.003 720 T CA -0.139 61.959 62.100 -0.003 0.000 1.005 720 T CB 1.401 70.265 68.868 -0.006 0.000 1.097 720 T HN 0.999 nan 8.240 nan 0.000 0.532 721 G N 0.404 109.204 108.800 0.001 0.000 2.198 721 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.260 721 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.260 721 G C -0.071 174.832 174.900 0.004 0.000 1.025 721 G CA 0.157 45.258 45.100 0.002 0.000 0.769 721 G HN 0.882 nan 8.290 nan 0.000 0.507 722 L N 1.594 122.821 121.223 0.006 0.000 2.360 722 L HA 0.489 4.829 4.340 -0.000 0.000 0.276 722 L C 1.014 177.891 176.870 0.011 0.000 1.121 722 L CA 0.165 55.011 54.840 0.009 0.000 0.845 722 L CB 1.159 43.225 42.059 0.012 0.000 1.143 722 L HN 0.433 nan 8.230 nan 0.000 0.452 723 S N 3.069 118.776 115.700 0.012 0.000 2.537 723 S HA 0.756 5.226 4.470 -0.000 0.000 0.301 723 S C -0.652 173.959 174.600 0.019 0.000 1.092 723 S CA -0.835 57.373 58.200 0.014 0.000 1.048 723 S CB 2.427 65.633 63.200 0.011 0.000 1.053 723 S HN 0.370 nan 8.310 nan 0.000 0.501 724 V N 1.612 121.540 119.914 0.022 0.000 2.733 724 V HA 0.776 4.895 4.120 -0.000 0.000 0.306 724 V C 0.398 176.511 176.094 0.032 0.000 1.084 724 V CA -0.046 62.273 62.300 0.031 0.000 0.905 724 V CB 1.505 33.351 31.823 0.039 0.000 1.010 724 V HN 1.295 nan 8.190 nan 0.000 0.424 725 G N 3.937 112.759 108.800 0.036 0.000 2.616 725 G HA2 0.629 4.589 3.960 -0.000 0.000 0.268 725 G HA3 0.629 4.589 3.960 -0.000 0.000 0.268 725 G C 0.253 175.181 174.900 0.047 0.000 1.213 725 G CA -0.040 45.082 45.100 0.037 0.000 0.926 725 G HN 1.559 nan 8.290 nan 0.000 0.523 726 A N -0.942 121.905 122.820 0.045 0.000 2.346 726 A HA 0.544 4.864 4.320 -0.000 0.000 0.252 726 A C 0.988 178.622 177.584 0.083 0.000 1.089 726 A CA -0.248 51.817 52.037 0.048 0.000 0.797 726 A CB -0.089 18.929 19.000 0.029 0.000 1.047 726 A HN 1.492 nan 8.150 nan 0.000 0.494 727 L N -0.417 120.851 121.223 0.075 0.000 3.597 727 L HA -0.292 4.048 4.340 -0.000 0.000 0.440 727 L C 1.138 178.111 176.870 0.171 0.000 1.277 727 L CA 0.680 55.581 54.840 0.103 0.000 0.852 727 L CB -2.118 40.014 42.059 0.120 0.000 1.708 727 L HN 1.964 nan 8.230 nan 0.000 0.885 728 G N -2.172 106.718 108.800 0.149 0.000 2.179 728 G HA2 -0.012 3.947 3.960 -0.000 0.000 0.220 728 G HA3 -0.012 3.947 3.960 -0.000 0.000 0.220 728 G C 0.455 175.517 174.900 0.269 0.000 0.990 728 G CA -0.012 45.209 45.100 0.201 0.000 0.646 728 G HN 1.292 nan 8.290 nan 0.000 0.517 729 A N 0.177 123.111 122.820 0.190 0.000 2.409 729 A HA 0.643 4.963 4.320 -0.000 0.000 0.246 729 A C 0.666 178.316 177.584 0.109 0.000 1.099 729 A CA 1.271 53.385 52.037 0.128 0.000 0.789 729 A CB 0.313 19.362 19.000 0.080 0.000 1.053 729 A HN 1.451 nan 8.150 nan 0.000 0.503 730 K N -0.969 119.480 120.400 0.082 0.000 2.466 730 K HA 0.827 5.147 4.320 -0.000 0.000 0.260 730 K C -1.076 175.554 176.600 0.049 0.000 1.011 730 K CA -0.445 55.887 56.287 0.075 0.000 0.871 730 K CB 2.142 34.694 32.500 0.087 0.000 1.404 730 K HN 1.316 nan 8.250 nan 0.000 0.450 731 A N 0.763 123.609 122.820 0.043 0.000 2.547 731 A HA 0.495 4.814 4.320 -0.000 0.000 0.297 731 A C -1.188 176.409 177.584 0.023 0.000 1.056 731 A CA -0.775 51.279 52.037 0.028 0.000 0.688 731 A CB 1.865 20.880 19.000 0.024 0.000 1.282 731 A HN 0.593 nan 8.150 nan 0.000 0.400 732 T N 2.180 116.742 114.554 0.013 0.000 2.780 732 T HA 0.460 4.810 4.350 -0.000 0.000 0.294 732 T C 1.466 176.170 174.700 0.006 0.000 0.949 732 T CA 0.419 62.521 62.100 0.004 0.000 1.074 732 T CB 1.431 70.294 68.868 -0.007 0.000 0.910 732 T HN 1.053 nan 8.240 nan 0.000 0.501 733 A N 3.876 126.701 122.820 0.009 0.000 1.874 733 A HA 0.443 4.763 4.320 -0.000 0.000 0.214 733 A C 0.890 178.485 177.584 0.019 0.000 1.189 733 A CA 0.650 52.696 52.037 0.015 0.000 0.615 733 A CB 0.182 19.195 19.000 0.021 0.000 0.830 733 A HN 0.631 nan 8.150 nan 0.000 0.443 734 V N -2.069 117.857 119.914 0.019 0.000 3.236 734 V HA 0.429 4.548 4.120 -0.000 0.000 0.287 734 V C -1.579 174.515 176.094 0.001 0.000 1.491 734 V CA -0.477 61.841 62.300 0.031 0.000 1.037 734 V CB 2.078 33.952 31.823 0.085 0.000 1.160 734 V HN 0.185 nan 8.190 nan 0.000 0.453 735 T N 3.684 118.230 114.554 -0.013 0.000 2.770 735 T HA 0.452 4.802 4.350 -0.000 0.000 0.297 735 T C -0.368 174.285 174.700 -0.077 0.000 0.997 735 T CA -0.232 61.831 62.100 -0.061 0.000 0.949 735 T CB 1.116 69.942 68.868 -0.070 0.000 0.941 735 T HN 0.639 nan 8.240 nan 0.000 0.457 736 V N 8.014 127.852 119.914 -0.127 0.000 2.509 736 V HA 0.099 4.219 4.120 -0.000 0.000 0.297 736 V C -1.342 174.591 176.094 -0.268 0.000 1.014 736 V CA -1.076 61.033 62.300 -0.319 0.000 1.127 736 V CB -0.447 31.218 31.823 -0.262 0.000 0.925 736 V HN 0.703 nan 8.190 nan 0.000 0.480 737 P HA 0.253 nan 4.420 nan 0.000 0.275 737 P C -0.414 176.784 177.300 -0.171 0.000 1.266 737 P CA -0.516 62.486 63.100 -0.163 0.000 0.793 737 P CB 0.720 32.369 31.700 -0.085 0.000 1.074 738 A N 0.757 123.516 122.820 -0.103 0.000 2.545 738 A HA 0.255 4.575 4.320 -0.000 0.000 0.253 738 A C 0.091 177.614 177.584 -0.103 0.000 1.074 738 A CA 0.159 52.142 52.037 -0.090 0.000 0.760 738 A CB -0.832 18.134 19.000 -0.056 0.000 1.005 738 A HN 0.326 nan 8.150 nan 0.000 0.506 739 V N 3.688 123.520 119.914 -0.136 0.000 2.448 739 V HA 0.283 4.402 4.120 -0.000 0.000 0.295 739 V C 0.621 176.644 176.094 -0.118 0.000 1.025 739 V CA -0.450 61.775 62.300 -0.125 0.000 0.859 739 V CB 1.776 33.493 31.823 -0.177 0.000 0.988 739 V HN 0.959 nan 8.190 nan 0.000 0.431 740 S N 2.895 118.551 115.700 -0.073 0.000 2.576 740 S HA 0.470 4.940 4.470 -0.000 0.000 0.276 740 S C 1.141 175.698 174.600 -0.071 0.000 1.339 740 S CA 0.692 58.855 58.200 -0.063 0.000 1.039 740 S CB 1.013 64.191 63.200 -0.037 0.000 0.902 740 S HN 1.637 nan 8.310 nan 0.000 0.516 741 G N 1.591 110.355 108.800 -0.061 0.000 2.147 741 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.244 741 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.244 741 G C -0.060 174.800 174.900 -0.066 0.000 1.005 741 G CA -0.155 44.916 45.100 -0.048 0.000 0.713 741 G HN 0.567 nan 8.290 nan 0.000 0.515 742 L N 1.732 122.881 121.223 -0.123 0.000 2.380 742 L HA 0.426 4.766 4.340 -0.000 0.000 0.273 742 L C 1.568 178.408 176.870 -0.050 0.000 1.138 742 L CA 0.030 54.762 54.840 -0.180 0.000 0.832 742 L CB 1.007 42.782 42.059 -0.473 0.000 1.124 742 L HN 0.467 nan 8.230 nan 0.000 0.454 743 S N 0.809 116.525 115.700 0.026 0.000 2.584 743 S HA 0.035 4.505 4.470 -0.000 0.000 0.270 743 S C 1.077 175.764 174.600 0.145 0.000 1.346 743 S CA -0.506 57.744 58.200 0.083 0.000 1.018 743 S CB 1.121 64.380 63.200 0.099 0.000 0.899 743 S HN 0.664 nan 8.310 nan 0.000 0.542 744 T N 1.543 116.165 114.554 0.112 0.000 2.788 744 T HA -0.009 4.341 4.350 -0.000 0.000 0.268 744 T C 0.645 175.436 174.700 0.151 0.000 1.044 744 T CA 1.505 63.677 62.100 0.120 0.000 1.139 744 T CB -0.392 68.520 68.868 0.074 0.000 0.867 744 T HN 0.782 nan 8.240 nan 0.000 0.454 745 T N 2.164 116.789 114.554 0.118 0.000 2.794 745 T HA 0.589 4.939 4.350 -0.000 0.000 0.280 745 T C -0.865 173.928 174.700 0.154 0.000 0.987 745 T CA -0.763 61.380 62.100 0.072 0.000 0.993 745 T CB 0.865 69.734 68.868 0.002 0.000 0.939 745 T HN 0.424 nan 8.240 nan 0.000 0.449 746 Y N 0.711 121.028 120.300 0.029 0.000 2.677 746 Y HA 0.821 5.371 4.550 -0.000 0.000 0.334 746 Y C -1.922 174.021 175.900 0.072 0.000 1.154 746 Y CA -1.828 56.300 58.100 0.046 0.000 1.070 746 Y CB 1.087 39.572 38.460 0.042 0.000 1.294 746 Y HN 0.437 nan 8.280 nan 0.000 0.475 747 L N 2.245 123.638 121.223 0.284 0.000 2.334 747 L HA 0.896 5.236 4.340 -0.000 0.000 0.276 747 L C -0.557 176.508 176.870 0.325 0.000 1.014 747 L CA -1.322 53.672 54.840 0.256 0.000 0.815 747 L CB 2.047 44.324 42.059 0.363 0.000 1.268 747 L HN 0.922 nan 8.230 nan 0.000 0.428 748 A N 3.117 126.051 122.820 0.190 0.000 2.318 748 A HA 0.554 4.874 4.320 -0.000 0.000 0.317 748 A C -0.795 176.919 177.584 0.217 0.000 1.159 748 A CA -0.583 51.520 52.037 0.110 0.000 0.799 748 A CB 1.100 19.949 19.000 -0.251 0.000 1.194 748 A HN 0.641 nan 8.150 nan 0.000 0.479 749 K N 3.430 123.928 120.400 0.163 0.000 2.425 749 K HA 0.311 4.631 4.320 -0.000 0.000 0.259 749 K C -1.163 175.477 176.600 0.067 0.000 0.978 749 K CA -0.243 56.103 56.287 0.098 0.000 0.883 749 K CB 0.547 32.907 32.500 -0.233 0.000 1.110 749 K HN 0.879 nan 8.250 nan 0.000 0.436 750 N N 2.711 121.487 118.700 0.127 0.000 2.400 750 N HA 0.375 5.115 4.740 -0.000 0.000 0.288 750 N C -1.439 174.115 175.510 0.073 0.000 1.024 750 N CA -0.810 52.299 53.050 0.099 0.000 0.894 750 N CB 2.222 40.794 38.487 0.141 0.000 1.173 750 N HN 0.108 nan 8.380 nan 0.000 0.487 751 V N 2.650 122.588 119.914 0.039 0.000 2.686 751 V HA 0.377 4.497 4.120 -0.000 0.000 0.306 751 V C -0.888 175.220 176.094 0.023 0.000 1.065 751 V CA -0.736 61.584 62.300 0.034 0.000 0.894 751 V CB 2.036 33.873 31.823 0.023 0.000 1.004 751 V HN 0.451 nan 8.190 nan 0.000 0.424 752 L N 4.995 126.232 121.223 0.025 0.000 2.313 752 L HA 0.888 5.228 4.340 -0.000 0.000 0.283 752 L C 0.163 177.047 176.870 0.024 0.000 1.013 752 L CA 0.353 55.205 54.840 0.020 0.000 0.816 752 L CB 1.968 44.037 42.059 0.017 0.000 1.236 752 L HN 0.916 nan 8.230 nan 0.000 0.419 753 T N 0.253 114.818 114.554 0.018 0.000 2.876 753 T HA 0.681 5.031 4.350 -0.000 0.000 0.289 753 T C -0.511 174.198 174.700 0.015 0.000 1.014 753 T CA -0.857 61.253 62.100 0.017 0.000 0.986 753 T CB 1.478 70.354 68.868 0.013 0.000 1.021 753 T HN 0.614 nan 8.240 nan 0.000 0.458 754 D N 1.132 121.541 120.400 0.015 0.000 2.451 754 D HA 0.259 4.899 4.640 -0.000 0.000 0.259 754 D C 1.569 177.874 176.300 0.008 0.000 1.201 754 D CA -0.337 53.670 54.000 0.012 0.000 1.028 754 D CB 0.347 41.154 40.800 0.012 0.000 1.095 754 D HN 0.507 nan 8.370 nan 0.000 0.539 755 S N -1.192 114.512 115.700 0.006 0.000 2.474 755 S HA -0.186 4.284 4.470 -0.000 0.000 0.235 755 S C 1.728 176.331 174.600 0.003 0.000 0.997 755 S CA 0.933 59.136 58.200 0.004 0.000 0.949 755 S CB -0.831 62.371 63.200 0.003 0.000 0.766 755 S HN 0.591 nan 8.310 nan 0.000 0.517 756 S N 0.569 116.271 115.700 0.004 0.000 2.528 756 S HA 0.419 4.889 4.470 -0.000 0.000 0.219 756 S C 1.561 176.164 174.600 0.005 0.000 0.985 756 S CA 0.616 58.819 58.200 0.004 0.000 0.914 756 S CB -0.452 62.750 63.200 0.003 0.000 0.776 756 S HN 1.445 nan 8.310 nan 0.000 0.526 757 G N 0.775 109.579 108.800 0.007 0.000 2.163 757 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.213 757 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.213 757 G C -0.109 174.798 174.900 0.012 0.000 0.991 757 G CA 0.083 45.188 45.100 0.008 0.000 0.653 757 G HN 0.716 nan 8.290 nan 0.000 0.518 758 K N 1.138 121.546 120.400 0.013 0.000 2.276 758 K HA 0.424 4.744 4.320 -0.000 0.000 0.283 758 K C 0.410 177.023 176.600 0.021 0.000 1.044 758 K CA -0.469 55.828 56.287 0.017 0.000 0.944 758 K CB 0.486 32.995 32.500 0.015 0.000 1.012 758 K HN 0.285 nan 8.250 nan 0.000 0.472 759 E N 3.657 123.872 120.200 0.026 0.000 2.299 759 E HA 0.003 4.353 4.350 -0.000 0.000 0.272 759 E C 0.517 177.139 176.600 0.036 0.000 1.043 759 E CA -0.344 56.075 56.400 0.032 0.000 0.895 759 E CB 0.699 30.421 29.700 0.037 0.000 1.011 759 E HN 0.541 nan 8.360 nan 0.000 0.432 760 V N 0.953 120.891 119.914 0.039 0.000 3.523 760 V HA 0.279 4.399 4.120 -0.000 0.000 0.255 760 V C 0.476 176.609 176.094 0.064 0.000 1.226 760 V CA 0.170 62.497 62.300 0.045 0.000 1.092 760 V CB 0.887 32.734 31.823 0.039 0.000 0.817 760 V HN 0.369 nan 8.190 nan 0.000 0.458 761 S N 0.491 116.230 115.700 0.066 0.000 2.566 761 S HA 0.643 5.113 4.470 -0.000 0.000 0.273 761 S C -0.932 173.715 174.600 0.078 0.000 1.157 761 S CA -0.736 57.518 58.200 0.090 0.000 0.938 761 S CB 1.843 65.091 63.200 0.080 0.000 1.087 761 S HN 0.692 nan 8.310 nan 0.000 0.474 762 R N 3.212 123.774 120.500 0.103 0.000 2.534 762 R HA 0.623 4.963 4.340 -0.000 0.000 0.301 762 R C -1.674 174.718 176.300 0.153 0.000 0.961 762 R CA -0.556 55.613 56.100 0.115 0.000 0.871 762 R CB 1.111 31.479 30.300 0.114 0.000 1.170 762 R HN 0.570 nan 8.270 nan 0.000 0.446 763 N N 3.244 122.046 118.700 0.171 0.000 2.519 763 N HA 0.270 5.010 4.740 -0.000 0.000 0.291 763 N C -2.002 173.648 175.510 0.233 0.000 1.107 763 N CA -0.336 52.832 53.050 0.197 0.000 0.904 763 N CB 2.264 40.872 38.487 0.200 0.000 1.500 763 N HN 0.298 nan 8.380 nan 0.000 0.510 764 V N 4.350 124.386 119.914 0.204 0.000 2.448 764 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 764 V C -0.930 175.250 176.094 0.144 0.000 1.025 764 V CA -0.526 61.975 62.300 0.335 0.000 0.859 764 V CB 0.973 33.113 31.823 0.529 0.000 0.988 764 V HN 0.498 nan 8.190 nan 0.000 0.431 765 Y N 2.855 123.222 120.300 0.112 0.000 2.377 765 Y HA 0.537 5.087 4.550 -0.000 0.000 0.339 765 Y C -0.151 175.720 175.900 -0.048 0.000 1.011 765 Y CA -0.711 57.291 58.100 -0.164 0.000 1.093 765 Y CB 1.558 39.823 38.460 -0.325 0.000 1.201 765 Y HN 0.783 nan 8.280 nan 0.000 0.455 766 W N 4.271 125.623 121.300 0.087 0.000 2.314 766 W HA 0.781 5.441 4.660 -0.000 0.000 0.310 766 W C -1.975 174.462 176.519 -0.138 0.000 1.075 766 W CA -0.894 56.384 57.345 -0.112 0.000 1.253 766 W CB 0.136 29.497 29.460 -0.165 0.000 1.238 766 W HN 0.197 nan 8.180 nan 0.000 0.440 767 L N 3.320 124.343 121.223 -0.334 0.000 2.301 767 L HA 0.718 5.058 4.340 -0.000 0.000 0.264 767 L C 0.093 176.667 176.870 -0.493 0.000 1.016 767 L CA -1.173 53.362 54.840 -0.509 0.000 0.821 767 L CB 2.115 43.620 42.059 -0.923 0.000 1.346 767 L HN 0.539 nan 8.230 nan 0.000 0.429 768 S N -1.494 114.085 115.700 -0.201 0.000 2.542 768 S HA 0.316 4.785 4.470 -0.000 0.000 0.293 768 S C 0.722 175.447 174.600 0.208 0.000 1.089 768 S CA -0.164 58.047 58.200 0.018 0.000 0.961 768 S CB 1.650 64.860 63.200 0.017 0.000 1.062 768 S HN 0.767 nan 8.310 nan 0.000 0.483 769 T N 0.738 115.461 114.554 0.281 0.000 3.051 769 T HA 0.084 4.434 4.350 -0.000 0.000 0.269 769 T C 0.589 175.360 174.700 0.118 0.000 1.127 769 T CA 0.752 62.976 62.100 0.207 0.000 1.107 769 T CB -0.280 68.666 68.868 0.130 0.000 0.898 769 T HN 0.478 nan 8.240 nan 0.000 0.517 770 K N 1.478 121.937 120.400 0.098 0.000 2.240 770 K HA 0.625 4.945 4.320 -0.000 0.000 0.271 770 K C -0.513 176.124 176.600 0.063 0.000 1.018 770 K CA -0.743 55.586 56.287 0.070 0.000 0.874 770 K CB 1.093 33.632 32.500 0.065 0.000 1.098 770 K HN 0.241 nan 8.250 nan 0.000 0.458 771 A N 4.069 126.919 122.820 0.050 0.000 2.354 771 A HA 0.184 4.504 4.320 -0.000 0.000 0.269 771 A C -0.545 177.043 177.584 0.006 0.000 1.109 771 A CA -0.575 51.484 52.037 0.036 0.000 0.800 771 A CB 0.325 19.342 19.000 0.029 0.000 1.045 771 A HN 0.814 nan 8.150 nan 0.000 0.489 772 D N 1.750 122.144 120.400 -0.011 0.000 2.425 772 D HA 0.327 4.967 4.640 -0.000 0.000 0.247 772 D C 0.436 176.673 176.300 -0.105 0.000 1.147 772 D CA 1.091 55.043 54.000 -0.081 0.000 0.879 772 D CB 0.854 41.615 40.800 -0.065 0.000 1.179 772 D HN 0.655 nan 8.370 nan 0.000 0.456 773 T N -0.844 113.603 114.554 -0.180 0.000 2.906 773 T HA 0.638 4.988 4.350 -0.000 0.000 0.295 773 T C -0.270 174.240 174.700 -0.318 0.000 1.061 773 T CA -0.966 61.025 62.100 -0.183 0.000 1.000 773 T CB 1.112 69.912 68.868 -0.112 0.000 1.103 773 T HN 0.094 nan 8.240 nan 0.000 0.486 774 L N 2.607 123.577 121.223 -0.422 0.000 2.309 774 L HA 0.499 4.839 4.340 -0.000 0.000 0.282 774 L C 0.436 176.927 176.870 -0.632 0.000 1.036 774 L CA -0.818 53.583 54.840 -0.730 0.000 0.806 774 L CB 1.090 42.274 42.059 -1.458 0.000 1.220 774 L HN 0.714 nan 8.230 nan 0.000 0.429 775 N N 1.903 120.315 118.700 -0.481 0.000 2.868 775 N HA 0.058 4.797 4.740 -0.000 0.000 0.252 775 N C 0.421 175.780 175.510 -0.253 0.000 1.130 775 N CA -0.162 52.722 53.050 -0.276 0.000 1.026 775 N CB 0.185 38.572 38.487 -0.167 0.000 1.335 775 N HN 0.499 nan 8.380 nan 0.000 0.516 776 W N 1.930 123.187 121.300 -0.073 0.000 2.342 776 W HA 0.021 4.681 4.660 -0.000 0.000 0.297 776 W C 2.243 178.718 176.519 -0.073 0.000 1.213 776 W CA 0.778 58.078 57.345 -0.076 0.000 1.251 776 W CB -0.192 29.225 29.460 -0.070 0.000 1.136 776 W HN 0.564 nan 8.180 nan 0.000 0.526 777 G N -0.105 108.790 108.800 0.158 0.000 2.471 777 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.219 777 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.219 777 G C 1.574 176.493 174.900 0.032 0.000 1.125 777 G CA 0.899 46.051 45.100 0.087 0.000 0.775 777 G HN 0.384 nan 8.290 nan 0.000 0.548 778 G N 0.187 108.976 108.800 -0.018 0.000 3.088 778 G HA2 0.289 4.248 3.960 -0.000 0.000 0.212 778 G HA3 0.289 4.248 3.960 -0.000 0.000 0.212 778 G C 0.614 175.415 174.900 -0.164 0.000 1.173 778 G CA 0.015 45.077 45.100 -0.063 0.000 0.779 778 G HN 0.312 nan 8.290 nan 0.000 0.540 779 S N 0.661 116.274 115.700 -0.145 0.000 2.560 779 S HA 0.202 4.671 4.470 -0.000 0.000 0.284 779 S C -0.128 174.353 174.600 -0.198 0.000 1.327 779 S CA -0.180 57.869 58.200 -0.252 0.000 1.055 779 S CB 1.592 64.769 63.200 -0.038 0.000 0.868 779 S HN 0.327 nan 8.310 nan 0.000 0.506 780 D N 0.546 120.731 120.400 -0.359 0.000 2.494 780 D HA 0.244 4.884 4.640 -0.000 0.000 0.259 780 D C 1.206 177.489 176.300 -0.027 0.000 1.109 780 D CA -0.860 53.066 54.000 -0.123 0.000 1.040 780 D CB 0.575 41.274 40.800 -0.168 0.000 1.175 780 D HN 0.726 nan 8.370 nan 0.000 0.584 781 W N 1.233 122.643 121.300 0.184 0.000 2.421 781 W HA -0.167 4.493 4.660 -0.000 0.000 0.270 781 W C 0.752 177.498 176.519 0.379 0.000 1.233 781 W CA 0.609 58.112 57.345 0.265 0.000 1.226 781 W CB -0.912 28.729 29.460 0.303 0.000 1.121 781 W HN 0.430 nan 8.180 nan 0.000 0.579 782 Y N -0.879 119.173 120.300 -0.414 0.000 2.481 782 Y HA 0.420 4.969 4.550 -0.000 0.000 0.247 782 Y C -0.224 175.729 175.900 0.089 0.000 1.151 782 Y CA -1.072 56.846 58.100 -0.303 0.000 1.238 782 Y CB -0.854 37.081 38.460 -0.875 0.000 1.179 782 Y HN 0.032 nan 8.280 nan 0.000 0.524 783 Y N -2.131 117.842 120.300 -0.545 0.000 2.774 783 Y HA 0.684 5.234 4.550 -0.000 0.000 0.346 783 Y C -1.764 173.958 175.900 -0.296 0.000 1.222 783 Y CA -1.459 56.391 58.100 -0.415 0.000 1.088 783 Y CB 1.035 39.264 38.460 -0.384 0.000 1.354 783 Y HN -0.172 nan 8.280 nan 0.000 0.455 784 T N 4.762 118.984 114.554 -0.553 0.000 2.812 784 T HA 0.463 4.813 4.350 -0.000 0.000 0.282 784 T C -2.894 171.515 174.700 -0.485 0.000 0.990 784 T CA -1.432 60.331 62.100 -0.562 0.000 0.960 784 T CB 1.684 70.405 68.868 -0.246 0.000 0.948 784 T HN 0.500 nan 8.240 nan 0.000 0.438 785 P HA 0.195 nan 4.420 nan 0.000 0.274 785 P C -0.833 176.325 177.300 -0.237 0.000 1.246 785 P CA -0.594 62.433 63.100 -0.122 0.000 0.795 785 P CB 0.916 32.592 31.700 -0.040 0.000 1.006 786 Q N -0.047 119.604 119.800 -0.248 0.000 2.243 786 Q HA 0.199 4.539 4.340 -0.000 0.000 0.252 786 Q C 1.242 177.035 176.000 -0.345 0.000 0.909 786 Q CA -0.376 55.138 55.803 -0.482 0.000 0.922 786 Q CB 1.075 29.186 28.738 -1.045 0.000 1.215 786 Q HN 0.466 nan 8.270 nan 0.000 0.427 787 S N 0.545 116.069 115.700 -0.293 0.000 2.446 787 S HA 0.238 4.708 4.470 -0.000 0.000 0.225 787 S C 0.575 175.108 174.600 -0.111 0.000 1.016 787 S CA 0.247 58.356 58.200 -0.151 0.000 0.943 787 S CB 0.367 63.496 63.200 -0.118 0.000 0.786 787 S HN 0.608 nan 8.310 nan 0.000 0.508 788 A N 0.247 122.936 122.820 -0.218 0.000 2.587 788 A HA 0.747 5.066 4.320 -0.000 0.000 0.293 788 A C -1.660 175.744 177.584 -0.301 0.000 1.087 788 A CA -0.813 51.162 52.037 -0.104 0.000 0.692 788 A CB 0.864 19.854 19.000 -0.017 0.000 1.291 788 A HN 0.234 nan 8.150 nan 0.000 0.407 789 F N 0.955 120.905 119.950 0.000 0.000 2.482 789 F HA 0.651 5.178 4.527 -0.000 0.000 0.331 789 F C 0.932 176.728 175.800 -0.007 0.000 1.115 789 F CA -0.215 57.786 58.000 0.001 0.000 0.955 789 F CB 1.981 40.977 39.000 -0.006 0.000 1.136 789 F HN 0.813 nan 8.300 nan 0.000 0.452 790 A N 1.417 124.317 122.820 0.134 0.000 2.507 790 A HA 0.212 4.532 4.320 -0.000 0.000 0.235 790 A C -0.293 177.321 177.584 0.049 0.000 1.070 790 A CA -0.032 52.045 52.037 0.067 0.000 0.768 790 A CB 0.017 19.030 19.000 0.022 0.000 1.011 790 A HN 0.683 nan 8.150 nan 0.000 0.502 791 D N 1.575 121.987 120.400 0.020 0.000 2.472 791 D HA 0.421 5.061 4.640 -0.000 0.000 0.234 791 D C 0.095 176.366 176.300 -0.050 0.000 1.088 791 D CA -0.139 53.857 54.000 -0.006 0.000 0.882 791 D CB 0.306 41.121 40.800 0.025 0.000 1.037 791 D HN 0.359 nan 8.370 nan 0.000 0.520 792 L N 2.373 123.509 121.223 -0.145 0.000 2.700 792 L HA 0.079 4.419 4.340 -0.000 0.000 0.234 792 L C 1.968 178.767 176.870 -0.119 0.000 1.156 792 L CA -0.044 54.681 54.840 -0.193 0.000 0.946 792 L CB 0.078 41.861 42.059 -0.461 0.000 1.216 792 L HN 0.279 nan 8.230 nan 0.000 0.493 793 S N -0.733 114.939 115.700 -0.046 0.000 2.515 793 S HA -0.071 4.399 4.470 -0.000 0.000 0.231 793 S C 2.064 176.696 174.600 0.053 0.000 0.987 793 S CA 0.676 58.896 58.200 0.033 0.000 0.936 793 S CB -0.435 62.789 63.200 0.040 0.000 0.766 793 S HN 0.440 nan 8.310 nan 0.000 0.528 794 G N 2.279 111.094 108.800 0.026 0.000 2.485 794 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.221 794 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.221 794 G C 1.297 176.221 174.900 0.041 0.000 1.115 794 G CA 0.913 46.033 45.100 0.033 0.000 0.751 794 G HN 0.559 nan 8.290 nan 0.000 0.567 795 L N -0.001 121.233 121.223 0.018 0.000 2.191 795 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 795 L C 2.555 179.651 176.870 0.377 0.000 1.103 795 L CA 0.982 55.839 54.840 0.028 0.000 0.769 795 L CB -0.476 41.411 42.059 -0.287 0.000 0.908 795 L HN 0.228 nan 8.230 nan 0.000 0.438 796 N N 0.124 119.016 118.700 0.320 0.000 2.272 796 N HA -0.161 4.579 4.740 -0.000 0.000 0.185 796 N C 1.070 176.680 175.510 0.167 0.000 1.014 796 N CA 1.026 54.241 53.050 0.274 0.000 0.870 796 N CB -0.027 38.559 38.487 0.165 0.000 0.975 796 N HN 0.308 nan 8.380 nan 0.000 0.433 797 N N 0.277 119.058 118.700 0.136 0.000 2.214 797 N HA 0.064 4.804 4.740 -0.000 0.000 0.214 797 N C -0.515 175.042 175.510 0.078 0.000 1.132 797 N CA -0.246 52.853 53.050 0.081 0.000 0.856 797 N CB 0.297 38.817 38.487 0.055 0.000 1.020 797 N HN 0.172 nan 8.380 nan 0.000 0.509 798 L N 1.691 122.990 121.223 0.125 0.000 2.513 798 L HA 0.270 4.610 4.340 -0.000 0.000 0.272 798 L C 0.917 177.829 176.870 0.069 0.000 1.187 798 L CA -0.090 54.800 54.840 0.084 0.000 0.895 798 L CB 0.155 42.265 42.059 0.086 0.000 1.147 798 L HN 0.077 nan 8.230 nan 0.000 0.483 799 G N 4.113 112.929 108.800 0.026 0.000 2.594 799 G HA2 0.142 4.101 3.960 -0.000 0.000 0.243 799 G HA3 0.142 4.101 3.960 -0.000 0.000 0.243 799 G C -0.347 174.556 174.900 0.004 0.000 1.229 799 G CA -0.622 44.484 45.100 0.010 0.000 0.843 799 G HN 0.705 nan 8.290 nan 0.000 0.578 800 Q N -0.411 119.383 119.800 -0.009 0.000 2.364 800 Q HA 0.278 4.618 4.340 -0.000 0.000 0.267 800 Q C 0.415 176.398 176.000 -0.029 0.000 0.999 800 Q CA 0.159 55.950 55.803 -0.020 0.000 0.886 800 Q CB 1.487 30.206 28.738 -0.032 0.000 1.243 800 Q HN 0.493 nan 8.270 nan 0.000 0.415 801 S N -0.191 115.489 115.700 -0.034 0.000 2.971 801 S HA 0.905 5.375 4.470 -0.000 0.000 0.320 801 S C -1.694 172.879 174.600 -0.046 0.000 1.111 801 S CA 0.038 58.208 58.200 -0.051 0.000 0.870 801 S CB 1.585 64.736 63.200 -0.081 0.000 1.331 801 S HN 0.696 nan 8.310 nan 0.000 0.635 802 A N 0.010 122.799 122.820 -0.051 0.000 2.604 802 A HA 0.756 5.076 4.320 -0.000 0.000 0.295 802 A C -1.514 176.042 177.584 -0.047 0.000 1.067 802 A CA -0.423 51.587 52.037 -0.044 0.000 0.683 802 A CB 1.348 20.328 19.000 -0.035 0.000 1.281 802 A HN 1.316 nan 8.150 nan 0.000 0.407 803 V N 0.494 120.381 119.914 -0.045 0.000 2.851 803 V HA 0.795 4.915 4.120 -0.000 0.000 0.307 803 V C 0.272 176.345 176.094 -0.035 0.000 1.129 803 V CA 1.017 63.291 62.300 -0.043 0.000 0.932 803 V CB 1.829 33.616 31.823 -0.059 0.000 1.024 803 V HN 2.761 nan 8.190 nan 0.000 0.426 804 G N 4.326 113.110 108.800 -0.026 0.000 2.468 804 G HA2 0.425 4.385 3.960 -0.000 0.000 0.143 804 G HA3 0.425 4.385 3.960 -0.000 0.000 0.143 804 G C -0.214 174.677 174.900 -0.016 0.000 1.065 804 G CA 0.013 45.102 45.100 -0.019 0.000 0.776 804 G HN 1.919 nan 8.290 nan 0.000 0.486 805 A N -0.010 122.802 122.820 -0.013 0.000 2.356 805 A HA 0.951 5.271 4.320 -0.000 0.000 0.310 805 A C -0.072 177.515 177.584 0.005 0.000 1.075 805 A CA -0.159 51.874 52.037 -0.006 0.000 0.746 805 A CB 1.956 20.949 19.000 -0.012 0.000 1.221 805 A HN 0.766 nan 8.150 nan 0.000 0.443 806 T N 1.170 115.733 114.554 0.014 0.000 2.861 806 T HA 0.750 5.099 4.350 -0.000 0.000 0.287 806 T C -0.422 174.298 174.700 0.033 0.000 1.003 806 T CA 0.088 62.200 62.100 0.019 0.000 0.977 806 T CB 1.623 70.501 68.868 0.016 0.000 0.996 806 T HN 1.447 nan 8.240 nan 0.000 0.448 807 A N 3.332 126.173 122.820 0.035 0.000 2.449 807 A HA 0.842 5.162 4.320 -0.000 0.000 0.302 807 A C -0.812 176.794 177.584 0.036 0.000 1.048 807 A CA -0.795 51.272 52.037 0.049 0.000 0.708 807 A CB 1.390 20.430 19.000 0.066 0.000 1.274 807 A HN 0.848 nan 8.150 nan 0.000 0.410 808 N N -0.242 118.479 118.700 0.035 0.000 2.416 808 N HA 0.694 5.434 4.740 -0.000 0.000 0.276 808 N C -1.237 174.284 175.510 0.018 0.000 1.261 808 N CA -0.404 52.659 53.050 0.022 0.000 0.790 808 N CB 1.907 40.402 38.487 0.012 0.000 1.554 808 N HN 0.565 nan 8.380 nan 0.000 0.481 809 S N 0.548 116.253 115.700 0.008 0.000 2.542 809 S HA 0.523 4.993 4.470 -0.000 0.000 0.293 809 S C -1.128 173.451 174.600 -0.034 0.000 1.089 809 S CA -0.608 57.586 58.200 -0.011 0.000 0.961 809 S CB 2.002 65.210 63.200 0.013 0.000 1.062 809 S HN 0.279 nan 8.310 nan 0.000 0.483 810 V N 2.043 121.918 119.914 -0.066 0.000 2.409 810 V HA 0.652 4.772 4.120 -0.000 0.000 0.291 810 V C 0.055 176.086 176.094 -0.105 0.000 1.020 810 V CA -0.804 61.454 62.300 -0.071 0.000 0.848 810 V CB 1.294 33.078 31.823 -0.064 0.000 0.990 810 V HN 1.032 nan 8.190 nan 0.000 0.430 811 A N 4.234 127.003 122.820 -0.086 0.000 2.415 811 A HA 0.670 4.989 4.320 -0.000 0.000 0.309 811 A C 0.785 178.319 177.584 -0.084 0.000 1.356 811 A CA 0.185 52.163 52.037 -0.097 0.000 0.998 811 A CB -0.098 18.862 19.000 -0.067 0.000 1.145 811 A HN 1.018 nan 8.150 nan 0.000 0.545 812 G N 0.630 109.369 108.800 -0.101 0.000 2.539 812 G HA2 0.457 4.417 3.960 -0.000 0.000 0.258 812 G HA3 0.457 4.417 3.960 -0.000 0.000 0.258 812 G C 1.059 175.921 174.900 -0.064 0.000 1.202 812 G CA 0.055 45.108 45.100 -0.079 0.000 0.851 812 G HN 1.228 nan 8.290 nan 0.000 0.556 813 A N 0.479 123.270 122.820 -0.049 0.000 2.125 813 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 813 A C 1.809 179.370 177.584 -0.038 0.000 1.156 813 A CA 1.868 53.882 52.037 -0.038 0.000 0.671 813 A CB -0.170 18.812 19.000 -0.030 0.000 0.794 813 A HN 0.667 nan 8.150 nan 0.000 0.459 814 D N -1.894 118.479 120.400 -0.046 0.000 2.328 814 D HA 0.233 4.873 4.640 -0.000 0.000 0.226 814 D C 1.112 177.382 176.300 -0.050 0.000 1.066 814 D CA 0.795 54.769 54.000 -0.044 0.000 0.861 814 D CB -0.631 40.141 40.800 -0.046 0.000 0.912 814 D HN 0.717 nan 8.370 nan 0.000 0.521 815 G N 0.390 109.155 108.800 -0.057 0.000 2.143 815 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.249 815 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.249 815 G C 0.381 175.228 174.900 -0.088 0.000 0.981 815 G CA 0.592 45.657 45.100 -0.059 0.000 0.665 815 G HN 0.816 nan 8.290 nan 0.000 0.528 816 T N -1.861 112.622 114.554 -0.119 0.000 2.925 816 T HA 0.717 5.067 4.350 -0.000 0.000 0.285 816 T C -0.151 174.386 174.700 -0.272 0.000 1.021 816 T CA 0.153 62.139 62.100 -0.190 0.000 1.042 816 T CB 2.557 71.322 68.868 -0.172 0.000 1.037 816 T HN 0.267 nan 8.240 nan 0.000 0.481 817 T N 2.372 116.629 114.554 -0.495 0.000 2.823 817 T HA 0.576 4.926 4.350 -0.000 0.000 0.279 817 T C -0.365 173.943 174.700 -0.653 0.000 0.998 817 T CA -0.505 61.248 62.100 -0.578 0.000 0.994 817 T CB 1.387 69.838 68.868 -0.694 0.000 0.960 817 T HN 0.787 nan 8.240 nan 0.000 0.448 818 T N 3.096 117.430 114.554 -0.365 0.000 2.770 818 T HA 0.481 4.831 4.350 -0.000 0.000 0.283 818 T C -0.120 174.484 174.700 -0.160 0.000 0.988 818 T CA -0.509 61.436 62.100 -0.259 0.000 0.957 818 T CB 1.095 69.866 68.868 -0.162 0.000 0.930 818 T HN 0.469 nan 8.240 nan 0.000 0.443 819 T N 3.364 117.860 114.554 -0.097 0.000 2.771 819 T HA 0.488 4.838 4.350 -0.000 0.000 0.281 819 T C 0.001 174.689 174.700 -0.020 0.000 0.982 819 T CA -0.477 61.618 62.100 -0.008 0.000 0.978 819 T CB 1.035 69.958 68.868 0.091 0.000 0.930 819 T HN 0.476 nan 8.240 nan 0.000 0.447 820 T N 2.992 117.559 114.554 0.022 0.000 2.779 820 T HA 0.565 4.915 4.350 -0.000 0.000 0.280 820 T C -0.402 174.351 174.700 0.088 0.000 0.987 820 T CA -0.606 61.524 62.100 0.050 0.000 0.966 820 T CB 1.137 70.021 68.868 0.026 0.000 0.933 820 T HN 0.522 nan 8.240 nan 0.000 0.442 821 V N 2.795 122.792 119.914 0.139 0.000 2.487 821 V HA 0.756 4.876 4.120 -0.000 0.000 0.298 821 V C -0.550 175.595 176.094 0.086 0.000 1.028 821 V CA -0.326 62.051 62.300 0.127 0.000 0.860 821 V CB 1.966 33.898 31.823 0.182 0.000 0.991 821 V HN 0.818 nan 8.190 nan 0.000 0.427 822 T N 8.413 122.998 114.554 0.052 0.000 2.756 822 T HA 0.637 4.987 4.350 -0.000 0.000 0.290 822 T C -0.337 174.373 174.700 0.016 0.000 0.985 822 T CA -0.174 61.945 62.100 0.033 0.000 0.955 822 T CB 0.754 69.638 68.868 0.027 0.000 0.930 822 T HN 0.673 nan 8.240 nan 0.000 0.451 823 L N 3.249 124.474 121.223 0.004 0.000 2.334 823 L HA 0.715 5.055 4.340 -0.000 0.000 0.273 823 L C -0.017 176.850 176.870 -0.005 0.000 1.013 823 L CA -0.954 53.878 54.840 -0.013 0.000 0.816 823 L CB 1.746 43.780 42.059 -0.042 0.000 1.278 823 L HN 0.439 nan 8.230 nan 0.000 0.431 824 K N 1.654 122.049 120.400 -0.008 0.000 2.535 824 K HA 0.255 4.575 4.320 -0.000 0.000 0.251 824 K C -1.102 175.494 176.600 -0.006 0.000 0.942 824 K CA -0.747 55.541 56.287 0.002 0.000 0.798 824 K CB 1.706 34.210 32.500 0.007 0.000 1.267 824 K HN 0.489 nan 8.250 nan 0.000 0.434 825 N N 2.724 121.426 118.700 0.002 0.000 2.406 825 N HA -0.011 4.729 4.740 -0.000 0.000 0.265 825 N C -0.251 175.255 175.510 -0.006 0.000 1.203 825 N CA 0.307 53.349 53.050 -0.012 0.000 0.945 825 N CB 0.937 39.417 38.487 -0.012 0.000 1.165 825 N HN 0.676 nan 8.380 nan 0.000 0.485 826 T N -0.253 114.292 114.554 -0.015 0.000 3.251 826 T HA 0.131 4.480 4.350 -0.000 0.000 0.259 826 T C 0.619 175.312 174.700 -0.013 0.000 0.998 826 T CA -0.692 61.402 62.100 -0.010 0.000 0.905 826 T CB -0.283 68.578 68.868 -0.012 0.000 1.067 826 T HN 0.277 nan 8.240 nan 0.000 0.569 827 S N -0.269 115.421 115.700 -0.016 0.000 2.578 827 S HA 0.616 5.086 4.470 -0.000 0.000 0.283 827 S C 1.289 175.886 174.600 -0.005 0.000 1.195 827 S CA -0.315 57.875 58.200 -0.017 0.000 1.050 827 S CB 1.122 64.302 63.200 -0.034 0.000 1.012 827 S HN 0.427 nan 8.310 nan 0.000 0.511 828 G N 2.135 110.934 108.800 -0.002 0.000 3.189 828 G HA2 0.444 4.404 3.960 -0.000 0.000 0.225 828 G HA3 0.444 4.404 3.960 -0.000 0.000 0.225 828 G C 0.561 175.467 174.900 0.011 0.000 1.159 828 G CA 0.098 45.202 45.100 0.007 0.000 0.763 828 G HN 0.910 nan 8.290 nan 0.000 0.549 829 G N 0.042 108.845 108.800 0.005 0.000 2.773 829 G HA2 0.422 4.382 3.960 -0.000 0.000 0.186 829 G HA3 0.422 4.382 3.960 -0.000 0.000 0.186 829 G C 0.609 175.523 174.900 0.024 0.000 1.411 829 G CA -0.641 44.465 45.100 0.011 0.000 1.054 829 G HN 0.160 nan 8.290 nan 0.000 0.579 830 R N -1.423 119.093 120.500 0.026 0.000 2.437 830 R HA 0.330 4.670 4.340 -0.000 0.000 0.257 830 R C 0.371 176.665 176.300 -0.010 0.000 0.927 830 R CA -0.222 55.912 56.100 0.057 0.000 1.078 830 R CB 0.167 30.526 30.300 0.099 0.000 1.161 830 R HN 0.189 nan 8.270 nan 0.000 0.529 831 L N 3.711 124.890 121.223 -0.074 0.000 2.367 831 L HA 0.264 4.604 4.340 -0.000 0.000 0.275 831 L C -1.948 174.705 176.870 -0.360 0.000 1.129 831 L CA -1.933 52.799 54.840 -0.180 0.000 0.839 831 L CB 0.493 42.484 42.059 -0.113 0.000 1.133 831 L HN -0.152 nan 8.230 nan 0.000 0.453 832 P HA 0.092 nan 4.420 nan 0.000 0.274 832 P C -0.937 176.094 177.300 -0.447 0.000 1.231 832 P CA -0.533 61.993 63.100 -0.956 0.000 0.790 832 P CB 1.002 31.562 31.700 -1.899 0.000 0.951 833 A N 3.110 125.740 122.820 -0.316 0.000 2.343 833 A HA 0.381 4.701 4.320 -0.000 0.000 0.305 833 A C -0.656 176.868 177.584 -0.101 0.000 1.308 833 A CA -0.331 51.618 52.037 -0.146 0.000 0.949 833 A CB -0.982 17.951 19.000 -0.113 0.000 1.148 833 A HN 0.489 nan 8.150 nan 0.000 0.545 834 F N 3.211 123.049 119.950 -0.187 0.000 2.436 834 F HA 0.481 5.008 4.527 -0.000 0.000 0.340 834 F C -0.105 175.679 175.800 -0.028 0.000 1.113 834 F CA -1.117 56.783 58.000 -0.166 0.000 1.022 834 F CB 0.521 39.403 39.000 -0.198 0.000 1.128 834 F HN 0.663 nan 8.300 nan 0.000 0.466 835 Y N 4.036 123.789 120.300 -0.912 0.000 2.994 835 Y HA -0.154 4.396 4.550 -0.000 0.000 0.168 835 Y C -1.361 174.255 175.900 -0.474 0.000 1.648 835 Y CA 0.294 57.831 58.100 -0.937 0.000 0.924 835 Y CB -1.196 36.355 38.460 -1.515 0.000 1.415 835 Y HN 0.392 nan 8.280 nan 0.000 0.391 836 V N 4.035 123.655 119.914 -0.490 0.000 2.364 836 V HA 0.255 4.375 4.120 -0.000 0.000 0.272 836 V C 0.142 175.940 176.094 -0.494 0.000 1.036 836 V CA -0.443 61.637 62.300 -0.367 0.000 0.880 836 V CB 1.560 33.234 31.823 -0.248 0.000 0.991 836 V HN 0.452 nan 8.190 nan 0.000 0.460 837 D N 3.444 123.592 120.400 -0.419 0.000 2.303 837 D HA 0.374 5.014 4.640 -0.000 0.000 0.236 837 D C -0.398 175.689 176.300 -0.355 0.000 1.068 837 D CA -0.033 53.700 54.000 -0.443 0.000 0.830 837 D CB 1.752 42.397 40.800 -0.258 0.000 1.109 837 D HN 0.465 nan 8.370 nan 0.000 0.496 838 S N 3.559 118.948 115.700 -0.517 0.000 2.462 838 S HA 0.489 4.959 4.470 -0.000 0.000 0.294 838 S C -0.294 174.109 174.600 -0.330 0.000 1.144 838 S CA -0.814 57.127 58.200 -0.431 0.000 1.088 838 S CB 1.339 64.195 63.200 -0.573 0.000 1.009 838 S HN 0.246 nan 8.310 nan 0.000 0.484 839 K N 2.235 122.633 120.400 -0.004 0.000 2.471 839 K HA 0.370 4.690 4.320 -0.000 0.000 0.252 839 K C -1.046 175.681 176.600 0.211 0.000 0.938 839 K CA -0.641 55.742 56.287 0.161 0.000 0.796 839 K CB 2.085 34.619 32.500 0.057 0.000 1.161 839 K HN 0.375 nan 8.250 nan 0.000 0.425 840 V N 3.736 123.797 119.914 0.245 0.000 2.479 840 V HA 0.126 4.246 4.120 -0.000 0.000 0.281 840 V C 0.429 176.472 176.094 -0.084 0.000 1.031 840 V CA -0.372 61.918 62.300 -0.018 0.000 1.038 840 V CB 0.680 32.278 31.823 -0.374 0.000 0.981 840 V HN 0.538 nan 8.190 nan 0.000 0.478 841 V N 1.899 121.773 119.914 -0.068 0.000 3.040 841 V HA 0.810 4.930 4.120 -0.000 0.000 0.312 841 V C -0.448 175.607 176.094 -0.064 0.000 1.115 841 V CA -1.051 61.211 62.300 -0.063 0.000 0.998 841 V CB 2.144 33.949 31.823 -0.031 0.000 1.042 841 V HN 0.752 nan 8.190 nan 0.000 0.433 842 D N 1.351 121.717 120.400 -0.056 0.000 2.469 842 D HA 0.265 4.905 4.640 -0.000 0.000 0.278 842 D C 1.429 177.714 176.300 -0.026 0.000 1.231 842 D CA 0.231 54.208 54.000 -0.039 0.000 1.075 842 D CB 0.420 41.198 40.800 -0.036 0.000 1.121 842 D HN 0.809 nan 8.370 nan 0.000 0.571 843 S N -1.708 113.980 115.700 -0.019 0.000 2.474 843 S HA -0.021 4.449 4.470 -0.000 0.000 0.235 843 S C 1.752 176.340 174.600 -0.019 0.000 0.997 843 S CA 0.496 58.686 58.200 -0.016 0.000 0.949 843 S CB -0.701 62.492 63.200 -0.011 0.000 0.766 843 S HN 0.646 nan 8.310 nan 0.000 0.517 844 A N 0.675 123.481 122.820 -0.024 0.000 2.251 844 A HA 0.587 4.907 4.320 -0.000 0.000 0.209 844 A C 1.715 179.282 177.584 -0.030 0.000 1.187 844 A CA 0.434 52.455 52.037 -0.027 0.000 0.823 844 A CB -0.982 18.000 19.000 -0.030 0.000 0.846 844 A HN 1.474 nan 8.150 nan 0.000 0.486 845 G N -0.656 108.126 108.800 -0.030 0.000 2.141 845 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.242 845 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.242 845 G C 0.171 175.049 174.900 -0.036 0.000 0.982 845 G CA 0.502 45.584 45.100 -0.030 0.000 0.662 845 G HN 0.762 nan 8.290 nan 0.000 0.527 846 K N 1.292 121.666 120.400 -0.043 0.000 2.227 846 K HA 0.614 4.934 4.320 -0.000 0.000 0.280 846 K C -2.323 174.243 176.600 -0.055 0.000 1.041 846 K CA -2.257 53.999 56.287 -0.052 0.000 0.905 846 K CB 1.019 33.483 32.500 -0.060 0.000 1.068 846 K HN 0.002 nan 8.250 nan 0.000 0.470 847 P HA -0.090 nan 4.420 nan 0.000 0.264 847 P C -1.000 176.254 177.300 -0.076 0.000 1.183 847 P CA -0.181 62.890 63.100 -0.048 0.000 0.763 847 P CB 0.554 32.241 31.700 -0.022 0.000 0.807 848 V N 5.799 125.635 119.914 -0.129 0.000 2.408 848 V HA 0.243 4.363 4.120 -0.000 0.000 0.267 848 V C 0.456 176.470 176.094 -0.134 0.000 1.047 848 V CA 0.233 62.428 62.300 -0.176 0.000 0.937 848 V CB -0.185 31.420 31.823 -0.363 0.000 0.999 848 V HN 0.355 nan 8.190 nan 0.000 0.472 849 L N 7.108 128.299 121.223 -0.053 0.000 2.409 849 L HA 0.612 4.952 4.340 -0.000 0.000 0.262 849 L C -2.297 174.579 176.870 0.009 0.000 0.992 849 L CA -1.799 53.044 54.840 0.004 0.000 0.817 849 L CB 2.856 44.938 42.059 0.039 0.000 1.350 849 L HN 0.414 nan 8.230 nan 0.000 0.411 850 P HA 0.270 nan 4.420 nan 0.000 0.274 850 P C -1.179 176.197 177.300 0.126 0.000 1.256 850 P CA -0.312 62.824 63.100 0.060 0.000 0.795 850 P CB 2.058 33.683 31.700 -0.124 0.000 1.038 851 V N -0.373 119.671 119.914 0.216 0.000 3.087 851 V HA 0.366 4.486 4.120 -0.000 0.000 0.306 851 V C -1.489 174.624 176.094 0.031 0.000 1.187 851 V CA -0.600 61.741 62.300 0.068 0.000 0.999 851 V CB 2.356 34.146 31.823 -0.055 0.000 1.049 851 V HN 0.574 nan 8.190 nan 0.000 0.431 852 E N 4.677 124.838 120.200 -0.065 0.000 2.255 852 E HA 0.344 4.694 4.350 -0.000 0.000 0.256 852 E C -1.862 174.665 176.600 -0.122 0.000 0.887 852 E CA -0.296 56.076 56.400 -0.046 0.000 0.782 852 E CB 1.719 31.431 29.700 0.020 0.000 1.214 852 E HN 0.623 nan 8.360 nan 0.000 0.417 853 W N 2.848 124.161 121.300 0.023 0.000 2.449 853 W HA 0.178 4.838 4.660 -0.000 0.000 0.331 853 W C 1.733 178.263 176.519 0.018 0.000 1.119 853 W CA -0.547 56.813 57.345 0.025 0.000 1.240 853 W CB 0.633 30.104 29.460 0.019 0.000 1.251 853 W HN 0.501 nan 8.180 nan 0.000 0.576 854 N N 0.365 119.220 118.700 0.258 0.000 2.270 854 N HA -0.114 4.626 4.740 -0.000 0.000 0.181 854 N C -0.258 175.333 175.510 0.136 0.000 1.016 854 N CA 1.295 54.434 53.050 0.149 0.000 0.870 854 N CB 0.120 38.672 38.487 0.109 0.000 0.979 854 N HN 0.482 nan 8.380 nan 0.000 0.431 855 D N -1.588 118.908 120.400 0.159 0.000 2.622 855 D HA 0.460 5.100 4.640 -0.000 0.000 0.255 855 D C -1.690 174.542 176.300 -0.114 0.000 1.246 855 D CA -0.577 53.445 54.000 0.036 0.000 0.795 855 D CB 1.520 42.329 40.800 0.015 0.000 1.369 855 D HN 0.028 nan 8.370 nan 0.000 0.425 856 N N -0.245 118.256 118.700 -0.332 0.000 3.339 856 N HA 0.533 5.273 4.740 -0.000 0.000 0.275 856 N C -1.411 173.642 175.510 -0.762 0.000 1.514 856 N CA 0.368 52.984 53.050 -0.722 0.000 0.879 856 N CB 1.300 39.094 38.487 -1.154 0.000 1.557 856 N HN 0.863 nan 8.380 nan 0.000 0.524 857 A N -0.152 122.073 122.820 -0.991 0.000 2.610 857 A HA -0.112 4.208 4.320 -0.000 0.000 0.299 857 A C 0.277 177.476 177.584 -0.642 0.000 1.487 857 A CA 1.060 52.492 52.037 -1.008 0.000 0.743 857 A CB -2.481 15.898 19.000 -1.035 0.000 1.070 857 A HN 1.151 nan 8.150 nan 0.000 0.439 858 V N -2.308 117.321 119.914 -0.475 0.000 2.837 858 V HA 0.941 5.061 4.120 -0.000 0.000 0.310 858 V C 0.368 176.354 176.094 -0.181 0.000 1.059 858 V CA -0.095 62.062 62.300 -0.238 0.000 1.004 858 V CB 2.127 33.851 31.823 -0.165 0.000 1.045 858 V HN 1.072 nan 8.190 nan 0.000 0.465 859 S N 3.716 119.410 115.700 -0.010 0.000 2.561 859 S HA 0.756 5.226 4.470 -0.000 0.000 0.303 859 S C -0.751 173.936 174.600 0.146 0.000 1.110 859 S CA -0.498 57.736 58.200 0.057 0.000 1.034 859 S CB 1.042 64.387 63.200 0.241 0.000 1.010 859 S HN 0.728 nan 8.310 nan 0.000 0.482 860 L N 2.630 123.867 121.223 0.022 0.000 2.376 860 L HA 0.513 4.853 4.340 -0.000 0.000 0.275 860 L C -0.503 176.387 176.870 0.032 0.000 0.987 860 L CA -0.578 54.332 54.840 0.117 0.000 0.828 860 L CB 1.230 43.312 42.059 0.038 0.000 1.249 860 L HN 0.547 nan 8.230 nan 0.000 0.409 861 W N 2.695 123.974 121.300 -0.035 0.000 2.183 861 W HA 0.252 4.912 4.660 -0.000 0.000 0.348 861 W C -2.051 174.447 176.519 -0.035 0.000 1.257 861 W CA -1.488 55.816 57.345 -0.070 0.000 1.324 861 W CB 0.988 30.380 29.460 -0.112 0.000 1.144 861 W HN 0.126 nan 8.180 nan 0.000 0.622 862 P HA -0.009 nan 4.420 nan 0.000 0.262 862 P C 0.498 177.867 177.300 0.115 0.000 1.182 862 P CA 2.093 65.246 63.100 0.089 0.000 0.761 862 P CB 0.171 31.918 31.700 0.078 0.000 0.795 863 G N 1.590 110.437 108.800 0.077 0.000 2.175 863 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.244 863 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.244 863 G C -0.061 174.883 174.900 0.073 0.000 0.982 863 G CA -0.305 44.836 45.100 0.069 0.000 0.641 863 G HN 0.551 nan 8.290 nan 0.000 0.527 864 E N 0.337 120.591 120.200 0.091 0.000 2.202 864 E HA 0.659 5.009 4.350 -0.000 0.000 0.272 864 E C -0.501 176.137 176.600 0.063 0.000 0.951 864 E CA -0.354 56.100 56.400 0.091 0.000 0.813 864 E CB 1.709 31.494 29.700 0.142 0.000 1.151 864 E HN 0.142 nan 8.360 nan 0.000 0.398 865 T N 0.584 115.169 114.554 0.053 0.000 2.903 865 T HA 0.503 4.852 4.350 -0.000 0.000 0.299 865 T C -0.734 173.988 174.700 0.036 0.000 1.093 865 T CA -0.625 61.497 62.100 0.036 0.000 1.002 865 T CB 2.074 70.960 68.868 0.030 0.000 1.127 865 T HN 0.366 nan 8.240 nan 0.000 0.488 866 T N 0.914 115.483 114.554 0.025 0.000 2.894 866 T HA 0.628 4.978 4.350 -0.000 0.000 0.309 866 T C -1.414 173.302 174.700 0.026 0.000 1.208 866 T CA -0.393 61.722 62.100 0.025 0.000 1.016 866 T CB 1.607 70.486 68.868 0.018 0.000 1.192 866 T HN 0.577 nan 8.240 nan 0.000 0.491 867 T N 4.283 118.860 114.554 0.037 0.000 2.792 867 T HA 0.651 5.001 4.350 -0.000 0.000 0.280 867 T C -0.607 174.139 174.700 0.077 0.000 0.990 867 T CA -0.533 61.598 62.100 0.052 0.000 0.960 867 T CB 0.545 69.439 68.868 0.044 0.000 0.939 867 T HN 0.401 nan 8.240 nan 0.000 0.439 868 L N 2.291 123.588 121.223 0.123 0.000 2.330 868 L HA 0.711 5.051 4.340 -0.000 0.000 0.271 868 L C 0.089 177.113 176.870 0.256 0.000 1.013 868 L CA -0.919 54.052 54.840 0.218 0.000 0.816 868 L CB 2.137 44.356 42.059 0.267 0.000 1.287 868 L HN 0.537 nan 8.230 nan 0.000 0.435 869 T N 1.295 115.998 114.554 0.248 0.000 2.841 869 T HA 0.673 5.023 4.350 -0.000 0.000 0.285 869 T C -0.621 174.010 174.700 -0.115 0.000 0.991 869 T CA -0.499 61.640 62.100 0.065 0.000 0.966 869 T CB 1.819 70.701 68.868 0.025 0.000 0.962 869 T HN 0.656 nan 8.240 nan 0.000 0.438 870 A N 3.290 125.827 122.820 -0.472 0.000 2.342 870 A HA 0.827 5.147 4.320 -0.000 0.000 0.323 870 A C -0.453 176.930 177.584 -0.335 0.000 1.125 870 A CA -0.803 50.725 52.037 -0.848 0.000 0.785 870 A CB 1.217 19.201 19.000 -1.693 0.000 1.221 870 A HN 0.717 nan 8.150 nan 0.000 0.463 871 K N 1.472 121.735 120.400 -0.228 0.000 2.324 871 K HA 0.727 5.046 4.320 -0.000 0.000 0.253 871 K C -1.599 175.000 176.600 -0.001 0.000 0.932 871 K CA -0.554 55.633 56.287 -0.166 0.000 0.799 871 K CB 1.367 33.781 32.500 -0.142 0.000 1.154 871 K HN 0.854 nan 8.250 nan 0.000 0.425 872 Y N -1.193 119.022 120.300 -0.140 0.000 2.677 872 Y HA 0.423 4.973 4.550 -0.000 0.000 0.334 872 Y C -1.173 174.682 175.900 -0.075 0.000 1.196 872 Y CA -1.476 56.564 58.100 -0.100 0.000 1.059 872 Y CB 0.742 39.136 38.460 -0.110 0.000 1.315 872 Y HN 0.346 nan 8.280 nan 0.000 0.455 873 R N 1.093 121.630 120.500 0.061 0.000 2.401 873 R HA 0.188 4.528 4.340 -0.000 0.000 0.299 873 R C 0.479 176.806 176.300 0.044 0.000 1.064 873 R CA 0.609 56.709 56.100 0.000 0.000 1.000 873 R CB 0.892 31.204 30.300 0.020 0.000 0.973 873 R HN 0.955 nan 8.270 nan 0.000 0.438 874 T N 2.320 116.840 114.554 -0.057 0.000 2.699 874 T HA -0.270 4.080 4.350 -0.000 0.000 0.268 874 T C 1.919 176.645 174.700 0.043 0.000 1.036 874 T CA 1.819 63.908 62.100 -0.019 0.000 1.147 874 T CB -0.067 68.766 68.868 -0.059 0.000 0.862 874 T HN 0.764 nan 8.240 nan 0.000 0.446 875 A N 1.983 124.817 122.820 0.023 0.000 1.978 875 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 875 A C 2.008 179.614 177.584 0.037 0.000 1.170 875 A CA 1.647 53.698 52.037 0.023 0.000 0.636 875 A CB -0.564 18.441 19.000 0.009 0.000 0.810 875 A HN 0.375 nan 8.150 nan 0.000 0.448 876 D N -0.344 120.092 120.400 0.061 0.000 2.350 876 D HA -0.066 4.573 4.640 -0.000 0.000 0.216 876 D C 1.366 177.692 176.300 0.043 0.000 0.968 876 D CA 0.374 54.405 54.000 0.052 0.000 0.894 876 D CB -0.064 40.774 40.800 0.063 0.000 0.909 876 D HN 0.230 nan 8.370 nan 0.000 0.520 877 L N 0.701 121.970 121.223 0.076 0.000 2.362 877 L HA -0.044 4.296 4.340 -0.000 0.000 0.219 877 L C 0.793 177.674 176.870 0.019 0.000 1.134 877 L CA 0.865 55.734 54.840 0.047 0.000 0.807 877 L CB -0.753 41.358 42.059 0.086 0.000 0.927 877 L HN 0.040 nan 8.230 nan 0.000 0.447 878 K N -0.052 120.358 120.400 0.018 0.000 3.156 878 K HA -0.269 4.051 4.320 -0.000 0.000 0.266 878 K C 1.129 177.732 176.600 0.005 0.000 0.966 878 K CA 0.304 56.594 56.287 0.006 0.000 0.719 878 K CB -1.884 30.614 32.500 -0.003 0.000 1.333 878 K HN 0.531 nan 8.250 nan 0.000 0.468 879 G N -0.852 107.954 108.800 0.010 0.000 2.268 879 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.240 879 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.240 879 G C 0.181 175.086 174.900 0.008 0.000 1.010 879 G CA 0.275 45.380 45.100 0.007 0.000 0.618 879 G HN 0.630 nan 8.290 nan 0.000 0.516 880 S N 0.801 116.506 115.700 0.008 0.000 2.576 880 S HA 0.497 4.967 4.470 -0.000 0.000 0.276 880 S C 0.764 175.374 174.600 0.017 0.000 1.339 880 S CA 0.174 58.378 58.200 0.007 0.000 1.039 880 S CB 0.460 63.659 63.200 -0.002 0.000 0.902 880 S HN 0.436 nan 8.310 nan 0.000 0.516 881 K N 3.833 124.241 120.400 0.014 0.000 2.295 881 K HA 0.286 4.605 4.320 -0.000 0.000 0.270 881 K C -2.256 174.360 176.600 0.026 0.000 1.011 881 K CA -1.424 54.876 56.287 0.022 0.000 0.953 881 K CB 0.204 32.712 32.500 0.014 0.000 0.956 881 K HN 0.527 nan 8.250 nan 0.000 0.477 882 P HA 0.133 nan 4.420 nan 0.000 0.284 882 P C -0.951 176.366 177.300 0.029 0.000 1.253 882 P CA -0.359 62.767 63.100 0.044 0.000 0.800 882 P CB 1.463 33.234 31.700 0.119 0.000 0.961 883 S N 0.570 116.276 115.700 0.010 0.000 2.671 883 S HA 0.600 5.070 4.470 -0.000 0.000 0.299 883 S C -0.634 173.982 174.600 0.027 0.000 1.116 883 S CA -0.660 57.550 58.200 0.017 0.000 0.912 883 S CB 1.513 64.716 63.200 0.005 0.000 1.130 883 S HN 0.227 nan 8.310 nan 0.000 0.501 884 V N 1.894 121.833 119.914 0.042 0.000 2.444 884 V HA 0.509 4.629 4.120 -0.000 0.000 0.294 884 V C -0.106 176.006 176.094 0.030 0.000 1.022 884 V CA -0.741 61.601 62.300 0.069 0.000 0.850 884 V CB 1.408 33.303 31.823 0.120 0.000 0.992 884 V HN 0.757 nan 8.190 nan 0.000 0.426 885 R N 4.783 125.295 120.500 0.019 0.000 2.221 885 R HA 0.668 5.008 4.340 -0.000 0.000 0.327 885 R C -1.268 175.010 176.300 -0.038 0.000 1.033 885 R CA -0.421 55.672 56.100 -0.012 0.000 0.887 885 R CB 0.743 31.034 30.300 -0.015 0.000 1.057 885 R HN 0.719 nan 8.270 nan 0.000 0.455 886 I N 3.343 123.881 120.570 -0.054 0.000 2.411 886 I HA 0.225 4.395 4.170 -0.000 0.000 0.284 886 I C -0.733 175.330 176.117 -0.089 0.000 1.012 886 I CA -0.281 60.966 61.300 -0.088 0.000 1.119 886 I CB 2.135 40.088 38.000 -0.079 0.000 1.261 886 I HN 0.553 nan 8.210 nan 0.000 0.448 887 S N 3.875 119.511 115.700 -0.106 0.000 2.561 887 S HA 0.756 5.226 4.470 -0.000 0.000 0.303 887 S C -0.024 174.516 174.600 -0.101 0.000 1.110 887 S CA -0.749 57.397 58.200 -0.090 0.000 1.034 887 S CB 1.879 65.037 63.200 -0.070 0.000 1.010 887 S HN 0.754 nan 8.310 nan 0.000 0.482 888 G N 0.923 109.675 108.800 -0.080 0.000 2.453 888 G HA2 0.430 4.390 3.960 -0.000 0.000 0.323 888 G HA3 0.430 4.390 3.960 -0.000 0.000 0.323 888 G C 0.385 175.299 174.900 0.022 0.000 1.198 888 G CA -0.877 44.191 45.100 -0.052 0.000 0.959 888 G HN 0.776 nan 8.290 nan 0.000 0.482 889 W N 2.136 123.368 121.300 -0.113 0.000 2.304 889 W HA -0.173 4.487 4.660 -0.000 0.000 0.315 889 W C 0.728 177.229 176.519 -0.030 0.000 1.233 889 W CA 2.004 59.305 57.345 -0.072 0.000 1.261 889 W CB 0.255 29.690 29.460 -0.042 0.000 1.150 889 W HN 0.646 nan 8.180 nan 0.000 0.494 890 N N -0.521 118.295 118.700 0.192 0.000 2.416 890 N HA 0.005 4.745 4.740 -0.000 0.000 0.267 890 N C 0.120 175.630 175.510 0.000 0.000 1.294 890 N CA 0.783 53.876 53.050 0.071 0.000 0.891 890 N CB -0.414 38.189 38.487 0.194 0.000 1.238 890 N HN 0.056 nan 8.380 nan 0.000 0.508 891 T N -4.684 109.851 114.554 -0.032 0.000 3.262 891 T HA 0.461 4.811 4.350 -0.000 0.000 0.300 891 T C 0.869 175.530 174.700 -0.065 0.000 0.959 891 T CA 0.248 62.319 62.100 -0.049 0.000 0.936 891 T CB 0.230 69.068 68.868 -0.051 0.000 1.169 891 T HN 0.415 nan 8.240 nan 0.000 0.532 892 G N 1.522 110.272 108.800 -0.084 0.000 2.601 892 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.252 892 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.252 892 G C -0.429 174.423 174.900 -0.080 0.000 1.294 892 G CA -0.133 44.914 45.100 -0.088 0.000 0.912 892 G HN 0.853 nan 8.290 nan 0.000 0.574 893 T N 1.290 115.801 114.554 -0.072 0.000 2.861 893 T HA 0.648 4.998 4.350 -0.000 0.000 0.287 893 T C -0.081 174.588 174.700 -0.052 0.000 1.003 893 T CA 0.105 62.167 62.100 -0.063 0.000 0.977 893 T CB 1.710 70.541 68.868 -0.062 0.000 0.996 893 T HN 0.937 nan 8.240 nan 0.000 0.448 894 Q N 0.198 119.969 119.800 -0.048 0.000 2.397 894 Q HA 0.752 5.092 4.340 -0.000 0.000 0.275 894 Q C -0.991 174.991 176.000 -0.031 0.000 1.090 894 Q CA -1.074 54.706 55.803 -0.037 0.000 0.809 894 Q CB 2.089 30.806 28.738 -0.035 0.000 1.362 894 Q HN 0.536 nan 8.270 nan 0.000 0.431 895 T N 0.199 114.740 114.554 -0.023 0.000 2.797 895 T HA 0.609 4.959 4.350 -0.000 0.000 0.279 895 T C -0.471 174.224 174.700 -0.008 0.000 0.991 895 T CA -0.448 61.644 62.100 -0.015 0.000 0.979 895 T CB 1.286 70.145 68.868 -0.014 0.000 0.943 895 T HN 0.772 nan 8.240 nan 0.000 0.444 896 V N 2.991 122.906 119.914 0.001 0.000 2.628 896 V HA 0.857 4.977 4.120 -0.000 0.000 0.306 896 V C -2.722 173.379 176.094 0.013 0.000 1.045 896 V CA -2.861 59.443 62.300 0.006 0.000 0.905 896 V CB 1.422 33.251 31.823 0.009 0.000 0.997 896 V HN 0.787 nan 8.190 nan 0.000 0.436 897 P HA 0.281 nan 4.420 nan 0.000 0.271 897 P C -0.219 177.095 177.300 0.024 0.000 1.218 897 P CA -0.006 63.103 63.100 0.014 0.000 0.780 897 P CB 1.429 33.135 31.700 0.009 0.000 0.901 898 A N 0.568 123.406 122.820 0.031 0.000 3.213 898 A HA 0.614 4.934 4.320 -0.000 0.000 0.308 898 A C 0.326 177.930 177.584 0.034 0.000 1.177 898 A CA 0.445 52.507 52.037 0.041 0.000 1.010 898 A CB -1.015 18.023 19.000 0.062 0.000 1.092 898 A HN 0.727 nan 8.150 nan 0.000 0.583 899 D N 0.000 120.414 120.400 0.023 0.000 6.856 899 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 899 D CA 0.000 nan 54.000 nan 0.000 0.868 899 D CB 0.000 nan 40.800 nan 0.000 0.688 899 D HN 0.000 nan 8.370 nan 0.000 0.683