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 2vzv_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 RGGAWSFNSA 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 0.000 176.885 176.870 0.025 0.000 1.165 42 L CA 0.000 54.850 54.840 0.016 0.000 0.813 42 L CB 0.000 42.066 42.059 0.012 0.000 0.961 43 S N 2.946 118.664 115.700 0.030 0.000 2.523 43 S HA 0.724 5.196 4.470 0.003 0.000 0.275 43 S C -0.310 174.315 174.600 0.041 0.000 1.281 43 S CA -0.085 58.135 58.200 0.034 0.000 1.050 43 S CB 1.086 64.305 63.200 0.033 0.000 0.937 43 S HN 0.993 nan 8.310 nan 0.000 0.492 44 V N 0.785 120.724 119.914 0.042 0.000 2.558 44 V HA 0.685 4.807 4.120 0.003 0.000 0.261 44 V C 0.453 176.576 176.094 0.049 0.000 0.958 44 V CA -0.862 61.469 62.300 0.051 0.000 0.852 44 V CB 0.337 32.196 31.823 0.060 0.000 1.067 44 V HN 0.808 nan 8.190 nan 0.000 0.468 45 G N 2.378 111.207 108.800 0.047 0.000 2.651 45 G HA2 0.494 4.456 3.960 0.003 0.000 0.260 45 G HA3 0.494 4.456 3.960 0.003 0.000 0.260 45 G C 0.747 175.676 174.900 0.049 0.000 1.216 45 G CA -0.305 44.821 45.100 0.045 0.000 0.913 45 G HN 1.605 nan 8.290 nan 0.000 0.535 46 A N -0.134 122.714 122.820 0.046 0.000 2.810 46 A HA 0.566 4.887 4.320 0.003 0.000 0.247 46 A C 1.082 178.697 177.584 0.052 0.000 1.576 46 A CA 0.486 52.552 52.037 0.049 0.000 1.294 46 A CB -1.015 18.011 19.000 0.043 0.000 0.976 46 A HN 1.307 nan 8.150 nan 0.000 0.631 47 A N 0.512 123.365 122.820 0.056 0.000 2.320 47 A HA 0.592 4.914 4.320 0.003 0.000 0.287 47 A C 0.729 178.350 177.584 0.062 0.000 1.181 47 A CA 0.184 52.254 52.037 0.055 0.000 0.831 47 A CB 0.202 19.233 19.000 0.053 0.000 1.102 47 A HN 1.376 nan 8.150 nan 0.000 0.513 48 A N 2.653 125.508 122.820 0.057 0.000 3.004 48 A HA 0.549 4.871 4.320 0.003 0.000 0.286 48 A C 1.058 178.676 177.584 0.056 0.000 1.632 48 A CA 0.303 52.377 52.037 0.061 0.000 1.339 48 A CB -1.083 17.951 19.000 0.056 0.000 1.136 48 A HN 2.234 nan 8.150 nan 0.000 0.577 49 G N 0.513 109.348 108.800 0.058 0.000 3.800 49 G HA2 -0.113 3.848 3.960 0.003 0.000 0.221 49 G HA3 -0.113 3.848 3.960 0.003 0.000 0.221 49 G C -0.102 174.831 174.900 0.056 0.000 0.893 49 G CA -0.408 44.722 45.100 0.051 0.000 0.986 49 G HN 0.593 nan 8.290 nan 0.000 0.719 50 N N 0.645 119.385 118.700 0.065 0.000 2.515 50 N HA 0.654 5.395 4.740 0.003 0.000 0.279 50 N C -0.401 175.156 175.510 0.079 0.000 1.164 50 N CA 0.527 53.619 53.050 0.071 0.000 0.982 50 N CB 1.414 39.946 38.487 0.075 0.000 1.170 50 N HN 0.523 nan 8.380 nan 0.000 0.474 51 A N 1.665 124.534 122.820 0.081 0.000 2.509 51 A HA 0.344 4.666 4.320 0.003 0.000 0.282 51 A C -1.138 176.502 177.584 0.093 0.000 1.054 51 A CA -0.602 51.489 52.037 0.091 0.000 0.820 51 A CB 0.880 19.930 19.000 0.082 0.000 1.333 51 A HN 0.472 nan 8.150 nan 0.000 0.409 52 T N 5.284 119.899 114.554 0.102 0.000 2.812 52 T HA 0.691 5.043 4.350 0.003 0.000 0.282 52 T C -2.915 171.851 174.700 0.109 0.000 0.990 52 T CA -1.190 60.967 62.100 0.096 0.000 0.960 52 T CB 1.766 70.683 68.868 0.083 0.000 0.948 52 T HN 0.478 nan 8.240 nan 0.000 0.438 53 P HA 0.349 nan 4.420 nan 0.000 0.280 53 P C -0.329 177.028 177.300 0.096 0.000 1.244 53 P CA -0.572 62.600 63.100 0.120 0.000 0.784 53 P CB 0.499 32.274 31.700 0.125 0.000 0.913 54 I N 5.937 126.562 120.570 0.092 0.000 2.587 54 I HA 0.000 4.172 4.170 0.003 0.000 0.284 54 I C -0.967 175.141 176.117 -0.015 0.000 1.134 54 I CA -1.169 60.131 61.300 0.001 0.000 1.410 54 I CB 0.386 38.340 38.000 -0.076 0.000 1.392 54 I HN 0.324 nan 8.210 nan 0.000 0.545 55 P HA 0.086 nan 4.420 nan 0.000 0.224 55 P C 0.440 177.757 177.300 0.027 0.000 1.157 55 P CA 0.519 63.639 63.100 0.034 0.000 0.799 55 P CB 0.426 32.150 31.700 0.041 0.000 0.809 56 G N -1.980 106.758 108.800 -0.104 0.000 2.623 56 G HA2 0.570 4.532 3.960 0.003 0.000 0.290 56 G HA3 0.570 4.532 3.960 0.003 0.000 0.290 56 G C -2.123 172.608 174.900 -0.282 0.000 1.437 56 G CA -0.562 44.507 45.100 -0.051 0.000 0.798 56 G HN -0.096 nan 8.290 nan 0.000 0.488 57 Y N -1.155 119.277 120.300 0.220 0.000 2.605 57 Y HA 0.628 5.180 4.550 0.003 0.000 0.343 57 Y C 0.394 176.426 175.900 0.218 0.000 1.036 57 Y CA -1.199 57.048 58.100 0.245 0.000 1.065 57 Y CB 2.500 41.169 38.460 0.349 0.000 1.288 57 Y HN 0.534 nan 8.280 nan 0.000 0.481 58 V N 1.476 121.635 119.914 0.407 0.000 2.427 58 V HA 0.754 4.876 4.120 0.003 0.000 0.286 58 V C -0.404 176.046 176.094 0.594 0.000 1.034 58 V CA -0.761 61.799 62.300 0.432 0.000 0.893 58 V CB 0.751 32.772 31.823 0.331 0.000 0.982 58 V HN 0.701 nan 8.190 nan 0.000 0.452 59 I N 1.665 122.540 120.570 0.508 0.000 2.846 59 I HA 1.010 5.182 4.170 0.003 0.000 0.307 59 I C -0.612 175.608 176.117 0.172 0.000 1.053 59 I CA -0.797 60.703 61.300 0.334 0.000 1.050 59 I CB 2.245 40.226 38.000 -0.032 0.000 1.239 59 I HN 0.738 nan 8.210 nan 0.000 0.439 60 Q N 2.461 122.112 119.800 -0.249 0.000 2.594 60 Q HA 0.347 4.688 4.340 0.003 0.000 0.278 60 Q C -1.216 174.075 176.000 -1.182 0.000 0.961 60 Q CA -0.410 54.826 55.803 -0.945 0.000 0.844 60 Q CB 2.148 29.556 28.738 -2.218 0.000 1.475 60 Q HN 0.926 nan 8.270 nan 0.000 0.389 61 S N 0.392 114.913 115.700 -1.966 0.000 2.558 61 S HA 0.119 4.591 4.470 0.003 0.000 0.288 61 S C 0.955 175.127 174.600 -0.713 0.000 1.318 61 S CA 0.682 57.789 58.200 -1.822 0.000 1.056 61 S CB 0.216 62.601 63.200 -1.359 0.000 0.853 61 S HN 0.787 nan 8.310 nan 0.000 0.505 62 S N 3.962 119.407 115.700 -0.426 0.000 2.547 62 S HA -0.021 4.451 4.470 0.003 0.000 0.235 62 S C 1.824 176.372 174.600 -0.087 0.000 0.980 62 S CA 0.604 58.784 58.200 -0.034 0.000 0.941 62 S CB -0.552 62.590 63.200 -0.096 0.000 0.763 62 S HN 0.898 nan 8.310 nan 0.000 0.532 63 A N 1.472 124.161 122.820 -0.219 0.000 2.019 63 A HA -0.053 4.269 4.320 0.003 0.000 0.219 63 A C 2.241 179.747 177.584 -0.130 0.000 1.164 63 A CA 1.094 53.036 52.037 -0.158 0.000 0.644 63 A CB -0.372 18.519 19.000 -0.183 0.000 0.805 63 A HN 0.566 nan 8.150 nan 0.000 0.449 64 Q N -0.640 119.054 119.800 -0.177 0.000 2.360 64 Q HA 0.158 4.500 4.340 0.003 0.000 0.202 64 Q C -0.358 175.641 176.000 -0.002 0.000 0.915 64 Q CA 0.336 56.070 55.803 -0.115 0.000 0.943 64 Q CB 0.268 28.882 28.738 -0.208 0.000 1.064 64 Q HN 0.370 nan 8.270 nan 0.000 0.511 65 V N 2.360 122.286 119.914 0.021 0.000 2.313 65 V HA 0.094 4.216 4.120 0.003 0.000 0.278 65 V C 1.152 177.272 176.094 0.042 0.000 1.017 65 V CA 0.049 62.384 62.300 0.057 0.000 0.823 65 V CB 1.380 33.191 31.823 -0.020 0.000 1.010 65 V HN 0.225 nan 8.190 nan 0.000 0.443 66 S N 2.184 117.901 115.700 0.027 0.000 2.446 66 S HA 0.019 4.491 4.470 0.003 0.000 0.225 66 S C 0.505 175.112 174.600 0.011 0.000 1.016 66 S CA 0.596 58.806 58.200 0.017 0.000 0.943 66 S CB 0.060 63.265 63.200 0.008 0.000 0.786 66 S HN 0.743 nan 8.310 nan 0.000 0.508 67 D N 0.259 120.650 120.400 -0.016 0.000 2.542 67 D HA 0.360 5.002 4.640 0.003 0.000 0.252 67 D C -0.226 175.970 176.300 -0.173 0.000 1.222 67 D CA -0.526 53.444 54.000 -0.051 0.000 0.895 67 D CB 1.536 42.314 40.800 -0.038 0.000 1.207 67 D HN -0.222 nan 8.370 nan 0.000 0.558 68 D N 1.265 121.565 120.400 -0.167 0.000 2.133 68 D HA -0.194 4.447 4.640 0.003 0.000 0.195 68 D C 1.946 177.682 176.300 -0.940 0.000 0.997 68 D CA 1.750 55.522 54.000 -0.380 0.000 0.840 68 D CB -0.130 40.636 40.800 -0.056 0.000 0.947 68 D HN 0.520 nan 8.370 nan 0.000 0.452 69 S N 0.204 115.467 115.700 -0.728 0.000 2.442 69 S HA -0.085 4.387 4.470 0.003 0.000 0.236 69 S C 2.057 176.361 174.600 -0.493 0.000 1.007 69 S CA 1.093 58.879 58.200 -0.691 0.000 0.965 69 S CB -0.257 62.873 63.200 -0.117 0.000 0.773 69 S HN 0.261 nan 8.310 nan 0.000 0.504 70 A N 1.517 124.072 122.820 -0.443 0.000 1.968 70 A HA 0.138 4.460 4.320 0.003 0.000 0.217 70 A C 2.347 179.530 177.584 -0.669 0.000 1.169 70 A CA 1.314 53.178 52.037 -0.288 0.000 0.638 70 A CB -0.975 18.020 19.000 -0.009 0.000 0.812 70 A HN 0.478 nan 8.150 nan 0.000 0.446 71 V N 0.930 120.093 119.914 -1.252 0.000 2.332 71 V HA -0.232 3.889 4.120 0.003 0.000 0.248 71 V C 2.672 178.177 176.094 -0.981 0.000 1.055 71 V CA 2.320 63.539 62.300 -1.802 0.000 1.038 71 V CB -0.991 29.735 31.823 -1.828 0.000 0.651 71 V HN 0.784 nan 8.190 nan 0.000 0.450 72 S N -1.401 113.957 115.700 -0.570 0.000 2.575 72 S HA 0.135 4.607 4.470 0.003 0.000 0.215 72 S C 0.625 175.154 174.600 -0.117 0.000 0.966 72 S CA -0.325 57.737 58.200 -0.230 0.000 0.911 72 S CB -0.327 62.859 63.200 -0.023 0.000 0.780 72 S HN 0.596 nan 8.310 nan 0.000 0.514 73 K N 2.914 123.232 120.400 -0.136 0.000 2.312 73 K HA 0.323 4.645 4.320 0.003 0.000 0.287 73 K C -2.813 173.792 176.600 0.008 0.000 1.062 73 K CA -2.023 54.251 56.287 -0.022 0.000 0.934 73 K CB 0.344 32.842 32.500 -0.003 0.000 1.027 73 K HN 0.157 nan 8.250 nan 0.000 0.478 74 P HA -0.106 nan 4.420 nan 0.000 0.265 74 P C 0.750 178.069 177.300 0.031 0.000 1.187 74 P CA 0.850 63.976 63.100 0.042 0.000 0.766 74 P CB 0.555 32.305 31.700 0.084 0.000 0.820 75 G N 1.954 110.763 108.800 0.015 0.000 2.217 75 G HA2 -0.285 3.676 3.960 0.003 0.000 0.246 75 G HA3 -0.285 3.676 3.960 0.003 0.000 0.246 75 G C 0.142 175.026 174.900 -0.026 0.000 0.990 75 G CA -0.355 44.738 45.100 -0.013 0.000 0.627 75 G HN 0.567 nan 8.290 nan 0.000 0.522 76 F N 4.476 124.328 119.950 -0.163 0.000 2.623 76 F HA 0.462 4.991 4.527 0.003 0.000 0.383 76 F C -1.165 174.475 175.800 -0.268 0.000 1.077 76 F CA -0.900 56.965 58.000 -0.224 0.000 1.268 76 F CB 0.577 39.404 39.000 -0.289 0.000 1.053 76 F HN 0.083 nan 8.300 nan 0.000 0.571 77 P HA 0.192 nan 4.420 nan 0.000 0.286 77 P C -0.587 176.225 177.300 -0.812 0.000 1.269 77 P CA -0.425 62.284 63.100 -0.652 0.000 0.787 77 P CB 1.158 32.547 31.700 -0.519 0.000 0.920 78 T N -2.053 112.165 114.554 -0.560 0.000 3.293 78 T HA 0.163 4.515 4.350 0.003 0.000 0.276 78 T C 0.503 175.031 174.700 -0.286 0.000 1.003 78 T CA -0.480 61.153 62.100 -0.779 0.000 0.916 78 T CB -0.610 67.797 68.868 -0.768 0.000 1.134 78 T HN 0.325 nan 8.240 nan 0.000 0.530 79 S N 1.026 116.637 115.700 -0.149 0.000 2.537 79 S HA 0.425 4.897 4.470 0.003 0.000 0.286 79 S C 1.766 176.425 174.600 0.099 0.000 1.299 79 S CA 1.007 59.189 58.200 -0.030 0.000 1.067 79 S CB -0.536 62.625 63.200 -0.065 0.000 0.864 79 S HN 1.437 nan 8.310 nan 0.000 0.494 80 G N 3.781 112.605 108.800 0.038 0.000 2.184 80 G HA2 -0.252 3.709 3.960 0.003 0.000 0.264 80 G HA3 -0.252 3.709 3.960 0.003 0.000 0.264 80 G C -0.086 174.704 174.900 -0.183 0.000 0.975 80 G CA 0.250 45.316 45.100 -0.056 0.000 0.642 80 G HN 0.632 nan 8.290 nan 0.000 0.536 81 W N -0.029 121.088 121.300 -0.305 0.000 2.215 81 W HA 0.692 5.354 4.660 0.003 0.000 0.342 81 W C 0.273 176.606 176.519 -0.310 0.000 1.237 81 W CA -0.766 56.390 57.345 -0.315 0.000 1.283 81 W CB 0.195 29.613 29.460 -0.071 0.000 1.131 81 W HN 0.098 nan 8.180 nan 0.000 0.606 82 Y N 2.999 123.481 120.300 0.304 0.000 2.353 82 Y HA 0.283 4.835 4.550 0.003 0.000 0.340 82 Y C -1.720 174.307 175.900 0.213 0.000 0.972 82 Y CA -3.142 55.082 58.100 0.208 0.000 1.157 82 Y CB 0.029 38.593 38.460 0.173 0.000 1.157 82 Y HN -0.029 nan 8.280 nan 0.000 0.495 83 P HA 0.141 nan 4.420 nan 0.000 0.276 83 P C -0.730 176.709 177.300 0.232 0.000 1.235 83 P CA -0.030 63.215 63.100 0.241 0.000 0.772 83 P CB 1.428 33.230 31.700 0.171 0.000 0.871 84 V N 0.601 120.662 119.914 0.244 0.000 2.876 84 V HA 0.711 4.832 4.120 0.003 0.000 0.312 84 V C 0.130 176.378 176.094 0.257 0.000 1.085 84 V CA -0.972 61.464 62.300 0.227 0.000 0.945 84 V CB 1.606 33.561 31.823 0.220 0.000 1.017 84 V HN 0.630 nan 8.190 nan 0.000 0.428 85 S N 2.564 118.395 115.700 0.219 0.000 2.634 85 S HA 0.479 4.951 4.470 0.003 0.000 0.261 85 S C 0.566 175.351 174.600 0.308 0.000 1.271 85 S CA 0.328 58.663 58.200 0.224 0.000 0.985 85 S CB 1.179 64.486 63.200 0.177 0.000 0.968 85 S HN 1.936 nan 8.310 nan 0.000 0.568 86 S N 0.324 116.204 115.700 0.299 0.000 2.573 86 S HA 0.184 4.656 4.470 0.003 0.000 0.277 86 S C 0.294 175.079 174.600 0.308 0.000 1.346 86 S CA -0.105 58.313 58.200 0.364 0.000 1.034 86 S CB -0.600 62.770 63.200 0.283 0.000 0.879 86 S HN 0.834 nan 8.310 nan 0.000 0.528 87 R N 0.673 121.333 120.500 0.267 0.000 3.322 87 R HA -0.106 4.236 4.340 0.003 0.000 0.266 87 R C -0.838 175.586 176.300 0.208 0.000 1.072 87 R CA 0.667 56.883 56.100 0.192 0.000 0.715 87 R CB -2.567 27.860 30.300 0.212 0.000 1.199 87 R HN 0.448 nan 8.270 nan 0.000 0.421 88 S N 0.418 116.247 115.700 0.214 0.000 2.454 88 S HA 0.366 4.838 4.470 0.003 0.000 0.306 88 S C 0.574 175.295 174.600 0.202 0.000 1.100 88 S CA -0.540 57.794 58.200 0.223 0.000 1.087 88 S CB 1.760 65.122 63.200 0.271 0.000 1.019 88 S HN 0.311 nan 8.310 nan 0.000 0.480 89 T N 0.504 115.149 114.554 0.152 0.000 2.813 89 T HA 0.270 4.622 4.350 0.003 0.000 0.297 89 T C 1.600 176.344 174.700 0.074 0.000 1.036 89 T CA -0.805 61.359 62.100 0.108 0.000 1.044 89 T CB 0.425 69.358 68.868 0.107 0.000 0.993 89 T HN 0.211 nan 8.240 nan 0.000 0.535 90 V N 0.663 120.560 119.914 -0.028 0.000 2.255 90 V HA -0.168 3.953 4.120 0.003 0.000 0.247 90 V C 2.144 178.095 176.094 -0.239 0.000 1.051 90 V CA 1.892 64.052 62.300 -0.234 0.000 1.018 90 V CB -1.253 30.211 31.823 -0.599 0.000 0.641 90 V HN 0.898 nan 8.190 nan 0.000 0.445 91 Y N 1.396 121.439 120.300 -0.429 0.000 2.128 91 Y HA -0.270 4.282 4.550 0.003 0.000 0.284 91 Y C 2.413 178.143 175.900 -0.283 0.000 1.154 91 Y CA 1.354 59.208 58.100 -0.411 0.000 1.149 91 Y CB -0.918 37.211 38.460 -0.552 0.000 0.976 91 Y HN 0.156 nan 8.280 nan 0.000 0.505 92 A N 0.044 122.731 122.820 -0.222 0.000 1.903 92 A HA -0.226 4.096 4.320 0.003 0.000 0.219 92 A C 2.578 180.064 177.584 -0.163 0.000 1.191 92 A CA 2.214 54.139 52.037 -0.186 0.000 0.638 92 A CB -1.737 17.286 19.000 0.039 0.000 0.823 92 A HN 0.593 nan 8.150 nan 0.000 0.451 93 G N -0.570 108.176 108.800 -0.090 0.000 2.418 93 G HA2 -0.134 3.828 3.960 0.003 0.000 0.217 93 G HA3 -0.134 3.828 3.960 0.003 0.000 0.217 93 G C 1.574 176.392 174.900 -0.137 0.000 1.158 93 G CA 1.037 46.108 45.100 -0.049 0.000 0.771 93 G HN 0.444 nan 8.290 nan 0.000 0.545 94 L N -0.113 120.972 121.223 -0.229 0.000 2.027 94 L HA 0.019 4.360 4.340 0.003 0.000 0.206 94 L C 2.893 179.622 176.870 -0.234 0.000 1.074 94 L CA 0.542 55.214 54.840 -0.281 0.000 0.745 94 L CB -0.449 41.543 42.059 -0.112 0.000 0.898 94 L HN 0.170 nan 8.230 nan 0.000 0.433 95 L N -0.503 120.518 121.223 -0.337 0.000 2.079 95 L HA -0.278 4.064 4.340 0.003 0.000 0.210 95 L C 2.659 179.423 176.870 -0.178 0.000 1.081 95 L CA 1.303 55.954 54.840 -0.315 0.000 0.752 95 L CB -0.550 41.199 42.059 -0.517 0.000 0.896 95 L HN 0.376 nan 8.230 nan 0.000 0.433 96 Q N 0.201 119.917 119.800 -0.139 0.000 2.226 96 Q HA -0.166 4.176 4.340 0.003 0.000 0.204 96 Q C 1.490 177.477 176.000 -0.022 0.000 0.975 96 Q CA 1.246 57.017 55.803 -0.054 0.000 0.866 96 Q CB 0.136 28.871 28.738 -0.005 0.000 0.915 96 Q HN 0.539 nan 8.270 nan 0.000 0.440 97 N N -1.038 117.639 118.700 -0.038 0.000 2.270 97 N HA 0.070 4.812 4.740 0.003 0.000 0.198 97 N C 0.177 175.678 175.510 -0.015 0.000 1.117 97 N CA 0.695 53.755 53.050 0.016 0.000 0.845 97 N CB 1.078 39.625 38.487 0.101 0.000 0.980 97 N HN 0.380 nan 8.380 nan 0.000 0.486 98 G N 2.042 110.807 108.800 -0.058 0.000 2.198 98 G HA2 -0.308 3.654 3.960 0.003 0.000 0.260 98 G HA3 -0.308 3.654 3.960 0.003 0.000 0.260 98 G C 0.852 175.694 174.900 -0.096 0.000 1.025 98 G CA 0.369 45.434 45.100 -0.059 0.000 0.769 98 G HN 0.322 nan 8.290 nan 0.000 0.507 99 K N -1.434 118.864 120.400 -0.171 0.000 2.296 99 K HA 0.157 4.479 4.320 0.003 0.000 0.200 99 K C 0.079 176.339 176.600 -0.566 0.000 1.048 99 K CA 0.680 56.756 56.287 -0.351 0.000 0.966 99 K CB 0.067 32.296 32.500 -0.452 0.000 0.754 99 K HN 0.481 nan 8.250 nan 0.000 0.466 100 Y N -0.797 119.482 120.300 -0.034 0.000 2.576 100 Y HA 0.424 4.976 4.550 0.003 0.000 0.346 100 Y C -0.106 175.795 175.900 0.001 0.000 1.018 100 Y CA -1.405 56.703 58.100 0.013 0.000 1.050 100 Y CB 1.411 39.919 38.460 0.080 0.000 1.280 100 Y HN -0.132 nan 8.280 nan 0.000 0.474 101 A N 0.834 123.801 122.820 0.245 0.000 2.425 101 A HA 0.195 4.517 4.320 0.003 0.000 0.242 101 A C -0.260 177.424 177.584 0.166 0.000 1.077 101 A CA -0.302 51.837 52.037 0.169 0.000 0.781 101 A CB -0.070 19.044 19.000 0.189 0.000 1.020 101 A HN 0.724 nan 8.150 nan 0.000 0.494 102 D N 1.277 121.761 120.400 0.141 0.000 2.472 102 D HA 0.123 4.765 4.640 0.003 0.000 0.248 102 D C -1.618 174.861 176.300 0.299 0.000 1.174 102 D CA -1.154 52.936 54.000 0.150 0.000 0.883 102 D CB 0.834 41.725 40.800 0.152 0.000 1.149 102 D HN 0.154 nan 8.370 nan 0.000 0.488 103 P HA 0.033 nan 4.420 nan 0.000 0.245 103 P C 0.994 178.808 177.300 0.856 0.000 1.206 103 P CA 0.093 63.535 63.100 0.570 0.000 0.781 103 P CB 0.077 32.142 31.700 0.609 0.000 0.994 104 F N -1.243 118.988 119.950 0.468 0.000 2.604 104 F HA 0.053 4.581 4.527 0.003 0.000 0.298 104 F C 0.940 176.883 175.800 0.237 0.000 1.131 104 F CA -0.250 57.960 58.000 0.351 0.000 1.457 104 F CB -0.982 38.185 39.000 0.278 0.000 1.095 104 F HN -0.061 nan 8.300 nan 0.000 0.574 105 Y N -0.069 120.448 120.300 0.362 0.000 2.331 105 Y HA 0.452 5.004 4.550 0.003 0.000 0.338 105 Y C 0.850 176.904 175.900 0.257 0.000 0.992 105 Y CA -0.348 57.870 58.100 0.196 0.000 1.121 105 Y CB 0.897 39.452 38.460 0.159 0.000 1.184 105 Y HN 0.040 nan 8.280 nan 0.000 0.469 106 S N 2.793 118.218 115.700 -0.459 0.000 3.762 106 S HA -0.311 4.161 4.470 0.003 0.000 0.627 106 S C 0.858 175.478 174.600 0.033 0.000 2.389 106 S CA 2.113 60.066 58.200 -0.410 0.000 3.978 106 S CB -1.708 60.943 63.200 -0.916 0.000 0.234 106 S HN 1.371 nan 8.310 nan 0.000 0.960 107 T N -0.340 114.131 114.554 -0.138 0.000 3.214 107 T HA 0.384 4.736 4.350 0.003 0.000 0.264 107 T C 1.040 175.648 174.700 -0.153 0.000 1.012 107 T CA 0.461 62.368 62.100 -0.321 0.000 0.901 107 T CB -0.274 68.325 68.868 -0.449 0.000 1.070 107 T HN 0.450 nan 8.240 nan 0.000 0.561 108 N N 2.129 120.861 118.700 0.053 0.000 2.060 108 N HA -0.114 4.628 4.740 0.003 0.000 0.195 108 N C 1.557 177.141 175.510 0.124 0.000 1.028 108 N CA 1.476 54.608 53.050 0.136 0.000 0.861 108 N CB -0.402 38.237 38.487 0.254 0.000 1.029 108 N HN 0.451 nan 8.380 nan 0.000 0.428 109 M N 0.694 120.421 119.600 0.213 0.000 2.435 109 M HA -0.160 4.322 4.480 0.003 0.000 0.262 109 M C 1.672 177.992 176.300 0.033 0.000 1.065 109 M CA 1.244 56.650 55.300 0.177 0.000 1.076 109 M CB 0.061 32.877 32.600 0.359 0.000 1.403 109 M HN 0.189 nan 8.290 nan 0.000 0.454 110 Q N -0.153 119.620 119.800 -0.045 0.000 2.123 110 Q HA -0.099 4.243 4.340 0.003 0.000 0.199 110 Q C 1.155 177.114 176.000 -0.068 0.000 0.966 110 Q CA 1.044 56.789 55.803 -0.096 0.000 0.845 110 Q CB 0.032 28.622 28.738 -0.246 0.000 0.907 110 Q HN 0.584 nan 8.270 nan 0.000 0.439 111 N N 0.110 118.784 118.700 -0.044 0.000 2.609 111 N HA -0.041 4.700 4.740 0.003 0.000 0.190 111 N C -0.272 175.227 175.510 -0.019 0.000 1.157 111 N CA 0.351 53.398 53.050 -0.005 0.000 0.918 111 N CB 0.143 38.657 38.487 0.045 0.000 0.978 111 N HN -0.005 nan 8.380 nan 0.000 0.448 112 V N 3.184 123.031 119.914 -0.113 0.000 2.408 112 V HA 0.172 4.294 4.120 0.003 0.000 0.267 112 V C -2.006 174.000 176.094 -0.147 0.000 1.047 112 V CA -1.552 60.580 62.300 -0.281 0.000 0.937 112 V CB 0.851 32.379 31.823 -0.491 0.000 0.999 112 V HN -0.041 nan 8.190 nan 0.000 0.472 113 P HA 0.176 nan 4.420 nan 0.000 0.265 113 P C 0.524 177.823 177.300 -0.002 0.000 1.222 113 P CA 0.053 63.141 63.100 -0.020 0.000 0.767 113 P CB 1.037 32.743 31.700 0.011 0.000 0.801 114 A N 4.527 127.369 122.820 0.038 0.000 1.930 114 A HA 0.028 4.349 4.320 0.003 0.000 0.215 114 A C 2.103 179.751 177.584 0.107 0.000 1.176 114 A CA 1.392 53.519 52.037 0.150 0.000 0.632 114 A CB -1.209 17.840 19.000 0.082 0.000 0.819 114 A HN 0.483 nan 8.150 nan 0.000 0.445 115 A N 0.864 123.690 122.820 0.010 0.000 1.986 115 A HA -0.277 4.045 4.320 0.003 0.000 0.220 115 A C 2.144 179.692 177.584 -0.059 0.000 1.171 115 A CA 1.846 53.880 52.037 -0.004 0.000 0.640 115 A CB -0.808 18.186 19.000 -0.010 0.000 0.811 115 A HN 0.807 nan 8.150 nan 0.000 0.451 116 Q N -1.555 118.118 119.800 -0.210 0.000 2.297 116 Q HA -0.145 4.197 4.340 0.003 0.000 0.208 116 Q C 0.778 176.654 176.000 -0.206 0.000 0.981 116 Q CA 1.569 57.208 55.803 -0.275 0.000 0.876 116 Q CB -0.563 27.943 28.738 -0.386 0.000 0.921 116 Q HN 0.640 nan 8.270 nan 0.000 0.446 117 F N 0.319 120.372 119.950 0.173 0.000 2.660 117 F HA 0.326 4.854 4.527 0.003 0.000 0.302 117 F C 1.797 177.653 175.800 0.094 0.000 1.103 117 F CA -0.286 57.792 58.000 0.130 0.000 1.340 117 F CB 0.359 39.330 39.000 -0.048 0.000 1.048 117 F HN -0.015 nan 8.300 nan 0.000 0.551 118 S N -0.117 115.684 115.700 0.168 0.000 2.489 118 S HA 0.039 4.510 4.470 0.003 0.000 0.228 118 S C 0.770 175.420 174.600 0.084 0.000 0.995 118 S CA 0.394 58.657 58.200 0.105 0.000 0.934 118 S CB -0.140 63.093 63.200 0.056 0.000 0.771 118 S HN 0.149 nan 8.310 nan 0.000 0.522 119 V N -1.290 118.681 119.914 0.096 0.000 2.919 119 V HA 0.681 4.803 4.120 0.003 0.000 0.316 119 V C -3.045 173.071 176.094 0.037 0.000 1.077 119 V CA -3.057 59.250 62.300 0.012 0.000 0.977 119 V CB 1.027 32.821 31.823 -0.047 0.000 1.039 119 V HN -0.171 nan 8.190 nan 0.000 0.441 120 P HA 0.191 nan 4.420 nan 0.000 0.270 120 P C -1.448 175.813 177.300 -0.064 0.000 1.227 120 P CA 0.290 63.238 63.100 -0.252 0.000 0.788 120 P CB 0.254 31.474 31.700 -0.801 0.000 0.926 121 W N 0.526 121.703 121.300 -0.205 0.000 2.736 121 W HA 0.411 5.073 4.660 0.003 0.000 0.335 121 W C -1.013 175.469 176.519 -0.062 0.000 1.059 121 W CA 0.271 57.572 57.345 -0.074 0.000 1.226 121 W CB 0.925 30.442 29.460 0.095 0.000 1.416 121 W HN 0.378 nan 8.180 nan 0.000 0.505 122 W N 2.724 124.141 121.300 0.195 0.000 2.351 122 W HA 0.404 5.065 4.660 0.003 0.000 0.311 122 W C -0.791 175.970 176.519 0.403 0.000 1.168 122 W CA -0.546 56.973 57.345 0.291 0.000 1.200 122 W CB 0.576 30.175 29.460 0.233 0.000 1.221 122 W HN 0.125 nan 8.180 nan 0.000 0.519 123 Y N 3.420 124.063 120.300 0.573 0.000 2.356 123 Y HA 0.423 4.975 4.550 0.003 0.000 0.334 123 Y C 0.374 176.646 175.900 0.620 0.000 0.958 123 Y CA -1.000 57.374 58.100 0.458 0.000 1.196 123 Y CB 1.100 39.572 38.460 0.020 0.000 1.137 123 Y HN 0.219 nan 8.280 nan 0.000 0.485 124 R N 1.993 122.921 120.500 0.713 0.000 2.670 124 R HA 0.671 5.013 4.340 0.003 0.000 0.289 124 R C -1.350 175.183 176.300 0.389 0.000 0.965 124 R CA -0.426 55.955 56.100 0.468 0.000 0.899 124 R CB 2.088 32.502 30.300 0.190 0.000 1.173 124 R HN 0.648 nan 8.270 nan 0.000 0.456 125 T N 1.820 116.516 114.554 0.237 0.000 2.982 125 T HA 0.230 4.582 4.350 0.003 0.000 0.321 125 T C -1.411 173.313 174.700 0.041 0.000 1.229 125 T CA -0.782 61.374 62.100 0.094 0.000 1.044 125 T CB 1.246 70.099 68.868 -0.025 0.000 1.184 125 T HN 0.512 nan 8.240 nan 0.000 0.477 126 D N 2.050 122.458 120.400 0.013 0.000 2.344 126 D HA 0.519 5.161 4.640 0.003 0.000 0.244 126 D C -0.527 175.778 176.300 0.008 0.000 1.134 126 D CA -0.113 53.891 54.000 0.008 0.000 0.930 126 D CB 1.332 42.135 40.800 0.005 0.000 1.175 126 D HN 0.318 nan 8.370 nan 0.000 0.437 127 L N 1.705 122.934 121.223 0.010 0.000 2.516 127 L HA 0.234 4.575 4.340 0.003 0.000 0.267 127 L C -0.833 176.045 176.870 0.014 0.000 0.957 127 L CA -0.360 54.487 54.840 0.012 0.000 0.860 127 L CB 1.581 43.646 42.059 0.009 0.000 1.265 127 L HN 0.255 nan 8.230 nan 0.000 0.403 128 N N 3.826 122.540 118.700 0.022 0.000 2.437 128 N HA 0.526 5.267 4.740 0.003 0.000 0.259 128 N C -1.534 173.994 175.510 0.030 0.000 0.983 128 N CA -0.333 52.735 53.050 0.029 0.000 0.937 128 N CB 1.408 39.912 38.487 0.030 0.000 1.122 128 N HN 0.361 nan 8.380 nan 0.000 0.499 129 V N 3.664 123.597 119.914 0.032 0.000 2.378 129 V HA 0.143 4.265 4.120 0.003 0.000 0.288 129 V C 0.223 176.342 176.094 0.042 0.000 1.016 129 V CA -0.641 61.679 62.300 0.032 0.000 0.840 129 V CB 1.528 33.361 31.823 0.016 0.000 0.994 129 V HN 0.658 nan 8.190 nan 0.000 0.431 130 D N 2.149 122.572 120.400 0.039 0.000 2.183 130 D HA 0.014 4.656 4.640 0.003 0.000 0.203 130 D C 0.464 176.787 176.300 0.038 0.000 0.969 130 D CA 1.351 55.374 54.000 0.038 0.000 0.842 130 D CB 0.276 41.096 40.800 0.034 0.000 0.957 130 D HN 0.656 nan 8.370 nan 0.000 0.484 131 D N -1.515 118.908 120.400 0.038 0.000 2.591 131 D HA 0.045 4.687 4.640 0.003 0.000 0.222 131 D C -0.066 176.254 176.300 0.034 0.000 1.360 131 D CA -0.288 53.734 54.000 0.036 0.000 0.967 131 D CB 0.991 41.812 40.800 0.034 0.000 1.456 131 D HN -0.143 nan 8.370 nan 0.000 0.588 132 T N 0.070 114.643 114.554 0.033 0.000 3.439 132 T HA 0.060 4.412 4.350 0.003 0.000 0.251 132 T C 1.523 176.237 174.700 0.023 0.000 1.108 132 T CA 0.198 62.313 62.100 0.025 0.000 0.982 132 T CB 0.156 69.040 68.868 0.027 0.000 1.024 132 T HN 0.124 nan 8.240 nan 0.000 0.573 133 S N 1.478 117.195 115.700 0.029 0.000 2.338 133 S HA 0.021 4.493 4.470 0.003 0.000 0.218 133 S C 1.176 175.797 174.600 0.035 0.000 1.032 133 S CA 0.449 58.667 58.200 0.030 0.000 0.999 133 S CB -0.289 62.931 63.200 0.032 0.000 0.905 133 S HN 0.697 nan 8.310 nan 0.000 0.439 134 S N 2.008 117.734 115.700 0.044 0.000 2.576 134 S HA 0.318 4.790 4.470 0.003 0.000 0.276 134 S C 0.241 174.871 174.600 0.049 0.000 1.339 134 S CA -0.516 57.719 58.200 0.060 0.000 1.039 134 S CB 0.649 63.893 63.200 0.074 0.000 0.902 134 S HN 0.378 nan 8.310 nan 0.000 0.516 135 R N 0.789 121.327 120.500 0.063 0.000 2.822 135 R HA 0.417 4.758 4.340 0.003 0.000 0.277 135 R C -0.276 176.008 176.300 -0.026 0.000 1.102 135 R CA -0.101 55.991 56.100 -0.014 0.000 1.207 135 R CB 0.159 30.446 30.300 -0.021 0.000 1.139 135 R HN 0.507 nan 8.270 nan 0.000 0.557 136 T N 0.724 115.131 114.554 -0.244 0.000 2.916 136 T HA 0.490 4.842 4.350 0.003 0.000 0.298 136 T C -1.450 173.033 174.700 -0.360 0.000 1.031 136 T CA -0.677 61.342 62.100 -0.135 0.000 0.993 136 T CB 0.849 69.686 68.868 -0.053 0.000 1.045 136 T HN 0.383 nan 8.240 nan 0.000 0.454 137 Y N 0.978 121.326 120.300 0.080 0.000 2.534 137 Y HA 0.615 5.167 4.550 0.003 0.000 0.345 137 Y C -0.608 175.383 175.900 0.152 0.000 1.031 137 Y CA -1.394 56.769 58.100 0.106 0.000 1.022 137 Y CB 1.585 40.103 38.460 0.097 0.000 1.292 137 Y HN 0.374 nan 8.280 nan 0.000 0.459 138 L N 2.969 124.415 121.223 0.371 0.000 2.280 138 L HA 0.420 4.761 4.340 0.003 0.000 0.287 138 L C -0.950 176.215 176.870 0.491 0.000 1.023 138 L CA -0.424 54.678 54.840 0.438 0.000 0.819 138 L CB 0.975 43.331 42.059 0.495 0.000 1.212 138 L HN 0.564 nan 8.230 nan 0.000 0.420 139 D N 4.651 125.296 120.400 0.408 0.000 2.381 139 D HA 0.563 5.204 4.640 0.003 0.000 0.235 139 D C -0.976 175.539 176.300 0.358 0.000 1.068 139 D CA -0.029 54.132 54.000 0.268 0.000 0.832 139 D CB 1.046 41.937 40.800 0.151 0.000 1.101 139 D HN 0.248 nan 8.370 nan 0.000 0.515 140 F N 0.491 120.537 119.950 0.161 0.000 2.741 140 F HA 0.728 5.257 4.527 0.003 0.000 0.313 140 F C -1.040 174.836 175.800 0.127 0.000 1.153 140 F CA -0.934 57.142 58.000 0.126 0.000 0.931 140 F CB 0.862 39.929 39.000 0.111 0.000 1.335 140 F HN 0.190 nan 8.300 nan 0.000 0.460 141 S N -1.263 114.607 115.700 0.284 0.000 2.727 141 S HA 0.712 5.184 4.470 0.003 0.000 0.278 141 S C 0.003 174.713 174.600 0.183 0.000 1.186 141 S CA -0.494 57.825 58.200 0.199 0.000 0.836 141 S CB 0.843 64.095 63.200 0.088 0.000 1.186 141 S HN 2.628 nan 8.310 nan 0.000 0.499 142 G N -0.470 108.378 108.800 0.080 0.000 2.171 142 G HA2 -0.137 3.825 3.960 0.003 0.000 0.238 142 G HA3 -0.137 3.825 3.960 0.003 0.000 0.238 142 G C -0.244 174.605 174.900 -0.084 0.000 1.039 142 G CA -0.145 44.937 45.100 -0.030 0.000 0.759 142 G HN 1.341 nan 8.290 nan 0.000 0.501 143 V N 2.058 121.943 119.914 -0.049 0.000 2.385 143 V HA 0.496 4.618 4.120 0.003 0.000 0.269 143 V C 0.875 176.900 176.094 -0.116 0.000 1.043 143 V CA -0.378 61.845 62.300 -0.129 0.000 0.906 143 V CB 1.140 32.919 31.823 -0.074 0.000 0.995 143 V HN 0.385 nan 8.190 nan 0.000 0.467 144 L N 4.535 125.676 121.223 -0.136 0.000 2.287 144 L HA 0.492 4.834 4.340 0.003 0.000 0.287 144 L C 1.009 177.844 176.870 -0.057 0.000 1.022 144 L CA -0.254 54.524 54.840 -0.104 0.000 0.814 144 L CB 1.404 43.398 42.059 -0.107 0.000 1.217 144 L HN 0.703 nan 8.230 nan 0.000 0.420 145 S N 1.681 117.368 115.700 -0.022 0.000 2.497 145 S HA 0.147 4.619 4.470 0.003 0.000 0.218 145 S C 0.327 174.888 174.600 -0.065 0.000 1.023 145 S CA -0.170 57.995 58.200 -0.059 0.000 0.913 145 S CB 0.186 63.351 63.200 -0.058 0.000 0.800 145 S HN 0.804 nan 8.310 nan 0.000 0.505 146 K N -0.550 119.835 120.400 -0.026 0.000 2.660 146 K HA 0.736 5.058 4.320 0.003 0.000 0.285 146 K C -1.738 174.881 176.600 0.033 0.000 0.997 146 K CA -0.920 55.330 56.287 -0.060 0.000 0.861 146 K CB 1.010 33.405 32.500 -0.175 0.000 1.469 146 K HN 0.174 nan 8.250 nan 0.000 0.395 147 A N 1.195 124.033 122.820 0.029 0.000 2.556 147 A HA 0.592 4.914 4.320 0.003 0.000 0.294 147 A C -1.706 175.968 177.584 0.150 0.000 1.091 147 A CA -0.837 51.309 52.037 0.182 0.000 0.704 147 A CB 1.469 20.609 19.000 0.234 0.000 1.300 147 A HN 0.691 nan 8.150 nan 0.000 0.406 148 D N 0.887 121.442 120.400 0.258 0.000 2.210 148 D HA 0.473 5.115 4.640 0.003 0.000 0.249 148 D C -0.596 175.846 176.300 0.238 0.000 1.078 148 D CA 0.121 54.245 54.000 0.208 0.000 0.875 148 D CB 1.825 42.842 40.800 0.362 0.000 1.175 148 D HN 0.183 nan 8.370 nan 0.000 0.440 149 V N 2.612 122.551 119.914 0.041 0.000 2.384 149 V HA 0.356 4.478 4.120 0.003 0.000 0.287 149 V C -0.706 175.300 176.094 -0.146 0.000 1.020 149 V CA -0.828 61.417 62.300 -0.091 0.000 0.850 149 V CB 0.838 32.621 31.823 -0.067 0.000 0.987 149 V HN 0.425 nan 8.190 nan 0.000 0.436 150 W N 3.099 124.320 121.300 -0.133 0.000 2.632 150 W HA 0.772 5.434 4.660 0.003 0.000 0.328 150 W C -0.716 175.733 176.519 -0.117 0.000 1.044 150 W CA -0.722 56.589 57.345 -0.056 0.000 1.225 150 W CB 2.060 31.541 29.460 0.036 0.000 1.396 150 W HN 0.287 nan 8.180 nan 0.000 0.499 151 V N 4.328 124.316 119.914 0.123 0.000 2.525 151 V HA 0.241 4.362 4.120 0.003 0.000 0.299 151 V C -0.091 176.038 176.094 0.060 0.000 1.034 151 V CA -1.214 61.110 62.300 0.040 0.000 0.863 151 V CB 1.591 33.403 31.823 -0.019 0.000 0.999 151 V HN 0.732 nan 8.190 nan 0.000 0.423 152 N N 3.764 122.487 118.700 0.038 0.000 2.708 152 N HA -0.222 4.519 4.740 0.003 0.000 0.251 152 N C 1.112 176.682 175.510 0.100 0.000 1.123 152 N CA 1.837 54.917 53.050 0.050 0.000 0.739 152 N CB -1.016 37.480 38.487 0.016 0.000 1.113 152 N HN 1.600 nan 8.380 nan 0.000 0.561 153 G N -2.819 106.070 108.800 0.149 0.000 2.176 153 G HA2 -0.261 3.700 3.960 0.003 0.000 0.232 153 G HA3 -0.261 3.700 3.960 0.003 0.000 0.232 153 G C 0.051 175.171 174.900 0.367 0.000 0.986 153 G CA 0.441 45.667 45.100 0.210 0.000 0.643 153 G HN 0.477 nan 8.290 nan 0.000 0.522 154 T N 1.091 115.804 114.554 0.264 0.000 2.771 154 T HA 0.484 4.836 4.350 0.003 0.000 0.281 154 T C 0.159 174.770 174.700 -0.147 0.000 0.982 154 T CA -0.441 61.713 62.100 0.090 0.000 0.978 154 T CB 1.896 70.770 68.868 0.010 0.000 0.930 154 T HN 0.326 nan 8.240 nan 0.000 0.447 155 K N 3.501 123.485 120.400 -0.693 0.000 2.237 155 K HA 0.131 4.452 4.320 0.003 0.000 0.283 155 K C 1.252 177.531 176.600 -0.536 0.000 1.080 155 K CA -0.218 55.347 56.287 -1.204 0.000 0.965 155 K CB -0.032 31.559 32.500 -1.514 0.000 1.098 155 K HN 0.549 nan 8.250 nan 0.000 0.434 156 V N 1.086 120.782 119.914 -0.364 0.000 3.541 156 V HA 0.339 4.461 4.120 0.003 0.000 0.267 156 V C 0.252 176.265 176.094 -0.136 0.000 1.213 156 V CA 0.563 62.753 62.300 -0.183 0.000 1.149 156 V CB -0.334 31.432 31.823 -0.094 0.000 0.822 156 V HN 0.599 nan 8.190 nan 0.000 0.462 157 A N 0.188 122.900 122.820 -0.180 0.000 2.582 157 A HA 0.658 4.980 4.320 0.003 0.000 0.297 157 A C -0.214 177.296 177.584 -0.124 0.000 1.059 157 A CA 0.122 52.098 52.037 -0.101 0.000 0.705 157 A CB 0.948 19.944 19.000 -0.006 0.000 1.279 157 A HN 0.703 nan 8.150 nan 0.000 0.404 158 T N -1.077 113.417 114.554 -0.100 0.000 2.912 158 T HA 0.470 4.822 4.350 0.003 0.000 0.280 158 T C 0.968 175.605 174.700 -0.105 0.000 0.989 158 T CA 0.092 62.135 62.100 -0.095 0.000 0.995 158 T CB 1.091 69.904 68.868 -0.092 0.000 1.077 158 T HN 0.895 nan 8.240 nan 0.000 0.531 159 K N 0.367 120.669 120.400 -0.163 0.000 2.360 159 K HA -0.077 4.245 4.320 0.003 0.000 0.201 159 K C 0.918 177.384 176.600 -0.224 0.000 1.046 159 K CA 1.381 57.500 56.287 -0.281 0.000 0.945 159 K CB -0.149 31.951 32.500 -0.666 0.000 0.750 159 K HN 0.500 nan 8.250 nan 0.000 0.464 160 D N 0.922 121.224 120.400 -0.164 0.000 2.249 160 D HA -0.119 4.523 4.640 0.003 0.000 0.205 160 D C 1.809 178.056 176.300 -0.089 0.000 0.962 160 D CA 0.836 54.761 54.000 -0.125 0.000 0.860 160 D CB 0.083 40.823 40.800 -0.100 0.000 0.955 160 D HN 0.413 nan 8.370 nan 0.000 0.505 161 Q N 0.435 120.188 119.800 -0.077 0.000 2.302 161 Q HA 0.021 4.362 4.340 0.003 0.000 0.202 161 Q C -0.020 175.955 176.000 -0.041 0.000 0.936 161 Q CA 0.490 56.272 55.803 -0.035 0.000 0.886 161 Q CB 0.834 29.556 28.738 -0.025 0.000 0.986 161 Q HN -0.026 nan 8.270 nan 0.000 0.487 162 V N 2.899 122.721 119.914 -0.153 0.000 2.220 162 V HA 0.304 4.426 4.120 0.003 0.000 0.265 162 V C -0.723 175.286 176.094 -0.141 0.000 1.078 162 V CA -0.647 61.446 62.300 -0.346 0.000 0.872 162 V CB 0.674 32.311 31.823 -0.310 0.000 1.121 162 V HN 0.165 nan 8.190 nan 0.000 0.460 163 N N 2.916 121.596 118.700 -0.034 0.000 2.454 163 N HA 0.661 5.403 4.740 0.003 0.000 0.291 163 N C -0.393 175.091 175.510 -0.043 0.000 1.079 163 N CA 0.582 53.590 53.050 -0.070 0.000 0.893 163 N CB 2.216 40.631 38.487 -0.119 0.000 1.512 163 N HN 0.811 nan 8.380 nan 0.000 0.497 164 G N 1.611 110.365 108.800 -0.077 0.000 3.233 164 G HA2 0.181 4.143 3.960 0.003 0.000 0.686 164 G HA3 0.181 4.143 3.960 0.003 0.000 0.686 164 G C 0.640 175.520 174.900 -0.032 0.000 1.153 164 G CA -0.120 44.928 45.100 -0.086 0.000 0.853 164 G HN 0.783 nan 8.290 nan 0.000 0.582 165 A N 1.849 124.596 122.820 -0.122 0.000 1.940 165 A HA 0.055 4.376 4.320 0.003 0.000 0.219 165 A C 1.746 179.199 177.584 -0.220 0.000 1.176 165 A CA 2.362 54.253 52.037 -0.243 0.000 0.631 165 A CB -0.318 18.400 19.000 -0.470 0.000 0.814 165 A HN 1.142 nan 8.150 nan 0.000 0.446 166 Y N 0.759 121.139 120.300 0.132 0.000 2.466 166 Y HA 0.082 4.634 4.550 0.003 0.000 0.272 166 Y C 1.095 177.045 175.900 0.082 0.000 1.169 166 Y CA 0.329 58.514 58.100 0.141 0.000 1.285 166 Y CB -0.046 38.568 38.460 0.256 0.000 1.078 166 Y HN 0.274 nan 8.280 nan 0.000 0.523 167 T N -0.202 114.444 114.554 0.154 0.000 2.814 167 T HA 0.191 4.543 4.350 0.003 0.000 0.297 167 T C -0.038 174.545 174.700 -0.196 0.000 0.956 167 T CA -0.839 61.256 62.100 -0.009 0.000 1.123 167 T CB 1.421 70.279 68.868 -0.016 0.000 0.902 167 T HN 0.200 nan 8.240 nan 0.000 0.528 168 R N 2.281 122.600 120.500 -0.302 0.000 2.490 168 R HA 0.255 4.597 4.340 0.003 0.000 0.278 168 R C -0.500 175.313 176.300 -0.811 0.000 1.069 168 R CA -0.564 55.320 56.100 -0.361 0.000 1.080 168 R CB 0.428 30.637 30.300 -0.152 0.000 1.030 168 R HN 0.781 nan 8.270 nan 0.000 0.491 169 H N 1.836 120.640 119.070 -0.443 0.000 2.679 169 H HA 0.172 4.730 4.556 0.003 0.000 0.360 169 H C -1.219 173.895 175.328 -0.356 0.000 1.105 169 H CA -0.762 54.999 56.048 -0.478 0.000 1.196 169 H CB 2.257 31.567 29.762 -0.753 0.000 1.636 169 H HN 0.549 nan 8.280 nan 0.000 0.531 170 D N 3.774 124.153 120.400 -0.035 0.000 2.443 170 D HA 0.205 4.847 4.640 0.003 0.000 0.281 170 D C -0.768 175.633 176.300 0.169 0.000 1.210 170 D CA -0.374 53.663 54.000 0.061 0.000 0.875 170 D CB 0.078 40.885 40.800 0.012 0.000 1.125 170 D HN 0.365 nan 8.370 nan 0.000 0.503 171 L N 1.740 123.103 121.223 0.234 0.000 2.260 171 L HA 0.346 4.688 4.340 0.003 0.000 0.289 171 L C 0.437 177.440 176.870 0.221 0.000 1.057 171 L CA -0.838 54.134 54.840 0.219 0.000 0.811 171 L CB 1.065 43.260 42.059 0.228 0.000 1.184 171 L HN 0.135 nan 8.230 nan 0.000 0.429 172 D N 4.589 125.075 120.400 0.142 0.000 2.359 172 D HA 0.120 4.762 4.640 0.003 0.000 0.250 172 D C 0.785 177.002 176.300 -0.137 0.000 1.264 172 D CA -0.067 53.861 54.000 -0.122 0.000 0.911 172 D CB 0.734 41.493 40.800 -0.068 0.000 1.056 172 D HN 0.515 nan 8.370 nan 0.000 0.499 173 I N 0.269 120.736 120.570 -0.171 0.000 3.904 173 I HA 0.118 4.290 4.170 0.003 0.000 0.333 173 I C 1.284 177.324 176.117 -0.129 0.000 1.361 173 I CA -0.461 60.778 61.300 -0.102 0.000 1.116 173 I CB 0.139 38.113 38.000 -0.043 0.000 1.028 173 I HN -0.009 nan 8.210 nan 0.000 0.398 174 T N 1.916 116.352 114.554 -0.197 0.000 2.685 174 T HA -0.257 4.094 4.350 0.003 0.000 0.268 174 T C 2.081 176.730 174.700 -0.086 0.000 1.034 174 T CA 2.183 64.190 62.100 -0.155 0.000 1.149 174 T CB -0.213 68.544 68.868 -0.185 0.000 0.860 174 T HN 0.658 nan 8.240 nan 0.000 0.449 175 A N 0.570 123.347 122.820 -0.072 0.000 2.067 175 A HA -0.080 4.242 4.320 0.003 0.000 0.219 175 A C 2.201 179.769 177.584 -0.026 0.000 1.158 175 A CA 1.270 53.284 52.037 -0.039 0.000 0.661 175 A CB -0.375 18.605 19.000 -0.033 0.000 0.801 175 A HN 0.427 nan 8.150 nan 0.000 0.452 176 Q N -1.230 118.545 119.800 -0.042 0.000 2.376 176 Q HA 0.230 4.572 4.340 0.003 0.000 0.206 176 Q C 0.107 176.064 176.000 -0.073 0.000 0.921 176 Q CA 0.254 56.035 55.803 -0.035 0.000 0.911 176 Q CB 0.405 29.118 28.738 -0.041 0.000 1.032 176 Q HN 0.332 nan 8.270 nan 0.000 0.510 177 V N 3.081 122.938 119.914 -0.095 0.000 2.461 177 V HA 0.156 4.277 4.120 0.003 0.000 0.275 177 V C -0.030 176.008 176.094 -0.093 0.000 1.047 177 V CA -0.466 61.736 62.300 -0.163 0.000 0.955 177 V CB 0.467 32.221 31.823 -0.114 0.000 0.988 177 V HN 0.381 nan 8.190 nan 0.000 0.471 178 H N 1.928 121.000 119.070 0.003 0.000 2.737 178 H HA 0.709 5.266 4.556 0.003 0.000 0.358 178 H C 0.156 175.488 175.328 0.008 0.000 1.187 178 H CA -0.548 55.503 56.048 0.004 0.000 1.221 178 H CB 1.536 31.300 29.762 0.004 0.000 1.799 178 H HN 0.623 nan 8.280 nan 0.000 0.568 179 T N -0.184 114.494 114.554 0.207 0.000 2.906 179 T HA 0.411 4.763 4.350 0.003 0.000 0.320 179 T C 1.115 175.932 174.700 0.196 0.000 1.088 179 T CA 1.260 63.442 62.100 0.137 0.000 1.120 179 T CB -0.516 nan 68.868 nan 0.000 1.000 179 T HN 1.129 nan 8.240 nan 0.000 0.550 180 G N -0.023 108.850 108.800 0.123 0.000 2.568 180 G HA2 0.028 3.990 3.960 0.003 0.000 0.222 180 G HA3 0.028 3.990 3.960 0.003 0.000 0.222 180 G C -0.086 174.886 174.900 0.121 0.000 1.321 180 G CA -0.247 44.919 45.100 0.111 0.000 0.893 180 G HN 1.505 nan 8.290 nan 0.000 0.569 181 V N 2.666 122.646 119.914 0.111 0.000 2.529 181 V HA 0.301 4.423 4.120 0.003 0.000 0.292 181 V C 0.775 176.948 176.094 0.130 0.000 1.028 181 V CA 0.230 62.584 62.300 0.090 0.000 1.074 181 V CB 0.610 32.471 31.823 0.063 0.000 0.958 181 V HN 0.649 nan 8.190 nan 0.000 0.481 182 N N 2.687 121.405 118.700 0.030 0.000 2.381 182 N HA 0.611 5.353 4.740 0.003 0.000 0.294 182 N C -1.059 174.440 175.510 -0.019 0.000 1.216 182 N CA -0.634 52.384 53.050 -0.053 0.000 0.803 182 N CB 2.264 40.646 38.487 -0.174 0.000 1.372 182 N HN 0.581 nan 8.380 nan 0.000 0.500 183 S N 0.495 116.178 115.700 -0.028 0.000 2.547 183 S HA 0.501 4.972 4.470 0.003 0.000 0.281 183 S C -0.641 173.952 174.600 -0.012 0.000 1.118 183 S CA -0.644 57.547 58.200 -0.014 0.000 0.947 183 S CB 2.066 65.249 63.200 -0.029 0.000 1.053 183 S HN 0.241 nan 8.310 nan 0.000 0.482 184 V N 1.642 121.565 119.914 0.015 0.000 2.715 184 V HA 0.958 5.080 4.120 0.003 0.000 0.310 184 V C -0.313 175.812 176.094 0.051 0.000 1.054 184 V CA -0.604 61.698 62.300 0.004 0.000 0.928 184 V CB 1.731 33.564 31.823 0.017 0.000 1.007 184 V HN 1.047 nan 8.190 nan 0.000 0.437 185 A N 3.486 126.317 122.820 0.018 0.000 2.459 185 A HA 0.849 5.170 4.320 0.003 0.000 0.296 185 A C -1.468 176.251 177.584 0.225 0.000 1.039 185 A CA -0.353 51.817 52.037 0.222 0.000 0.698 185 A CB 1.032 20.119 19.000 0.145 0.000 1.261 185 A HN 0.575 nan 8.150 nan 0.000 0.405 186 F N 1.744 121.982 119.950 0.479 0.000 2.388 186 F HA 0.417 4.946 4.527 0.003 0.000 0.358 186 F C 0.781 176.639 175.800 0.097 0.000 1.122 186 F CA -0.260 57.902 58.000 0.270 0.000 1.056 186 F CB 2.038 41.068 39.000 0.049 0.000 1.155 186 F HN 0.554 nan 8.300 nan 0.000 0.461 187 K N 4.286 124.610 120.400 -0.127 0.000 2.220 187 K HA 0.370 4.692 4.320 0.003 0.000 0.283 187 K C -1.052 175.455 176.600 -0.155 0.000 1.098 187 K CA -0.216 55.596 56.287 -0.792 0.000 0.928 187 K CB 0.299 32.163 32.500 -1.060 0.000 1.214 187 K HN 0.452 nan 8.250 nan 0.000 0.442 188 V N 5.890 125.758 119.914 -0.077 0.000 2.385 188 V HA 0.158 4.280 4.120 0.003 0.000 0.269 188 V C -0.238 175.896 176.094 0.066 0.000 1.043 188 V CA -0.768 61.579 62.300 0.079 0.000 0.906 188 V CB -0.110 31.736 31.823 0.038 0.000 0.995 188 V HN 0.528 nan 8.190 nan 0.000 0.467 189 Y N 6.139 126.424 120.300 -0.024 0.000 2.309 189 Y HA 0.291 4.843 4.550 0.003 0.000 0.327 189 Y C -1.570 174.340 175.900 0.017 0.000 1.172 189 Y CA -2.301 55.797 58.100 -0.004 0.000 1.280 189 Y CB 0.737 39.181 38.460 -0.026 0.000 1.234 189 Y HN 0.455 nan 8.280 nan 0.000 0.512 190 P HA -0.188 nan 4.420 nan 0.000 0.266 190 P C -0.845 176.499 177.300 0.073 0.000 1.180 190 P CA 0.436 63.602 63.100 0.112 0.000 0.765 190 P CB 0.545 32.310 31.700 0.109 0.000 0.806 191 N N 1.609 120.328 118.700 0.031 0.000 2.399 191 N HA 0.294 5.036 4.740 0.003 0.000 0.295 191 N C -1.409 174.094 175.510 -0.011 0.000 1.048 191 N CA -0.331 52.714 53.050 -0.007 0.000 0.886 191 N CB 0.608 39.077 38.487 -0.030 0.000 1.185 191 N HN 0.193 nan 8.380 nan 0.000 0.487 192 D N 3.794 124.175 120.400 -0.031 0.000 2.358 192 D HA 0.331 4.973 4.640 0.003 0.000 0.253 192 D C -2.103 174.161 176.300 -0.059 0.000 1.288 192 D CA -1.964 52.017 54.000 -0.033 0.000 0.950 192 D CB 1.748 42.533 40.800 -0.025 0.000 1.197 192 D HN 0.331 nan 8.370 nan 0.000 0.550 193 P HA -0.073 nan 4.420 nan 0.000 0.225 193 P C 0.516 177.782 177.300 -0.058 0.000 1.148 193 P CA 0.830 63.889 63.100 -0.067 0.000 0.779 193 P CB 0.381 32.038 31.700 -0.071 0.000 0.780 194 N N -0.471 118.202 118.700 -0.046 0.000 2.354 194 N HA -0.052 4.690 4.740 0.003 0.000 0.179 194 N C 2.092 177.561 175.510 -0.069 0.000 1.021 194 N CA 0.313 53.340 53.050 -0.038 0.000 0.887 194 N CB -0.174 38.300 38.487 -0.021 0.000 0.974 194 N HN 0.095 nan 8.380 nan 0.000 0.437 195 R N 0.525 120.970 120.500 -0.091 0.000 2.123 195 R HA 0.073 4.415 4.340 0.003 0.000 0.209 195 R C -0.611 175.569 176.300 -0.199 0.000 1.078 195 R CA 0.615 56.643 56.100 -0.119 0.000 1.028 195 R CB 0.453 30.702 30.300 -0.085 0.000 0.939 195 R HN 0.095 nan 8.270 nan 0.000 0.463 196 D N 1.034 121.313 120.400 -0.201 0.000 2.181 196 D HA 0.176 4.818 4.640 0.003 0.000 0.248 196 D C -0.574 175.505 176.300 -0.368 0.000 1.020 196 D CA -0.393 53.448 54.000 -0.265 0.000 0.891 196 D CB 2.019 42.711 40.800 -0.180 0.000 1.187 196 D HN 0.097 nan 8.370 nan 0.000 0.443 197 L N 1.931 122.840 121.223 -0.524 0.000 2.404 197 L HA 0.164 4.506 4.340 0.003 0.000 0.277 197 L C 0.796 177.498 176.870 -0.280 0.000 1.184 197 L CA 0.310 54.664 54.840 -0.810 0.000 1.013 197 L CB -0.088 41.273 42.059 -1.162 0.000 1.318 197 L HN 0.215 nan 8.230 nan 0.000 0.435 198 S N 1.810 117.537 115.700 0.045 0.000 3.939 198 S HA 0.644 5.116 4.470 0.003 0.000 0.302 198 S C -0.888 173.762 174.600 0.084 0.000 1.108 198 S CA -0.614 57.603 58.200 0.027 0.000 1.225 198 S CB 1.076 64.211 63.200 -0.110 0.000 1.467 198 S HN 0.390 nan 8.310 nan 0.000 0.735 199 M N 1.312 120.806 119.600 -0.177 0.000 2.321 199 M HA 0.601 5.082 4.480 0.003 0.000 0.315 199 M C -0.055 175.973 176.300 -0.453 0.000 1.052 199 M CA -0.563 54.472 55.300 -0.441 0.000 0.936 199 M CB 1.838 34.051 32.600 -0.646 0.000 1.639 199 M HN 0.677 nan 8.290 nan 0.000 0.433 200 G N 0.768 109.245 108.800 -0.538 0.000 2.685 200 G HA2 0.620 4.582 3.960 0.003 0.000 0.298 200 G HA3 0.620 4.582 3.960 0.003 0.000 0.298 200 G C -1.464 173.059 174.900 -0.628 0.000 1.277 200 G CA -0.489 44.362 45.100 -0.415 0.000 0.986 200 G HN 0.943 nan 8.290 nan 0.000 0.487 201 W N 0.578 121.773 121.300 -0.175 0.000 2.966 201 W HA 0.379 5.040 4.660 0.003 0.000 0.406 201 W C 1.239 177.503 176.519 -0.425 0.000 1.027 201 W CA -0.479 56.689 57.345 -0.295 0.000 1.930 201 W CB -0.494 28.849 29.460 -0.195 0.000 1.144 201 W HN 0.506 nan 8.180 nan 0.000 0.626 202 I N 1.098 121.548 120.570 -0.199 0.000 4.905 202 I HA -0.507 3.665 4.170 0.003 0.000 0.038 202 I C 1.372 177.529 176.117 0.066 0.000 0.635 202 I CA 2.249 63.483 61.300 -0.109 0.000 0.220 202 I CB -0.756 37.116 38.000 -0.214 0.000 0.327 202 I HN 0.098 nan 8.210 nan 0.000 0.151 203 D N -1.485 119.059 120.400 0.241 0.000 2.673 203 D HA 0.101 4.743 4.640 0.003 0.000 0.278 203 D C 0.712 177.381 176.300 0.616 0.000 1.393 203 D CA -0.360 53.890 54.000 0.417 0.000 0.805 203 D CB -0.423 40.711 40.800 0.556 0.000 1.110 203 D HN 0.534 nan 8.370 nan 0.000 0.476 204 W N 1.722 123.247 121.300 0.375 0.000 2.467 204 W HA 0.518 5.180 4.660 0.003 0.000 0.275 204 W C 1.128 177.708 176.519 0.102 0.000 1.239 204 W CA 0.478 58.013 57.345 0.317 0.000 1.266 204 W CB -0.556 29.050 29.460 0.243 0.000 1.112 204 W HN 0.282 nan 8.180 nan 0.000 0.576 205 A N -1.314 121.578 122.820 0.121 0.000 4.616 205 A HA 0.520 4.842 4.320 0.003 0.000 0.148 205 A C -0.515 176.817 177.584 -0.421 0.000 0.866 205 A CA -0.435 51.456 52.037 -0.244 0.000 1.392 205 A CB 0.414 18.917 19.000 -0.828 0.000 2.279 205 A HN -0.169 nan 8.150 nan 0.000 1.006 206 Q N 0.320 119.604 119.800 -0.861 0.000 2.359 206 Q HA 0.519 4.861 4.340 0.003 0.000 0.275 206 Q C -1.148 174.520 176.000 -0.553 0.000 1.082 206 Q CA -0.465 54.935 55.803 -0.672 0.000 0.849 206 Q CB 1.460 29.670 28.738 -0.880 0.000 1.377 206 Q HN 0.621 nan 8.270 nan 0.000 0.452 207 T N 3.649 118.020 114.554 -0.304 0.000 2.799 207 T HA 0.244 4.595 4.350 0.003 0.000 0.296 207 T C -2.265 172.300 174.700 -0.225 0.000 0.947 207 T CA -0.830 61.152 62.100 -0.197 0.000 1.141 207 T CB 0.146 68.962 68.868 -0.087 0.000 0.891 207 T HN 0.189 nan 8.240 nan 0.000 0.533 208 P HA 0.152 nan 4.420 nan 0.000 0.268 208 P C -1.921 175.209 177.300 -0.285 0.000 1.204 208 P CA -1.404 61.599 63.100 -0.161 0.000 0.768 208 P CB 0.221 31.925 31.700 0.007 0.000 0.842 209 P HA -0.158 nan 4.420 nan 0.000 0.220 209 P C 0.757 177.690 177.300 -0.612 0.000 1.148 209 P CA 1.448 64.239 63.100 -0.516 0.000 0.803 209 P CB -0.073 31.197 31.700 -0.716 0.000 0.782 210 D N -1.439 118.394 120.400 -0.945 0.000 2.339 210 D HA -0.026 4.616 4.640 0.003 0.000 0.217 210 D C 0.758 176.825 176.300 -0.390 0.000 1.050 210 D CA -0.040 53.297 54.000 -1.105 0.000 0.856 210 D CB -0.699 39.289 40.800 -1.353 0.000 0.922 210 D HN -0.008 nan 8.370 nan 0.000 0.518 211 Q N 0.158 119.820 119.800 -0.229 0.000 2.480 211 Q HA -0.281 4.061 4.340 0.003 0.000 0.265 211 Q C -0.421 175.569 176.000 -0.017 0.000 1.072 211 Q CA 0.963 56.728 55.803 -0.063 0.000 1.018 211 Q CB -1.734 26.980 28.738 -0.039 0.000 1.433 211 Q HN 0.349 nan 8.270 nan 0.000 0.513 212 N N -2.291 116.399 118.700 -0.018 0.000 2.909 212 N HA -0.225 4.516 4.740 0.003 0.000 0.242 212 N C 0.147 175.644 175.510 -0.022 0.000 0.975 212 N CA 1.592 54.668 53.050 0.044 0.000 0.921 212 N CB -1.934 36.635 38.487 0.136 0.000 1.112 212 N HN 0.771 nan 8.380 nan 0.000 0.581 213 M N -0.572 118.986 119.600 -0.069 0.000 2.245 213 M HA 0.380 4.862 4.480 0.003 0.000 0.335 213 M C 1.017 177.290 176.300 -0.044 0.000 1.155 213 M CA 1.281 56.550 55.300 -0.051 0.000 1.055 213 M CB 0.552 33.140 32.600 -0.021 0.000 1.670 213 M HN 0.255 nan 8.290 nan 0.000 0.447 214 G N 2.914 111.664 108.800 -0.082 0.000 2.320 214 G HA2 0.240 4.202 3.960 0.003 0.000 0.274 214 G HA3 0.240 4.202 3.960 0.003 0.000 0.274 214 G C -1.540 173.102 174.900 -0.430 0.000 1.324 214 G CA -0.937 44.040 45.100 -0.204 0.000 0.957 214 G HN 0.905 nan 8.290 nan 0.000 0.481 215 I N 1.774 121.987 120.570 -0.595 0.000 2.437 215 I HA 0.343 4.514 4.170 0.003 0.000 0.279 215 I C 1.157 177.142 176.117 -0.219 0.000 1.028 215 I CA -0.805 60.187 61.300 -0.513 0.000 1.142 215 I CB 1.647 39.145 38.000 -0.837 0.000 1.266 215 I HN 0.659 nan 8.210 nan 0.000 0.461 216 V N 2.157 122.000 119.914 -0.119 0.000 3.514 216 V HA 0.411 4.533 4.120 0.003 0.000 0.301 216 V C 0.667 176.757 176.094 -0.007 0.000 1.346 216 V CA 0.252 62.543 62.300 -0.016 0.000 1.156 216 V CB -0.624 31.202 31.823 0.006 0.000 1.029 216 V HN 0.733 nan 8.190 nan 0.000 0.428 217 R N -0.425 120.062 120.500 -0.021 0.000 2.869 217 R HA 0.497 4.839 4.340 0.003 0.000 0.263 217 R C -1.136 175.192 176.300 0.047 0.000 1.066 217 R CA -0.940 55.157 56.100 -0.006 0.000 0.960 217 R CB 1.014 31.319 30.300 0.007 0.000 1.221 217 R HN 0.192 nan 8.270 nan 0.000 0.474 218 D N 0.613 121.058 120.400 0.076 0.000 2.382 218 D HA 0.134 4.776 4.640 0.003 0.000 0.240 218 D C -0.585 175.823 176.300 0.180 0.000 1.146 218 D CA 0.196 54.280 54.000 0.139 0.000 0.897 218 D CB 1.192 42.072 40.800 0.132 0.000 1.197 218 D HN 0.000 nan 8.370 nan 0.000 0.432 219 V N 3.143 123.189 119.914 0.220 0.000 2.313 219 V HA 0.201 4.323 4.120 0.003 0.000 0.278 219 V C 0.345 176.597 176.094 0.263 0.000 1.017 219 V CA -0.652 61.812 62.300 0.274 0.000 0.823 219 V CB 0.734 32.702 31.823 0.242 0.000 1.010 219 V HN 0.282 nan 8.190 nan 0.000 0.443 220 L N 5.014 126.396 121.223 0.265 0.000 2.380 220 L HA 0.386 4.728 4.340 0.003 0.000 0.273 220 L C -0.042 176.967 176.870 0.231 0.000 1.138 220 L CA -0.302 54.665 54.840 0.212 0.000 0.832 220 L CB 1.200 43.365 42.059 0.177 0.000 1.124 220 L HN 0.316 nan 8.230 nan 0.000 0.454 221 V N 4.651 124.677 119.914 0.187 0.000 2.364 221 V HA 0.332 4.454 4.120 0.003 0.000 0.272 221 V C 0.274 176.471 176.094 0.171 0.000 1.036 221 V CA -0.504 61.905 62.300 0.181 0.000 0.880 221 V CB 0.915 32.821 31.823 0.138 0.000 0.991 221 V HN 0.686 nan 8.190 nan 0.000 0.460 222 R N 5.234 125.863 120.500 0.214 0.000 2.407 222 R HA 0.687 5.028 4.340 0.003 0.000 0.303 222 R C -0.781 175.671 176.300 0.254 0.000 0.981 222 R CA -0.952 55.269 56.100 0.201 0.000 0.905 222 R CB 1.723 32.114 30.300 0.153 0.000 1.099 222 R HN 0.453 nan 8.270 nan 0.000 0.459 223 R N 1.492 122.103 120.500 0.185 0.000 2.409 223 R HA 0.338 4.680 4.340 0.003 0.000 0.313 223 R C -0.644 175.754 176.300 0.163 0.000 0.953 223 R CA -0.535 55.672 56.100 0.179 0.000 0.849 223 R CB 1.755 32.124 30.300 0.116 0.000 1.171 223 R HN 0.906 nan 8.270 nan 0.000 0.458 224 S N -0.332 115.499 115.700 0.218 0.000 2.704 224 S HA 0.758 5.230 4.470 0.003 0.000 0.296 224 S C 0.468 175.159 174.600 0.151 0.000 1.138 224 S CA -0.537 57.758 58.200 0.157 0.000 0.875 224 S CB 2.105 65.375 63.200 0.116 0.000 1.151 224 S HN 0.495 nan 8.310 nan 0.000 0.500 225 G N 0.387 109.251 108.800 0.107 0.000 2.679 225 G HA2 0.457 4.419 3.960 0.003 0.000 0.202 225 G HA3 0.457 4.419 3.960 0.003 0.000 0.202 225 G C 1.201 176.162 174.900 0.102 0.000 1.566 225 G CA -0.111 45.042 45.100 0.089 0.000 1.074 225 G HN 1.234 nan 8.290 nan 0.000 0.564 226 A N -1.704 121.162 122.820 0.077 0.000 2.015 226 A HA 0.334 4.656 4.320 0.003 0.000 0.219 226 A C 0.885 178.519 177.584 0.084 0.000 1.163 226 A CA 0.936 53.018 52.037 0.075 0.000 0.646 226 A CB -0.272 18.759 19.000 0.052 0.000 0.806 226 A HN 0.367 nan 8.150 nan 0.000 0.448 227 V N 0.076 120.033 119.914 0.072 0.000 2.459 227 V HA 0.609 4.731 4.120 0.003 0.000 0.295 227 V C 0.174 176.294 176.094 0.044 0.000 1.029 227 V CA -0.464 61.869 62.300 0.056 0.000 0.874 227 V CB 1.193 33.040 31.823 0.040 0.000 0.985 227 V HN 0.453 nan 8.190 nan 0.000 0.438 228 A N 5.091 127.918 122.820 0.012 0.000 2.290 228 A HA 0.783 5.104 4.320 0.003 0.000 0.310 228 A C -0.878 176.677 177.584 -0.049 0.000 1.202 228 A CA -0.446 51.546 52.037 -0.075 0.000 0.837 228 A CB 0.889 19.749 19.000 -0.233 0.000 1.139 228 A HN 0.765 nan 8.150 nan 0.000 0.509 229 L N 3.727 124.925 121.223 -0.042 0.000 2.265 229 L HA 0.605 4.947 4.340 0.003 0.000 0.289 229 L C -0.300 176.560 176.870 -0.017 0.000 1.033 229 L CA 0.010 54.846 54.840 -0.007 0.000 0.814 229 L CB 0.507 42.577 42.059 0.019 0.000 1.203 229 L HN 0.701 nan 8.230 nan 0.000 0.423 230 R N 2.935 123.436 120.500 0.001 0.000 2.807 230 R HA 0.446 4.788 4.340 0.003 0.000 0.276 230 R C 0.260 176.584 176.300 0.040 0.000 0.979 230 R CA -0.558 55.544 56.100 0.003 0.000 0.928 230 R CB 1.527 31.820 30.300 -0.012 0.000 1.191 230 R HN 0.623 nan 8.270 nan 0.000 0.471 231 S N -0.205 115.513 115.700 0.029 0.000 3.635 231 S HA -0.215 4.257 4.470 0.003 0.000 0.328 231 S C -0.065 174.614 174.600 0.132 0.000 1.135 231 S CA 0.680 58.892 58.200 0.020 0.000 0.942 231 S CB -0.882 62.326 63.200 0.013 0.000 0.930 231 S HN 0.828 nan 8.310 nan 0.000 0.512 232 A N 2.237 125.132 122.820 0.126 0.000 2.524 232 A HA 0.501 4.822 4.320 0.003 0.000 0.250 232 A C 0.331 178.031 177.584 0.195 0.000 1.078 232 A CA 0.848 52.977 52.037 0.153 0.000 0.761 232 A CB 0.058 19.096 19.000 0.063 0.000 1.012 232 A HN 0.994 nan 8.150 nan 0.000 0.500 233 H N -1.010 118.009 119.070 -0.085 0.000 2.948 233 H HA 0.633 5.191 4.556 0.003 0.000 0.315 233 H C -2.058 173.135 175.328 -0.226 0.000 1.360 233 H CA -1.340 54.624 56.048 -0.139 0.000 1.125 233 H CB 0.779 30.474 29.762 -0.113 0.000 1.844 233 H HN 0.481 nan 8.280 nan 0.000 0.529 234 V N 2.370 122.072 119.914 -0.354 0.000 2.419 234 V HA 0.254 4.376 4.120 0.003 0.000 0.287 234 V C 0.556 176.414 176.094 -0.393 0.000 1.017 234 V CA -0.641 61.314 62.300 -0.575 0.000 0.844 234 V CB 1.082 32.200 31.823 -1.175 0.000 1.011 234 V HN 0.563 nan 8.190 nan 0.000 0.429 235 I N 5.562 125.940 120.570 -0.319 0.000 2.517 235 I HA 0.256 4.428 4.170 0.003 0.000 0.285 235 I C 0.139 176.138 176.117 -0.197 0.000 1.106 235 I CA 0.070 61.253 61.300 -0.194 0.000 1.402 235 I CB 0.960 38.874 38.000 -0.143 0.000 1.399 235 I HN 0.780 nan 8.210 nan 0.000 0.535 236 Q N 5.950 125.666 119.800 -0.139 0.000 2.337 236 Q HA 0.659 5.001 4.340 0.003 0.000 0.270 236 Q C -0.998 174.961 176.000 -0.069 0.000 1.043 236 Q CA -1.114 54.629 55.803 -0.099 0.000 0.794 236 Q CB 2.280 31.001 28.738 -0.028 0.000 1.281 236 Q HN 0.379 nan 8.270 nan 0.000 0.446 237 K N 2.233 122.595 120.400 -0.063 0.000 2.507 237 K HA 0.569 4.891 4.320 0.003 0.000 0.252 237 K C -1.896 174.685 176.600 -0.033 0.000 0.943 237 K CA -0.731 55.530 56.287 -0.042 0.000 0.808 237 K CB 1.367 33.848 32.500 -0.031 0.000 1.142 237 K HN 0.719 nan 8.250 nan 0.000 0.426 238 L N 4.411 125.620 121.223 -0.022 0.000 2.325 238 L HA 0.502 4.843 4.340 0.003 0.000 0.279 238 L C -0.548 176.334 176.870 0.020 0.000 1.054 238 L CA -0.215 54.620 54.840 -0.009 0.000 0.804 238 L CB 1.051 43.098 42.059 -0.019 0.000 1.200 238 L HN 0.895 nan 8.230 nan 0.000 0.436 239 N N 1.633 120.366 118.700 0.054 0.000 2.530 239 N HA 0.036 4.778 4.740 0.003 0.000 0.277 239 N C 0.627 176.168 175.510 0.052 0.000 1.168 239 N CA 0.304 53.393 53.050 0.065 0.000 0.979 239 N CB 0.951 39.499 38.487 0.101 0.000 1.141 239 N HN 0.681 nan 8.380 nan 0.000 0.459 240 S N 1.448 117.175 115.700 0.045 0.000 2.402 240 S HA -0.213 4.259 4.470 0.003 0.000 0.233 240 S C 1.838 176.474 174.600 0.061 0.000 1.030 240 S CA 1.109 59.336 58.200 0.046 0.000 1.003 240 S CB -0.742 62.483 63.200 0.041 0.000 0.813 240 S HN 0.809 nan 8.310 nan 0.000 0.477 241 A N 1.409 124.268 122.820 0.065 0.000 2.067 241 A HA 0.271 4.593 4.320 0.003 0.000 0.219 241 A C 1.377 179.018 177.584 0.095 0.000 1.158 241 A CA 1.136 53.219 52.037 0.076 0.000 0.661 241 A CB -0.756 18.285 19.000 0.068 0.000 0.801 241 A HN 0.711 nan 8.150 nan 0.000 0.452 242 L N -1.845 119.430 121.223 0.087 0.000 4.406 242 L HA -0.210 4.132 4.340 0.003 0.000 0.406 242 L C 0.107 177.040 176.870 0.105 0.000 1.133 242 L CA 0.632 55.525 54.840 0.089 0.000 0.974 242 L CB -2.126 40.005 42.059 0.121 0.000 2.152 242 L HN 0.691 nan 8.230 nan 0.000 0.736 243 D N -1.642 118.824 120.400 0.110 0.000 2.535 243 D HA 0.257 4.898 4.640 0.003 0.000 0.229 243 D C 0.233 176.631 176.300 0.162 0.000 1.238 243 D CA 0.059 54.130 54.000 0.118 0.000 0.824 243 D CB 0.179 41.041 40.800 0.103 0.000 1.045 243 D HN 0.567 nan 8.370 nan 0.000 0.500 244 H N -0.210 118.879 119.070 0.031 0.000 3.086 244 H HA 0.634 5.191 4.556 0.003 0.000 0.353 244 H C -1.924 173.409 175.328 0.008 0.000 1.134 244 H CA -0.481 55.577 56.048 0.017 0.000 1.248 244 H CB 1.794 31.564 29.762 0.012 0.000 1.878 244 H HN 0.090 nan 8.280 nan 0.000 0.527 245 A N 4.329 126.806 122.820 -0.572 0.000 2.359 245 A HA 0.440 4.762 4.320 0.003 0.000 0.303 245 A C -1.164 176.089 177.584 -0.551 0.000 1.066 245 A CA -0.852 50.959 52.037 -0.377 0.000 0.730 245 A CB 1.071 19.953 19.000 -0.196 0.000 1.211 245 A HN 0.724 nan 8.150 nan 0.000 0.439 246 D N 1.912 122.150 120.400 -0.271 0.000 2.177 246 D HA 0.523 5.165 4.640 0.003 0.000 0.247 246 D C -0.747 175.478 176.300 -0.124 0.000 1.063 246 D CA 0.222 54.138 54.000 -0.140 0.000 0.867 246 D CB 1.815 42.650 40.800 0.058 0.000 1.168 246 D HN 0.423 nan 8.370 nan 0.000 0.445 247 L N 1.638 122.785 121.223 -0.128 0.000 2.376 247 L HA 0.313 4.654 4.340 0.003 0.000 0.275 247 L C -0.182 176.596 176.870 -0.153 0.000 0.987 247 L CA -0.614 54.129 54.840 -0.162 0.000 0.828 247 L CB 2.067 44.006 42.059 -0.200 0.000 1.249 247 L HN 0.165 nan 8.230 nan 0.000 0.409 248 T N 2.113 116.565 114.554 -0.170 0.000 2.756 248 T HA 0.425 4.776 4.350 0.003 0.000 0.290 248 T C -0.058 174.509 174.700 -0.221 0.000 0.985 248 T CA -0.492 61.523 62.100 -0.143 0.000 0.955 248 T CB 1.761 70.569 68.868 -0.101 0.000 0.930 248 T HN 0.139 nan 8.240 nan 0.000 0.451 249 V N 4.864 124.676 119.914 -0.170 0.000 2.406 249 V HA 0.367 4.489 4.120 0.003 0.000 0.272 249 V C 0.179 176.263 176.094 -0.017 0.000 1.043 249 V CA -0.532 61.632 62.300 -0.227 0.000 0.915 249 V CB 0.697 32.276 31.823 -0.408 0.000 0.988 249 V HN 0.741 nan 8.190 nan 0.000 0.466 250 K N 3.740 123.994 120.400 -0.242 0.000 2.345 250 K HA 0.872 5.194 4.320 0.003 0.000 0.255 250 K C -0.599 176.001 176.600 -0.000 0.000 0.934 250 K CA -0.418 55.801 56.287 -0.114 0.000 0.801 250 K CB 2.472 34.840 32.500 -0.219 0.000 1.137 250 K HN 0.774 nan 8.250 nan 0.000 0.424 251 A N 2.313 125.224 122.820 0.152 0.000 2.556 251 A HA 0.544 4.866 4.320 0.003 0.000 0.294 251 A C -1.582 176.078 177.584 0.127 0.000 1.091 251 A CA -0.865 51.274 52.037 0.169 0.000 0.704 251 A CB 1.267 20.367 19.000 0.168 0.000 1.300 251 A HN 0.613 nan 8.150 nan 0.000 0.406 252 D N 0.823 121.287 120.400 0.106 0.000 2.168 252 D HA 0.512 5.154 4.640 0.003 0.000 0.246 252 D C -0.409 175.917 176.300 0.044 0.000 1.050 252 D CA 0.140 54.181 54.000 0.068 0.000 0.857 252 D CB 1.811 42.649 40.800 0.063 0.000 1.169 252 D HN 0.610 nan 8.370 nan 0.000 0.453 253 V N 0.187 120.118 119.914 0.028 0.000 2.487 253 V HA 0.611 4.733 4.120 0.003 0.000 0.298 253 V C -0.236 175.866 176.094 0.014 0.000 1.028 253 V CA -0.999 61.312 62.300 0.019 0.000 0.860 253 V CB 1.913 33.747 31.823 0.019 0.000 0.991 253 V HN 0.378 nan 8.190 nan 0.000 0.427 254 R N 3.314 123.821 120.500 0.011 0.000 2.393 254 R HA 0.435 4.776 4.340 0.003 0.000 0.315 254 R C -0.639 175.682 176.300 0.036 0.000 0.952 254 R CA -0.546 55.566 56.100 0.019 0.000 0.842 254 R CB 1.257 31.566 30.300 0.015 0.000 1.163 254 R HN 0.897 nan 8.270 nan 0.000 0.450 255 N N 2.989 121.711 118.700 0.037 0.000 2.439 255 N HA 0.022 4.763 4.740 0.003 0.000 0.243 255 N C -0.566 174.980 175.510 0.060 0.000 1.088 255 N CA 0.015 53.093 53.050 0.045 0.000 0.940 255 N CB 1.013 39.518 38.487 0.031 0.000 1.180 255 N HN 0.526 nan 8.380 nan 0.000 0.505 256 D N 0.264 120.718 120.400 0.090 0.000 2.339 256 D HA -0.019 4.623 4.640 0.003 0.000 0.217 256 D C 0.561 176.902 176.300 0.069 0.000 1.050 256 D CA 0.217 54.280 54.000 0.105 0.000 0.856 256 D CB 0.223 41.145 40.800 0.202 0.000 0.922 256 D HN 0.611 nan 8.370 nan 0.000 0.518 257 S N -0.425 115.309 115.700 0.056 0.000 2.641 257 S HA 0.442 4.914 4.470 0.003 0.000 0.261 257 S C 1.328 175.944 174.600 0.027 0.000 1.257 257 S CA -0.075 58.148 58.200 0.038 0.000 0.983 257 S CB 1.867 65.089 63.200 0.036 0.000 0.990 257 S HN -0.013 nan 8.310 nan 0.000 0.572 258 A N 0.652 123.484 122.820 0.020 0.000 2.132 258 A HA 0.260 4.582 4.320 0.003 0.000 0.213 258 A C 0.597 178.190 177.584 0.014 0.000 1.154 258 A CA 0.015 52.061 52.037 0.015 0.000 0.753 258 A CB -0.903 18.104 19.000 0.011 0.000 0.826 258 A HN 0.854 nan 8.150 nan 0.000 0.469 259 N N -0.713 117.996 118.700 0.016 0.000 2.430 259 N HA 0.566 5.307 4.740 0.003 0.000 0.298 259 N C -0.301 175.217 175.510 0.015 0.000 1.130 259 N CA -0.107 52.951 53.050 0.014 0.000 0.894 259 N CB 1.330 39.825 38.487 0.013 0.000 1.209 259 N HN 0.252 nan 8.380 nan 0.000 0.503 260 A N 0.697 123.523 122.820 0.011 0.000 2.445 260 A HA 0.456 4.778 4.320 0.003 0.000 0.242 260 A C 0.082 177.673 177.584 0.011 0.000 1.075 260 A CA -0.223 51.821 52.037 0.010 0.000 0.777 260 A CB -0.152 18.852 19.000 0.007 0.000 1.013 260 A HN 0.530 nan 8.150 nan 0.000 0.493 261 V N -0.081 119.840 119.914 0.012 0.000 3.078 261 V HA 0.617 4.739 4.120 0.003 0.000 0.311 261 V C -0.638 175.461 176.094 0.008 0.000 1.138 261 V CA -0.915 61.393 62.300 0.012 0.000 1.007 261 V CB 1.671 33.505 31.823 0.018 0.000 1.045 261 V HN 0.897 nan 8.190 nan 0.000 0.432 262 Q N 0.907 120.712 119.800 0.008 0.000 2.256 262 Q HA 0.633 4.974 4.340 0.003 0.000 0.257 262 Q C -0.869 175.136 176.000 0.008 0.000 0.936 262 Q CA -0.261 55.545 55.803 0.004 0.000 0.903 262 Q CB 1.950 30.690 28.738 0.003 0.000 1.263 262 Q HN 0.999 nan 8.270 nan 0.000 0.440 263 T N 1.220 115.777 114.554 0.005 0.000 2.916 263 T HA 0.385 4.736 4.350 0.003 0.000 0.298 263 T C -1.054 173.651 174.700 0.008 0.000 1.031 263 T CA -0.361 61.745 62.100 0.012 0.000 0.993 263 T CB 1.394 70.272 68.868 0.017 0.000 1.045 263 T HN 0.411 nan 8.240 nan 0.000 0.454 264 T N 3.964 118.530 114.554 0.021 0.000 2.743 264 T HA 0.459 4.811 4.350 0.003 0.000 0.292 264 T C -0.234 174.500 174.700 0.057 0.000 0.972 264 T CA -0.383 61.735 62.100 0.030 0.000 0.967 264 T CB 0.705 69.594 68.868 0.034 0.000 0.926 264 T HN 0.463 nan 8.240 nan 0.000 0.459 265 V N 3.643 123.605 119.914 0.080 0.000 2.348 265 V HA 0.744 4.865 4.120 0.003 0.000 0.270 265 V C 0.264 176.517 176.094 0.266 0.000 1.037 265 V CA -0.469 61.930 62.300 0.164 0.000 0.872 265 V CB 0.374 32.319 31.823 0.204 0.000 1.002 265 V HN 1.056 nan 8.190 nan 0.000 0.464 266 A N 3.781 126.702 122.820 0.169 0.000 2.539 266 A HA 1.046 5.368 4.320 0.003 0.000 0.296 266 A C 0.081 177.692 177.584 0.046 0.000 1.073 266 A CA 0.091 52.206 52.037 0.129 0.000 0.700 266 A CB 2.179 21.240 19.000 0.102 0.000 1.296 266 A HN 1.333 nan 8.150 nan 0.000 0.405 267 G N -0.536 108.263 108.800 -0.001 0.000 2.566 267 G HA2 0.629 4.591 3.960 0.003 0.000 0.138 267 G HA3 0.629 4.591 3.960 0.003 0.000 0.138 267 G C -0.395 174.474 174.900 -0.051 0.000 1.133 267 G CA 0.754 45.841 45.100 -0.022 0.000 1.037 267 G HN 2.006 nan 8.290 nan 0.000 0.491 268 T N -2.567 111.954 114.554 -0.055 0.000 2.906 268 T HA 0.729 5.081 4.350 0.003 0.000 0.295 268 T C -1.368 173.295 174.700 -0.063 0.000 1.061 268 T CA -0.538 61.531 62.100 -0.051 0.000 1.000 268 T CB 2.025 70.892 68.868 -0.001 0.000 1.103 268 T HN 1.675 nan 8.240 nan 0.000 0.486 269 V N 2.148 122.023 119.914 -0.064 0.000 2.483 269 V HA 0.632 4.754 4.120 0.003 0.000 0.297 269 V C 0.608 176.738 176.094 0.059 0.000 1.027 269 V CA 0.313 62.613 62.300 -0.001 0.000 0.855 269 V CB 0.394 32.135 31.823 -0.138 0.000 0.995 269 V HN 2.141 nan 8.190 nan 0.000 0.424 270 A N 4.794 127.719 122.820 0.175 0.000 2.832 270 A HA 0.003 4.324 4.320 0.003 0.000 0.280 270 A C 1.862 179.517 177.584 0.118 0.000 1.464 270 A CA 1.647 53.770 52.037 0.144 0.000 0.804 270 A CB -1.830 17.017 19.000 -0.256 0.000 1.020 270 A HN 2.879 nan 8.150 nan 0.000 0.563 271 G N -2.244 106.613 108.800 0.095 0.000 2.179 271 G HA2 -0.268 3.693 3.960 0.003 0.000 0.260 271 G HA3 -0.268 3.693 3.960 0.003 0.000 0.260 271 G C 0.042 174.958 174.900 0.028 0.000 0.977 271 G CA 0.963 46.099 45.100 0.060 0.000 0.641 271 G HN 1.134 nan 8.290 nan 0.000 0.533 272 K N 1.761 122.166 120.400 0.008 0.000 2.213 272 K HA 0.443 4.765 4.320 0.003 0.000 0.270 272 K C -2.432 174.153 176.600 -0.025 0.000 1.002 272 K CA -1.873 54.407 56.287 -0.011 0.000 0.868 272 K CB 2.175 34.659 32.500 -0.027 0.000 1.093 272 K HN 0.071 nan 8.250 nan 0.000 0.454 273 P HA 0.133 nan 4.420 nan 0.000 0.276 273 P C -0.670 176.622 177.300 -0.014 0.000 1.235 273 P CA -0.098 62.997 63.100 -0.009 0.000 0.772 273 P CB 0.361 32.067 31.700 0.010 0.000 0.871 274 I N -1.307 119.245 120.570 -0.030 0.000 2.865 274 I HA 0.801 4.972 4.170 0.003 0.000 0.302 274 I C -0.870 175.329 176.117 0.136 0.000 1.140 274 I CA -0.974 60.327 61.300 0.001 0.000 1.021 274 I CB 2.571 40.425 38.000 -0.243 0.000 1.233 274 I HN 0.222 nan 8.210 nan 0.000 0.427 275 S N 2.592 118.507 115.700 0.359 0.000 2.563 275 S HA 0.501 4.972 4.470 0.003 0.000 0.279 275 S C -1.647 173.086 174.600 0.221 0.000 1.155 275 S CA -0.497 57.897 58.200 0.323 0.000 0.928 275 S CB 1.617 64.902 63.200 0.142 0.000 1.107 275 S HN 0.734 nan 8.310 nan 0.000 0.462 276 Q N 1.785 121.626 119.800 0.068 0.000 2.379 276 Q HA 0.500 4.842 4.340 0.003 0.000 0.278 276 Q C -1.354 174.592 176.000 -0.091 0.000 1.068 276 Q CA -0.718 54.989 55.803 -0.160 0.000 0.816 276 Q CB 2.428 30.838 28.738 -0.547 0.000 1.387 276 Q HN 0.666 nan 8.270 nan 0.000 0.413 277 T N 1.131 115.635 114.554 -0.083 0.000 2.841 277 T HA 0.673 5.024 4.350 0.003 0.000 0.283 277 T C -0.309 174.352 174.700 -0.065 0.000 1.000 277 T CA -0.541 61.528 62.100 -0.052 0.000 0.977 277 T CB 1.365 70.218 68.868 -0.024 0.000 0.979 277 T HN 0.452 nan 8.240 nan 0.000 0.446 278 V N 0.143 120.026 119.914 -0.051 0.000 3.130 278 V HA 0.901 5.023 4.120 0.003 0.000 0.310 278 V C -0.556 175.522 176.094 -0.026 0.000 1.158 278 V CA -0.945 61.327 62.300 -0.047 0.000 1.029 278 V CB 2.220 34.008 31.823 -0.059 0.000 1.057 278 V HN 0.748 nan 8.190 nan 0.000 0.436 279 S N 2.010 117.697 115.700 -0.021 0.000 2.475 279 S HA 0.840 5.312 4.470 0.003 0.000 0.298 279 S C -0.659 173.936 174.600 -0.009 0.000 1.119 279 S CA -0.528 57.666 58.200 -0.012 0.000 1.085 279 S CB 1.059 64.253 63.200 -0.010 0.000 1.028 279 S HN 0.672 nan 8.310 nan 0.000 0.489 280 L N 2.448 123.670 121.223 -0.002 0.000 2.381 280 L HA 0.652 4.994 4.340 0.003 0.000 0.274 280 L C 0.473 177.345 176.870 0.005 0.000 0.988 280 L CA -0.838 54.003 54.840 0.001 0.000 0.824 280 L CB 1.601 43.663 42.059 0.006 0.000 1.263 280 L HN 0.750 nan 8.230 nan 0.000 0.410 281 A N 2.372 125.193 122.820 0.003 0.000 2.387 281 A HA 0.602 4.924 4.320 0.003 0.000 0.251 281 A C 0.588 178.177 177.584 0.010 0.000 1.113 281 A CA 0.194 52.234 52.037 0.005 0.000 0.794 281 A CB 0.212 19.213 19.000 0.002 0.000 1.069 281 A HN 0.831 nan 8.150 nan 0.000 0.506 282 A N 0.268 123.094 122.820 0.011 0.000 2.540 282 A HA 0.432 4.754 4.320 0.003 0.000 0.239 282 A C 0.994 178.587 177.584 0.015 0.000 1.061 282 A CA 0.509 52.554 52.037 0.014 0.000 0.758 282 A CB -0.200 18.807 19.000 0.012 0.000 0.991 282 A HN 1.033 nan 8.150 nan 0.000 0.502 283 K N -0.231 120.183 120.400 0.022 0.000 3.349 283 K HA -0.188 4.134 4.320 0.003 0.000 0.310 283 K C 0.110 176.721 176.600 0.018 0.000 1.267 283 K CA 1.651 57.952 56.287 0.024 0.000 0.920 283 K CB -1.487 31.024 32.500 0.018 0.000 1.240 283 K HN 0.966 nan 8.250 nan 0.000 0.453 284 E N 1.179 121.388 120.200 0.015 0.000 2.283 284 E HA 0.246 4.598 4.350 0.003 0.000 0.278 284 E C -0.353 176.253 176.600 0.010 0.000 1.027 284 E CA -0.452 55.953 56.400 0.009 0.000 0.843 284 E CB 0.850 30.553 29.700 0.005 0.000 1.062 284 E HN 0.172 nan 8.360 nan 0.000 0.401 285 R N 3.730 124.233 120.500 0.005 0.000 2.437 285 R HA 0.325 4.667 4.340 0.003 0.000 0.310 285 R C -0.964 175.337 176.300 0.002 0.000 0.955 285 R CA -0.539 55.564 56.100 0.005 0.000 0.851 285 R CB 0.868 31.169 30.300 0.002 0.000 1.161 285 R HN 0.380 nan 8.270 nan 0.000 0.446 286 K N 1.803 122.205 120.400 0.004 0.000 2.328 286 K HA 0.334 4.655 4.320 0.003 0.000 0.246 286 K C -1.021 175.585 176.600 0.010 0.000 0.955 286 K CA -0.870 55.417 56.287 -0.000 0.000 0.817 286 K CB 2.466 34.959 32.500 -0.012 0.000 1.208 286 K HN 0.456 nan 8.250 nan 0.000 0.432 287 T N 1.818 116.379 114.554 0.013 0.000 2.811 287 T HA 0.154 4.506 4.350 0.003 0.000 0.309 287 T C -0.090 174.608 174.700 -0.004 0.000 1.005 287 T CA -0.540 61.578 62.100 0.030 0.000 0.955 287 T CB 0.282 69.182 68.868 0.053 0.000 0.970 287 T HN 0.156 nan 8.240 nan 0.000 0.496 288 V N 4.564 124.465 119.914 -0.022 0.000 2.529 288 V HA 0.141 4.263 4.120 0.003 0.000 0.292 288 V C 0.876 176.908 176.094 -0.102 0.000 1.028 288 V CA 0.185 62.418 62.300 -0.113 0.000 1.074 288 V CB 0.715 32.432 31.823 -0.177 0.000 0.958 288 V HN 0.819 nan 8.190 nan 0.000 0.481 289 T N 6.775 121.240 114.554 -0.147 0.000 2.772 289 T HA 0.511 4.863 4.350 0.003 0.000 0.288 289 T C -0.307 174.300 174.700 -0.155 0.000 0.994 289 T CA -0.101 61.949 62.100 -0.083 0.000 0.951 289 T CB 0.252 69.092 68.868 -0.047 0.000 0.933 289 T HN 0.292 nan 8.240 nan 0.000 0.447 290 F N 4.224 124.128 119.950 -0.077 0.000 2.410 290 F HA 0.346 4.875 4.527 0.003 0.000 0.334 290 F C -1.584 174.178 175.800 -0.063 0.000 1.134 290 F CA -2.055 55.904 58.000 -0.067 0.000 1.227 290 F CB 0.308 39.259 39.000 -0.081 0.000 1.194 290 F HN 0.345 nan 8.300 nan 0.000 0.571 291 P HA 0.077 nan 4.420 nan 0.000 0.271 291 P C -0.549 176.785 177.300 0.057 0.000 1.216 291 P CA -0.373 62.762 63.100 0.058 0.000 0.771 291 P CB 0.532 32.258 31.700 0.044 0.000 0.864 292 L N 3.790 125.027 121.223 0.023 0.000 2.714 292 L HA -0.100 4.242 4.340 0.003 0.000 0.301 292 L C -0.467 176.403 176.870 0.001 0.000 1.248 292 L CA 1.137 55.979 54.840 0.003 0.000 0.885 292 L CB 0.203 42.266 42.059 0.007 0.000 1.143 292 L HN 0.109 nan 8.230 nan 0.000 0.500 293 V N 5.708 125.604 119.914 -0.031 0.000 2.409 293 V HA 0.513 4.635 4.120 0.003 0.000 0.290 293 V C 0.661 176.719 176.094 -0.061 0.000 1.017 293 V CA -0.148 62.127 62.300 -0.041 0.000 0.841 293 V CB 1.198 32.976 31.823 -0.075 0.000 1.003 293 V HN 0.939 nan 8.190 nan 0.000 0.426 294 G N 3.484 112.273 108.800 -0.020 0.000 2.476 294 G HA2 0.540 4.502 3.960 0.003 0.000 0.269 294 G HA3 0.540 4.502 3.960 0.003 0.000 0.269 294 G C -0.951 173.888 174.900 -0.101 0.000 1.195 294 G CA -0.292 44.789 45.100 -0.031 0.000 0.843 294 G HN 0.579 nan 8.290 nan 0.000 0.545 295 L N 1.836 122.904 121.223 -0.258 0.000 2.481 295 L HA 0.305 4.646 4.340 0.003 0.000 0.255 295 L C -0.499 176.296 176.870 -0.124 0.000 1.192 295 L CA -0.898 53.834 54.840 -0.181 0.000 0.924 295 L CB 0.795 42.708 42.059 -0.243 0.000 1.179 295 L HN 0.463 nan 8.230 nan 0.000 0.491 296 D N 5.052 125.491 120.400 0.065 0.000 2.455 296 D HA 0.124 4.766 4.640 0.003 0.000 0.241 296 D C 0.122 176.476 176.300 0.090 0.000 1.138 296 D CA 0.011 54.122 54.000 0.185 0.000 0.877 296 D CB 0.602 41.516 40.800 0.190 0.000 1.187 296 D HN 0.390 nan 8.370 nan 0.000 0.451 297 R N -0.493 120.068 120.500 0.102 0.000 3.205 297 R HA -0.114 4.227 4.340 0.003 0.000 0.249 297 R C -2.283 174.070 176.300 0.089 0.000 0.937 297 R CA 0.081 56.234 56.100 0.088 0.000 0.641 297 R CB -2.126 28.221 30.300 0.078 0.000 1.114 297 R HN 0.437 nan 8.270 nan 0.000 0.451 298 P HA 0.047 nan 4.420 nan 0.000 0.276 298 P C -0.148 177.268 177.300 0.193 0.000 1.244 298 P CA -0.453 62.728 63.100 0.135 0.000 0.801 298 P CB 0.595 32.331 31.700 0.059 0.000 1.006 299 N N 1.661 120.527 118.700 0.277 0.000 2.671 299 N HA 0.058 4.799 4.740 0.003 0.000 0.274 299 N C -0.398 175.227 175.510 0.191 0.000 1.188 299 N CA 0.051 53.189 53.050 0.146 0.000 1.065 299 N CB -0.788 37.640 38.487 -0.098 0.000 1.415 299 N HN 0.059 nan 8.380 nan 0.000 0.511 300 V N 2.855 122.888 119.914 0.199 0.000 2.694 300 V HA -0.114 4.008 4.120 0.003 0.000 0.306 300 V C 0.577 176.725 176.094 0.090 0.000 1.054 300 V CA -0.284 62.074 62.300 0.095 0.000 1.161 300 V CB 0.164 31.969 31.823 -0.029 0.000 0.916 300 V HN 0.536 nan 8.190 nan 0.000 0.490 301 W N 5.686 126.894 121.300 -0.153 0.000 2.335 301 W HA 0.532 5.194 4.660 0.003 0.000 0.306 301 W C -0.848 175.529 176.519 -0.236 0.000 1.216 301 W CA -0.714 56.580 57.345 -0.085 0.000 1.237 301 W CB 0.603 30.033 29.460 -0.049 0.000 1.243 301 W HN 0.556 nan 8.180 nan 0.000 0.493 302 W N 7.990 128.917 121.300 -0.621 0.000 2.639 302 W HA 0.434 5.095 4.660 0.003 0.000 0.347 302 W C -1.794 174.011 176.519 -1.190 0.000 1.067 302 W CA -2.280 54.715 57.345 -0.584 0.000 1.218 302 W CB 0.614 29.880 29.460 -0.322 0.000 1.393 302 W HN 0.202 nan 8.180 nan 0.000 0.557 303 P HA 0.065 nan 4.420 nan 0.000 0.269 303 P C -0.338 176.838 177.300 -0.206 0.000 1.217 303 P CA -0.080 62.853 63.100 -0.278 0.000 0.783 303 P CB 0.350 32.072 31.700 0.036 0.000 0.898 304 A N 1.778 124.505 122.820 -0.154 0.000 2.561 304 A HA 0.375 4.697 4.320 0.003 0.000 0.234 304 A C 1.640 179.169 177.584 -0.091 0.000 1.055 304 A CA 0.918 52.883 52.037 -0.120 0.000 0.756 304 A CB -1.544 17.410 19.000 -0.077 0.000 0.986 304 A HN 0.872 nan 8.150 nan 0.000 0.505 305 G N 0.916 109.654 108.800 -0.102 0.000 2.267 305 G HA2 -0.329 3.633 3.960 0.003 0.000 0.257 305 G HA3 -0.329 3.633 3.960 0.003 0.000 0.257 305 G C 0.805 175.625 174.900 -0.134 0.000 0.998 305 G CA 1.032 46.074 45.100 -0.098 0.000 0.620 305 G HN 0.724 nan 8.290 nan 0.000 0.529 306 M N 0.414 119.928 119.600 -0.144 0.000 2.382 306 M HA 0.457 4.938 4.480 0.003 0.000 0.247 306 M C 1.245 177.198 176.300 -0.579 0.000 1.104 306 M CA 1.173 56.328 55.300 -0.241 0.000 1.030 306 M CB 0.867 33.471 32.600 0.007 0.000 1.424 306 M HN 0.940 nan 8.290 nan 0.000 0.486 307 G N -0.595 107.968 108.800 -0.395 0.000 2.368 307 G HA2 0.309 4.270 3.960 0.003 0.000 0.269 307 G HA3 0.309 4.270 3.960 0.003 0.000 0.269 307 G C -1.074 173.726 174.900 -0.166 0.000 1.291 307 G CA -0.612 44.214 45.100 -0.457 0.000 0.903 307 G HN 0.211 nan 8.290 nan 0.000 0.483 308 G N -1.237 107.542 108.800 -0.036 0.000 2.539 308 G HA2 0.485 4.446 3.960 0.003 0.000 0.258 308 G HA3 0.485 4.446 3.960 0.003 0.000 0.258 308 G C -0.072 174.771 174.900 -0.096 0.000 1.202 308 G CA -0.083 45.007 45.100 -0.016 0.000 0.851 308 G HN 0.466 nan 8.290 nan 0.000 0.556 309 Q N -0.023 119.669 119.800 -0.181 0.000 2.268 309 Q HA 0.210 4.552 4.340 0.003 0.000 0.289 309 Q C -0.084 175.934 176.000 0.031 0.000 0.893 309 Q CA -0.329 55.290 55.803 -0.306 0.000 1.057 309 Q CB 0.010 28.605 28.738 -0.239 0.000 1.173 309 Q HN 0.719 nan 8.270 nan 0.000 0.449 310 H N 0.468 119.552 119.070 0.023 0.000 2.948 310 H HA 0.194 4.752 4.556 0.003 0.000 0.351 310 H C -0.021 175.320 175.328 0.023 0.000 1.079 310 H CA 0.889 56.919 56.048 -0.030 0.000 1.407 310 H CB 0.600 30.252 29.762 -0.183 0.000 1.373 310 H HN 0.045 nan 8.280 nan 0.000 0.605 311 R N 2.494 123.000 120.500 0.010 0.000 2.628 311 R HA 0.236 4.578 4.340 0.003 0.000 0.288 311 R C -1.071 175.078 176.300 -0.251 0.000 0.980 311 R CA -0.783 55.257 56.100 -0.099 0.000 0.891 311 R CB 1.330 31.603 30.300 -0.046 0.000 1.188 311 R HN 0.542 nan 8.270 nan 0.000 0.450 312 Y N 0.483 120.493 120.300 -0.484 0.000 2.334 312 Y HA 0.159 4.710 4.550 0.003 0.000 0.325 312 Y C 0.564 176.251 175.900 -0.356 0.000 1.308 312 Y CA 0.082 57.874 58.100 -0.513 0.000 1.389 312 Y CB 0.832 38.782 38.460 -0.850 0.000 1.328 312 Y HN 0.366 nan 8.280 nan 0.000 0.532 313 D N 1.188 121.643 120.400 0.093 0.000 2.185 313 D HA 0.312 4.954 4.640 0.003 0.000 0.247 313 D C -1.369 175.105 176.300 0.289 0.000 1.027 313 D CA -0.494 53.601 54.000 0.159 0.000 0.861 313 D CB 2.074 42.935 40.800 0.102 0.000 1.202 313 D HN 0.240 nan 8.370 nan 0.000 0.453 314 L N 2.291 123.663 121.223 0.249 0.000 2.298 314 L HA 0.386 4.728 4.340 0.003 0.000 0.284 314 L C -1.080 175.823 176.870 0.054 0.000 1.013 314 L CA -0.323 54.592 54.840 0.124 0.000 0.824 314 L CB 1.230 43.318 42.059 0.048 0.000 1.221 314 L HN 0.089 nan 8.230 nan 0.000 0.418 315 D N 5.424 125.835 120.400 0.019 0.000 2.462 315 D HA 0.458 5.100 4.640 0.003 0.000 0.245 315 D C -1.190 175.103 176.300 -0.012 0.000 1.122 315 D CA -0.041 53.968 54.000 0.015 0.000 0.864 315 D CB 0.845 41.662 40.800 0.027 0.000 1.098 315 D HN 0.507 nan 8.370 nan 0.000 0.541 316 L N 1.807 123.027 121.223 -0.004 0.000 2.301 316 L HA 0.678 5.020 4.340 0.003 0.000 0.264 316 L C -0.082 176.806 176.870 0.030 0.000 1.016 316 L CA -0.751 54.089 54.840 0.000 0.000 0.821 316 L CB 2.525 44.583 42.059 -0.002 0.000 1.346 316 L HN 0.211 nan 8.230 nan 0.000 0.429 317 T N 0.903 115.485 114.554 0.046 0.000 3.071 317 T HA 0.525 4.877 4.350 0.003 0.000 0.311 317 T C -0.743 173.995 174.700 0.064 0.000 1.042 317 T CA -0.487 61.643 62.100 0.050 0.000 1.028 317 T CB 1.801 70.696 68.868 0.044 0.000 1.068 317 T HN 0.629 nan 8.240 nan 0.000 0.451 318 A N 2.715 125.569 122.820 0.057 0.000 2.289 318 A HA 0.764 5.086 4.320 0.003 0.000 0.298 318 A C 0.150 177.762 177.584 0.046 0.000 1.208 318 A CA -0.396 51.674 52.037 0.054 0.000 0.845 318 A CB 0.396 19.424 19.000 0.047 0.000 1.125 318 A HN 0.682 nan 8.150 nan 0.000 0.517 319 S N 0.597 116.323 115.700 0.043 0.000 2.536 319 S HA 0.674 5.145 4.470 0.003 0.000 0.298 319 S C -0.723 173.897 174.600 0.032 0.000 1.083 319 S CA -0.512 57.711 58.200 0.038 0.000 0.995 319 S CB 1.775 64.997 63.200 0.037 0.000 1.058 319 S HN 0.624 nan 8.310 nan 0.000 0.488 320 V N 1.488 121.421 119.914 0.032 0.000 2.577 320 V HA 0.653 4.774 4.120 0.003 0.000 0.303 320 V C 0.657 176.766 176.094 0.026 0.000 1.042 320 V CA -0.248 62.069 62.300 0.028 0.000 0.872 320 V CB 1.073 32.914 31.823 0.030 0.000 0.998 320 V HN 1.249 nan 8.190 nan 0.000 0.423 321 G N 3.538 112.351 108.800 0.022 0.000 2.338 321 G HA2 0.083 4.045 3.960 0.003 0.000 0.296 321 G HA3 0.083 4.045 3.960 0.003 0.000 0.296 321 G C 1.119 176.032 174.900 0.021 0.000 1.040 321 G CA 0.677 45.789 45.100 0.020 0.000 1.004 321 G HN 2.442 nan 8.290 nan 0.000 0.509 322 G N -2.138 106.676 108.800 0.022 0.000 2.160 322 G HA2 0.021 3.982 3.960 0.003 0.000 0.251 322 G HA3 0.021 3.982 3.960 0.003 0.000 0.251 322 G C 0.249 175.164 174.900 0.026 0.000 1.008 322 G CA 0.918 46.032 45.100 0.023 0.000 0.724 322 G HN 1.850 nan 8.290 nan 0.000 0.514 323 T N 1.802 116.372 114.554 0.028 0.000 2.879 323 T HA 0.570 4.921 4.350 0.003 0.000 0.290 323 T C -2.613 172.107 174.700 0.034 0.000 0.993 323 T CA -1.086 61.032 62.100 0.031 0.000 0.975 323 T CB 3.065 71.951 68.868 0.031 0.000 0.981 323 T HN 0.059 nan 8.240 nan 0.000 0.439 324 P HA 0.013 nan 4.420 nan 0.000 0.261 324 P C 0.371 177.696 177.300 0.042 0.000 1.165 324 P CA 0.394 63.517 63.100 0.039 0.000 0.759 324 P CB 0.830 32.553 31.700 0.039 0.000 0.772 325 S N 1.201 116.928 115.700 0.045 0.000 2.599 325 S HA 0.103 4.574 4.470 0.003 0.000 0.236 325 S C 0.066 174.697 174.600 0.052 0.000 1.077 325 S CA 0.320 58.550 58.200 0.050 0.000 0.906 325 S CB 0.191 63.421 63.200 0.050 0.000 0.804 325 S HN 0.518 nan 8.310 nan 0.000 0.497 326 D N -0.534 119.893 120.400 0.044 0.000 2.717 326 D HA 0.682 5.324 4.640 0.003 0.000 0.223 326 D C -1.305 175.016 176.300 0.037 0.000 1.240 326 D CA -0.015 54.007 54.000 0.037 0.000 0.801 326 D CB 2.029 42.840 40.800 0.018 0.000 1.556 326 D HN 0.362 nan 8.370 nan 0.000 0.462 327 A N 0.845 123.686 122.820 0.036 0.000 2.469 327 A HA 0.978 5.300 4.320 0.003 0.000 0.299 327 A C -1.403 176.202 177.584 0.035 0.000 1.098 327 A CA -0.234 51.825 52.037 0.037 0.000 0.737 327 A CB 1.839 20.862 19.000 0.039 0.000 1.312 327 A HN 0.831 nan 8.150 nan 0.000 0.414 328 A N 1.237 124.078 122.820 0.035 0.000 2.456 328 A HA 0.645 4.966 4.320 0.003 0.000 0.288 328 A C -0.860 176.746 177.584 0.037 0.000 1.042 328 A CA -0.511 51.548 52.037 0.036 0.000 0.738 328 A CB 1.005 20.025 19.000 0.033 0.000 1.266 328 A HN 0.649 nan 8.150 nan 0.000 0.407 329 K N 1.354 121.780 120.400 0.044 0.000 2.156 329 K HA 0.692 5.014 4.320 0.003 0.000 0.271 329 K C 0.127 176.760 176.600 0.055 0.000 0.995 329 K CA -0.075 56.242 56.287 0.050 0.000 0.890 329 K CB 1.584 34.116 32.500 0.053 0.000 1.073 329 K HN 0.936 nan 8.250 nan 0.000 0.454 330 S N 2.168 117.906 115.700 0.064 0.000 2.840 330 S HA 0.627 5.099 4.470 0.003 0.000 0.307 330 S C -1.047 173.613 174.600 0.099 0.000 1.180 330 S CA -0.979 57.261 58.200 0.066 0.000 0.846 330 S CB 1.796 65.026 63.200 0.049 0.000 1.233 330 S HN 0.471 nan 8.310 nan 0.000 0.548 331 K N -0.299 120.153 120.400 0.087 0.000 2.482 331 K HA 0.777 5.098 4.320 0.003 0.000 0.257 331 K C -1.664 175.036 176.600 0.167 0.000 0.969 331 K CA -0.683 55.668 56.287 0.106 0.000 0.842 331 K CB 2.026 34.532 32.500 0.011 0.000 1.359 331 K HN 0.715 nan 8.250 nan 0.000 0.441 332 F N -2.065 117.863 119.950 -0.037 0.000 2.654 332 F HA 0.722 5.251 4.527 0.003 0.000 0.308 332 F C -0.444 175.358 175.800 0.004 0.000 1.108 332 F CA -1.185 56.773 58.000 -0.070 0.000 0.957 332 F CB 1.295 40.255 39.000 -0.066 0.000 1.309 332 F HN 0.479 nan 8.300 nan 0.000 0.446 333 G N 0.821 109.614 108.800 -0.013 0.000 2.400 333 G HA2 0.580 4.541 3.960 0.003 0.000 0.333 333 G HA3 0.580 4.541 3.960 0.003 0.000 0.333 333 G C -1.838 173.116 174.900 0.089 0.000 1.143 333 G CA -1.090 43.981 45.100 -0.048 0.000 0.914 333 G HN 0.673 nan 8.290 nan 0.000 0.480 334 V N 3.073 123.072 119.914 0.141 0.000 2.311 334 V HA 0.701 4.823 4.120 0.003 0.000 0.275 334 V C 0.232 176.367 176.094 0.068 0.000 1.022 334 V CA -0.562 61.813 62.300 0.124 0.000 0.830 334 V CB 0.528 32.442 31.823 0.151 0.000 1.012 334 V HN 0.885 nan 8.190 nan 0.000 0.452 335 R N 3.400 123.905 120.500 0.008 0.000 2.736 335 R HA 0.300 4.641 4.340 0.003 0.000 0.250 335 R C -2.334 173.936 176.300 -0.050 0.000 1.098 335 R CA -0.530 55.551 56.100 -0.032 0.000 0.978 335 R CB 2.178 32.520 30.300 0.070 0.000 1.263 335 R HN 0.682 nan 8.270 nan 0.000 0.460 336 D N 2.098 122.459 120.400 -0.065 0.000 2.192 336 D HA 0.475 5.117 4.640 0.003 0.000 0.246 336 D C -1.263 175.031 176.300 -0.010 0.000 1.042 336 D CA -0.408 53.568 54.000 -0.041 0.000 0.847 336 D CB 2.025 42.804 40.800 -0.035 0.000 1.186 336 D HN 0.364 nan 8.370 nan 0.000 0.461 337 V N 3.175 123.089 119.914 0.000 0.000 2.656 337 V HA 0.609 4.731 4.120 0.003 0.000 0.307 337 V C -1.509 174.606 176.094 0.036 0.000 1.051 337 V CA -0.513 61.818 62.300 0.051 0.000 0.893 337 V CB 1.573 33.448 31.823 0.086 0.000 0.999 337 V HN 0.562 nan 8.190 nan 0.000 0.426 338 K N 4.588 125.022 120.400 0.056 0.000 2.371 338 K HA 0.858 5.179 4.320 0.003 0.000 0.251 338 K C -1.012 175.549 176.600 -0.064 0.000 0.934 338 K CA -0.526 55.760 56.287 -0.002 0.000 0.798 338 K CB 2.407 34.906 32.500 -0.001 0.000 1.204 338 K HN 0.888 nan 8.250 nan 0.000 0.427 339 A N 1.902 124.603 122.820 -0.197 0.000 2.763 339 A HA 0.345 4.666 4.320 0.003 0.000 0.325 339 A C -0.276 177.139 177.584 -0.282 0.000 1.209 339 A CA -0.583 51.182 52.037 -0.455 0.000 0.764 339 A CB 0.295 18.725 19.000 -0.950 0.000 1.120 339 A HN 0.689 nan 8.150 nan 0.000 0.463 340 T N -0.510 113.943 114.554 -0.169 0.000 2.937 340 T HA 0.774 5.126 4.350 0.003 0.000 0.283 340 T C -0.110 174.548 174.700 -0.070 0.000 1.012 340 T CA -0.797 61.245 62.100 -0.098 0.000 0.997 340 T CB 0.814 69.654 68.868 -0.047 0.000 1.136 340 T HN 0.329 nan 8.240 nan 0.000 0.551 341 L N 2.881 124.081 121.223 -0.038 0.000 2.292 341 L HA 0.422 4.764 4.340 0.003 0.000 0.284 341 L C 0.625 177.504 176.870 0.015 0.000 1.065 341 L CA -1.127 53.708 54.840 -0.009 0.000 0.806 341 L CB 0.764 42.819 42.059 -0.006 0.000 1.175 341 L HN 0.811 nan 8.230 nan 0.000 0.431 342 N N 0.454 119.177 118.700 0.038 0.000 2.364 342 N HA 0.072 4.813 4.740 0.003 0.000 0.264 342 N C 0.855 176.387 175.510 0.037 0.000 1.263 342 N CA -0.265 52.811 53.050 0.043 0.000 0.959 342 N CB 0.388 38.912 38.487 0.061 0.000 1.204 342 N HN 0.559 nan 8.380 nan 0.000 0.550 343 S N -1.042 114.676 115.700 0.031 0.000 2.419 343 S HA -0.152 4.320 4.470 0.003 0.000 0.235 343 S C 1.244 175.863 174.600 0.030 0.000 1.019 343 S CA 1.038 59.252 58.200 0.024 0.000 0.982 343 S CB -0.730 62.479 63.200 0.015 0.000 0.789 343 S HN 0.571 nan 8.310 nan 0.000 0.490 344 S N 0.762 116.490 115.700 0.046 0.000 2.603 344 S HA 0.432 4.903 4.470 0.003 0.000 0.220 344 S C 1.440 176.091 174.600 0.086 0.000 0.967 344 S CA 0.305 58.541 58.200 0.061 0.000 0.920 344 S CB -0.244 63.005 63.200 0.082 0.000 0.773 344 S HN 1.007 nan 8.310 nan 0.000 0.529 345 G N 1.367 110.210 108.800 0.071 0.000 2.153 345 G HA2 -0.191 3.771 3.960 0.003 0.000 0.252 345 G HA3 -0.191 3.771 3.960 0.003 0.000 0.252 345 G C 0.238 175.195 174.900 0.095 0.000 0.994 345 G CA -0.114 45.030 45.100 0.072 0.000 0.698 345 G HN 0.807 nan 8.290 nan 0.000 0.521 346 G N -0.716 108.155 108.800 0.118 0.000 2.377 346 G HA2 0.601 4.562 3.960 0.003 0.000 0.299 346 G HA3 0.601 4.562 3.960 0.003 0.000 0.299 346 G C 0.025 174.994 174.900 0.115 0.000 1.150 346 G CA -0.515 44.674 45.100 0.148 0.000 0.847 346 G HN 0.536 nan 8.290 nan 0.000 0.501 347 R N 0.668 121.230 120.500 0.104 0.000 2.316 347 R HA 0.322 4.664 4.340 0.003 0.000 0.314 347 R C -0.174 176.188 176.300 0.104 0.000 1.069 347 R CA -0.216 55.880 56.100 -0.007 0.000 0.959 347 R CB 0.689 30.875 30.300 -0.190 0.000 0.987 347 R HN 0.481 nan 8.270 nan 0.000 0.446 348 Q N 4.168 123.982 119.800 0.023 0.000 2.333 348 Q HA 0.268 4.610 4.340 0.003 0.000 0.268 348 Q C -1.689 174.337 176.000 0.044 0.000 1.007 348 Q CA -0.465 55.425 55.803 0.144 0.000 0.810 348 Q CB 0.751 29.580 28.738 0.151 0.000 1.264 348 Q HN 0.627 nan 8.270 nan 0.000 0.452 349 Y N 1.304 121.718 120.300 0.190 0.000 2.307 349 Y HA 0.607 5.159 4.550 0.003 0.000 0.324 349 Y C 0.257 176.242 175.900 0.143 0.000 1.238 349 Y CA 0.196 58.383 58.100 0.145 0.000 1.280 349 Y CB 1.832 40.391 38.460 0.165 0.000 1.248 349 Y HN 0.727 nan 8.280 nan 0.000 0.508 350 S N 0.209 116.079 115.700 0.283 0.000 2.533 350 S HA 0.730 5.202 4.470 0.003 0.000 0.271 350 S C -1.746 172.965 174.600 0.185 0.000 1.143 350 S CA -0.973 57.355 58.200 0.213 0.000 0.891 350 S CB 1.170 64.463 63.200 0.154 0.000 1.105 350 S HN 0.315 nan 8.310 nan 0.000 0.468 351 V N 2.447 122.463 119.914 0.170 0.000 2.409 351 V HA 0.495 4.617 4.120 0.003 0.000 0.291 351 V C 0.116 176.235 176.094 0.042 0.000 1.020 351 V CA -0.830 61.542 62.300 0.119 0.000 0.848 351 V CB 0.581 32.505 31.823 0.168 0.000 0.990 351 V HN 1.138 nan 8.190 nan 0.000 0.430 352 N N 3.756 122.428 118.700 -0.048 0.000 2.725 352 N HA -0.230 4.512 4.740 0.003 0.000 0.251 352 N C 1.156 176.685 175.510 0.032 0.000 1.031 352 N CA 0.466 53.448 53.050 -0.113 0.000 0.720 352 N CB -0.869 37.327 38.487 -0.485 0.000 0.930 352 N HN 1.425 nan 8.380 nan 0.000 0.543 353 G N -0.851 107.988 108.800 0.064 0.000 2.196 353 G HA2 -0.399 3.563 3.960 0.003 0.000 0.268 353 G HA3 -0.399 3.563 3.960 0.003 0.000 0.268 353 G C 0.003 174.984 174.900 0.135 0.000 0.975 353 G CA 0.791 45.947 45.100 0.094 0.000 0.648 353 G HN 0.377 nan 8.290 nan 0.000 0.538 354 K N 1.691 122.197 120.400 0.177 0.000 2.267 354 K HA 0.366 4.688 4.320 0.003 0.000 0.282 354 K C -2.443 174.279 176.600 0.202 0.000 1.078 354 K CA -1.769 54.642 56.287 0.208 0.000 0.903 354 K CB 1.963 34.634 32.500 0.286 0.000 1.111 354 K HN 0.219 nan 8.250 nan 0.000 0.475 355 P HA 0.209 nan 4.420 nan 0.000 0.275 355 P C -0.663 176.801 177.300 0.274 0.000 1.227 355 P CA -0.613 62.630 63.100 0.239 0.000 0.781 355 P CB 0.745 32.587 31.700 0.238 0.000 0.906 356 L N 3.187 124.560 121.223 0.250 0.000 2.386 356 L HA 0.375 4.717 4.340 0.003 0.000 0.271 356 L C -0.334 176.514 176.870 -0.036 0.000 0.993 356 L CA -0.971 53.938 54.840 0.114 0.000 0.819 356 L CB 1.540 43.665 42.059 0.111 0.000 1.294 356 L HN 0.253 nan 8.230 nan 0.000 0.414 357 L N 4.765 125.667 121.223 -0.535 0.000 2.410 357 L HA 0.330 4.671 4.340 0.003 0.000 0.273 357 L C -0.345 176.379 176.870 -0.243 0.000 1.144 357 L CA 0.410 54.863 54.840 -0.645 0.000 0.863 357 L CB 0.108 41.487 42.059 -1.134 0.000 1.140 357 L HN 0.295 nan 8.230 nan 0.000 0.463 358 I N 6.456 126.953 120.570 -0.123 0.000 2.379 358 I HA 0.192 4.363 4.170 0.003 0.000 0.290 358 I C 0.371 176.394 176.117 -0.157 0.000 1.063 358 I CA 0.233 61.477 61.300 -0.094 0.000 1.351 358 I CB 0.014 38.027 38.000 0.021 0.000 1.410 358 I HN 0.637 nan 8.210 nan 0.000 0.505 359 R N 4.628 125.080 120.500 -0.079 0.000 2.275 359 R HA 0.660 5.002 4.340 0.003 0.000 0.326 359 R C 0.224 176.556 176.300 0.053 0.000 0.973 359 R CA -0.382 55.727 56.100 0.014 0.000 0.854 359 R CB 1.916 32.212 30.300 -0.006 0.000 1.156 359 R HN 0.861 nan 8.270 nan 0.000 0.487 360 G N 0.411 109.285 108.800 0.123 0.000 2.815 360 G HA2 0.714 4.676 3.960 0.003 0.000 0.305 360 G HA3 0.714 4.676 3.960 0.003 0.000 0.305 360 G C -1.265 173.739 174.900 0.173 0.000 1.277 360 G CA -0.649 44.515 45.100 0.106 0.000 0.795 360 G HN 0.596 nan 8.290 nan 0.000 0.528 361 G N -1.791 107.088 108.800 0.131 0.000 2.704 361 G HA2 0.647 4.609 3.960 0.003 0.000 0.293 361 G HA3 0.647 4.609 3.960 0.003 0.000 0.293 361 G C -0.228 174.709 174.900 0.062 0.000 1.421 361 G CA 0.225 45.401 45.100 0.126 0.000 0.870 361 G HN 1.230 nan 8.290 nan 0.000 0.492 362 G N -0.612 108.162 108.800 -0.044 0.000 2.361 362 G HA2 0.439 4.401 3.960 0.003 0.000 0.260 362 G HA3 0.439 4.401 3.960 0.003 0.000 0.260 362 G C -0.597 174.120 174.900 -0.304 0.000 1.261 362 G CA -0.057 44.928 45.100 -0.191 0.000 0.897 362 G HN 0.713 nan 8.290 nan 0.000 0.499 363 Y N 1.868 122.034 120.300 -0.223 0.000 2.352 363 Y HA 0.625 5.177 4.550 0.003 0.000 0.326 363 Y C 0.311 176.067 175.900 -0.240 0.000 1.166 363 Y CA -0.513 57.479 58.100 -0.180 0.000 1.182 363 Y CB 2.202 40.663 38.460 0.002 0.000 1.216 363 Y HN 0.566 nan 8.280 nan 0.000 0.474 364 T N 8.054 121.995 114.554 -1.022 0.000 2.912 364 T HA 0.493 4.845 4.350 0.003 0.000 0.299 364 T C -2.868 171.386 174.700 -0.743 0.000 1.052 364 T CA -2.169 59.562 62.100 -0.614 0.000 0.996 364 T CB 1.450 70.129 68.868 -0.315 0.000 1.070 364 T HN 0.558 nan 8.240 nan 0.000 0.465 365 P HA 0.231 nan 4.420 nan 0.000 0.286 365 P C -0.561 176.819 177.300 0.133 0.000 1.293 365 P CA -0.255 62.919 63.100 0.124 0.000 0.770 365 P CB 0.355 32.255 31.700 0.333 0.000 1.206 366 D N -1.173 119.326 120.400 0.165 0.000 2.382 366 D HA -0.041 4.601 4.640 0.003 0.000 0.240 366 D C 1.201 177.466 176.300 -0.057 0.000 1.146 366 D CA -0.345 53.701 54.000 0.076 0.000 0.897 366 D CB 0.201 41.092 40.800 0.152 0.000 1.197 366 D HN 0.067 nan 8.370 nan 0.000 0.432 367 L N 2.707 123.625 121.223 -0.507 0.000 2.191 367 L HA 0.009 4.350 4.340 0.003 0.000 0.212 367 L C 0.664 177.088 176.870 -0.744 0.000 1.103 367 L CA 1.573 55.733 54.840 -1.133 0.000 0.769 367 L CB -0.344 40.807 42.059 -1.514 0.000 0.908 367 L HN 0.524 nan 8.230 nan 0.000 0.438 368 F N -1.301 118.696 119.950 0.078 0.000 2.708 368 F HA 0.374 4.903 4.527 0.003 0.000 0.300 368 F C 0.995 176.903 175.800 0.180 0.000 1.118 368 F CA -0.677 57.401 58.000 0.130 0.000 1.307 368 F CB -0.383 38.678 39.000 0.102 0.000 0.986 368 F HN -0.192 nan 8.300 nan 0.000 0.522 369 L N -0.511 120.903 121.223 0.319 0.000 4.429 369 L HA -0.310 4.032 4.340 0.003 0.000 0.422 369 L C 0.357 177.413 176.870 0.310 0.000 1.149 369 L CA 0.354 55.386 54.840 0.321 0.000 0.972 369 L CB -1.588 40.638 42.059 0.278 0.000 2.059 369 L HN 0.290 nan 8.230 nan 0.000 0.870 370 R N 0.870 121.547 120.500 0.294 0.000 2.458 370 R HA 0.028 4.370 4.340 0.003 0.000 0.303 370 R C 0.169 176.664 176.300 0.326 0.000 1.013 370 R CA 0.068 56.332 56.100 0.274 0.000 1.026 370 R CB 0.415 30.840 30.300 0.209 0.000 0.948 370 R HN 0.272 nan 8.270 nan 0.000 0.417 371 W N 5.551 126.938 121.300 0.145 0.000 2.351 371 W HA 0.206 4.868 4.660 0.003 0.000 0.311 371 W C -0.946 175.651 176.519 0.131 0.000 1.168 371 W CA -0.522 56.910 57.345 0.144 0.000 1.200 371 W CB 1.060 30.607 29.460 0.144 0.000 1.221 371 W HN 0.518 nan 8.180 nan 0.000 0.519 372 N N 4.522 122.782 118.700 -0.734 0.000 2.430 372 N HA -0.014 4.728 4.740 0.003 0.000 0.290 372 N C 0.363 175.163 175.510 -1.182 0.000 1.063 372 N CA -0.089 52.515 53.050 -0.742 0.000 0.883 372 N CB 1.946 40.253 38.487 -0.300 0.000 1.465 372 N HN 0.688 nan 8.380 nan 0.000 0.493 373 E N 1.824 121.446 120.200 -0.963 0.000 2.072 373 E HA -0.122 4.230 4.350 0.003 0.000 0.191 373 E C 0.769 177.199 176.600 -0.282 0.000 0.985 373 E CA 1.653 57.731 56.400 -0.537 0.000 0.801 373 E CB 0.303 30.008 29.700 0.009 0.000 0.750 373 E HN 0.647 nan 8.360 nan 0.000 0.452 374 T N 0.585 115.016 114.554 -0.205 0.000 2.746 374 T HA -0.146 4.206 4.350 0.003 0.000 0.267 374 T C 1.870 176.478 174.700 -0.154 0.000 1.039 374 T CA 1.247 63.268 62.100 -0.132 0.000 1.142 374 T CB -0.284 68.531 68.868 -0.089 0.000 0.866 374 T HN 0.312 nan 8.240 nan 0.000 0.444 375 A N 1.431 124.130 122.820 -0.200 0.000 1.930 375 A HA 0.225 4.547 4.320 0.003 0.000 0.217 375 A C 2.666 180.178 177.584 -0.121 0.000 1.175 375 A CA 1.674 53.617 52.037 -0.155 0.000 0.627 375 A CB -1.084 17.839 19.000 -0.129 0.000 0.815 375 A HN 0.503 nan 8.150 nan 0.000 0.443 376 A N 0.107 122.817 122.820 -0.182 0.000 1.883 376 A HA 0.076 4.398 4.320 0.003 0.000 0.217 376 A C 2.519 180.115 177.584 0.019 0.000 1.186 376 A CA 2.344 54.385 52.037 0.007 0.000 0.624 376 A CB -1.101 17.899 19.000 -0.000 0.000 0.822 376 A HN 1.105 nan 8.150 nan 0.000 0.444 377 A N -0.336 122.455 122.820 -0.049 0.000 1.930 377 A HA -0.154 4.167 4.320 0.003 0.000 0.217 377 A C 1.744 179.278 177.584 -0.083 0.000 1.175 377 A CA 1.849 53.853 52.037 -0.056 0.000 0.627 377 A CB -0.561 18.411 19.000 -0.048 0.000 0.815 377 A HN 0.473 nan 8.150 nan 0.000 0.443 378 D N 0.010 120.331 120.400 -0.132 0.000 2.117 378 D HA -0.118 4.524 4.640 0.003 0.000 0.197 378 D C 1.944 178.021 176.300 -0.372 0.000 0.987 378 D CA 1.385 55.238 54.000 -0.246 0.000 0.829 378 D CB -0.211 40.408 40.800 -0.301 0.000 0.961 378 D HN 0.524 nan 8.370 nan 0.000 0.460 379 K N 0.122 120.379 120.400 -0.239 0.000 2.062 379 K HA 0.018 4.339 4.320 0.003 0.000 0.205 379 K C 2.324 178.955 176.600 0.052 0.000 1.051 379 K CA 0.446 56.635 56.287 -0.163 0.000 0.941 379 K CB -0.082 32.583 32.500 0.274 0.000 0.719 379 K HN 0.129 nan 8.250 nan 0.000 0.440 380 L N 1.196 122.448 121.223 0.048 0.000 2.141 380 L HA -0.149 4.192 4.340 0.003 0.000 0.209 380 L C 2.186 179.068 176.870 0.020 0.000 1.094 380 L CA 1.199 56.044 54.840 0.010 0.000 0.763 380 L CB -0.165 41.805 42.059 -0.149 0.000 0.908 380 L HN 0.116 nan 8.230 nan 0.000 0.437 381 K N -1.173 119.233 120.400 0.010 0.000 2.057 381 K HA -0.167 4.155 4.320 0.003 0.000 0.206 381 K C 2.101 178.803 176.600 0.169 0.000 1.050 381 K CA 1.137 57.457 56.287 0.056 0.000 0.935 381 K CB -0.202 32.320 32.500 0.036 0.000 0.715 381 K HN 0.058 nan 8.250 nan 0.000 0.439 382 Y N 1.266 121.532 120.300 -0.056 0.000 2.181 382 Y HA -0.266 4.285 4.550 0.003 0.000 0.284 382 Y C 2.258 178.188 175.900 0.050 0.000 1.179 382 Y CA 0.544 58.640 58.100 -0.006 0.000 1.179 382 Y CB -0.893 37.431 38.460 -0.227 0.000 0.973 382 Y HN -0.189 nan 8.280 nan 0.000 0.519 383 V N 0.002 120.044 119.914 0.213 0.000 2.252 383 V HA -0.346 3.775 4.120 0.003 0.000 0.249 383 V C 2.483 178.583 176.094 0.010 0.000 1.056 383 V CA 2.032 64.398 62.300 0.109 0.000 1.022 383 V CB -0.942 30.941 31.823 0.099 0.000 0.641 383 V HN 0.349 nan 8.190 nan 0.000 0.445 384 L N 0.269 121.505 121.223 0.021 0.000 2.093 384 L HA -0.161 4.181 4.340 0.003 0.000 0.208 384 L C 2.526 179.381 176.870 -0.025 0.000 1.085 384 L CA 1.778 56.610 54.840 -0.013 0.000 0.755 384 L CB -0.820 41.236 42.059 -0.004 0.000 0.904 384 L HN 0.480 nan 8.230 nan 0.000 0.435 385 N N 0.909 119.617 118.700 0.013 0.000 2.364 385 N HA -0.167 4.575 4.740 0.003 0.000 0.183 385 N C 1.736 177.199 175.510 -0.079 0.000 1.022 385 N CA 1.054 54.110 53.050 0.010 0.000 0.883 385 N CB 0.130 38.657 38.487 0.066 0.000 0.965 385 N HN 0.359 nan 8.380 nan 0.000 0.438 386 L N -0.388 120.727 121.223 -0.180 0.000 2.509 386 L HA 0.150 4.492 4.340 0.003 0.000 0.222 386 L C 1.403 178.084 176.870 -0.316 0.000 1.123 386 L CA 0.550 55.171 54.840 -0.365 0.000 0.856 386 L CB -0.034 41.751 42.059 -0.456 0.000 0.985 386 L HN 0.283 nan 8.230 nan 0.000 0.456 387 G N 0.179 108.857 108.800 -0.204 0.000 2.143 387 G HA2 -0.271 3.691 3.960 0.003 0.000 0.249 387 G HA3 -0.271 3.691 3.960 0.003 0.000 0.249 387 G C 0.250 175.027 174.900 -0.205 0.000 0.981 387 G CA 0.010 44.997 45.100 -0.188 0.000 0.665 387 G HN 0.214 nan 8.290 nan 0.000 0.528 388 L N -0.119 120.982 121.223 -0.203 0.000 2.468 388 L HA 0.466 4.807 4.340 0.003 0.000 0.254 388 L C 1.465 178.284 176.870 -0.085 0.000 1.171 388 L CA -0.091 54.647 54.840 -0.170 0.000 0.809 388 L CB 0.631 42.599 42.059 -0.152 0.000 1.155 388 L HN 0.302 nan 8.230 nan 0.000 0.473 389 N N -2.319 116.348 118.700 -0.055 0.000 2.181 389 N HA 0.089 4.831 4.740 0.003 0.000 0.207 389 N C -0.428 175.086 175.510 0.008 0.000 1.182 389 N CA -0.190 52.848 53.050 -0.020 0.000 0.893 389 N CB 0.926 39.403 38.487 -0.017 0.000 1.032 389 N HN 0.479 nan 8.380 nan 0.000 0.513 390 T N 0.170 114.729 114.554 0.008 0.000 2.956 390 T HA 0.545 4.897 4.350 0.003 0.000 0.312 390 T C -1.304 173.426 174.700 0.049 0.000 1.151 390 T CA -0.788 61.325 62.100 0.023 0.000 1.024 390 T CB 2.344 71.214 68.868 0.004 0.000 1.140 390 T HN 0.102 nan 8.240 nan 0.000 0.473 391 V N 0.589 120.539 119.914 0.060 0.000 2.540 391 V HA 0.739 4.860 4.120 0.003 0.000 0.302 391 V C -0.186 175.968 176.094 0.100 0.000 1.035 391 V CA -1.125 61.238 62.300 0.104 0.000 0.873 391 V CB 1.681 33.596 31.823 0.152 0.000 0.992 391 V HN 0.860 nan 8.190 nan 0.000 0.428 392 R N 3.155 123.722 120.500 0.111 0.000 2.404 392 R HA 0.707 5.048 4.340 0.003 0.000 0.291 392 R C -1.530 174.840 176.300 0.116 0.000 1.025 392 R CA -0.733 55.422 56.100 0.093 0.000 0.991 392 R CB 1.342 31.705 30.300 0.106 0.000 1.053 392 R HN 0.780 nan 8.270 nan 0.000 0.479 393 L N 3.445 124.716 121.223 0.080 0.000 2.318 393 L HA 0.283 4.624 4.340 0.003 0.000 0.277 393 L C -0.098 176.823 176.870 0.086 0.000 1.008 393 L CA 0.095 55.004 54.840 0.114 0.000 0.846 393 L CB 1.643 43.765 42.059 0.104 0.000 1.220 393 L HN 0.572 nan 8.230 nan 0.000 0.423 394 E N 3.414 123.764 120.200 0.249 0.000 1.893 394 E HA 0.454 4.806 4.350 0.003 0.000 0.269 394 E C 0.702 177.520 176.600 0.362 0.000 1.129 394 E CA 0.378 56.961 56.400 0.304 0.000 0.904 394 E CB 0.281 30.330 29.700 0.581 0.000 1.077 394 E HN 0.772 nan 8.360 nan 0.000 0.407 395 G N 3.663 112.539 108.800 0.128 0.000 2.598 395 G HA2 -0.345 3.617 3.960 0.003 0.000 0.244 395 G HA3 -0.345 3.617 3.960 0.003 0.000 0.244 395 G C -0.138 174.908 174.900 0.243 0.000 1.302 395 G CA 0.049 45.201 45.100 0.087 0.000 0.903 395 G HN 0.913 nan 8.290 nan 0.000 0.575 396 H N -1.779 117.339 119.070 0.080 0.000 2.690 396 H HA -0.163 4.395 4.556 0.003 0.000 0.309 396 H C 1.083 176.504 175.328 0.156 0.000 1.138 396 H CA 0.933 57.023 56.048 0.070 0.000 1.142 396 H CB -2.015 27.731 29.762 -0.027 0.000 1.410 396 H HN 0.765 nan 8.280 nan 0.000 0.409 397 I N 1.021 121.778 120.570 0.313 0.000 2.581 397 I HA -0.020 4.152 4.170 0.003 0.000 0.285 397 I C 1.133 177.408 176.117 0.263 0.000 1.129 397 I CA 0.271 61.706 61.300 0.224 0.000 1.397 397 I CB 0.346 38.360 38.000 0.025 0.000 1.399 397 I HN 0.202 nan 8.210 nan 0.000 0.537 398 E N 7.748 128.037 120.200 0.148 0.000 2.408 398 E HA 0.206 4.558 4.350 0.003 0.000 0.259 398 E C -2.073 174.606 176.600 0.133 0.000 1.110 398 E CA -1.452 54.961 56.400 0.022 0.000 0.929 398 E CB 0.184 29.613 29.700 -0.452 0.000 0.971 398 E HN 0.312 nan 8.360 nan 0.000 0.438 399 P HA -0.050 nan 4.420 nan 0.000 0.270 399 P C 0.241 177.565 177.300 0.039 0.000 1.227 399 P CA -0.030 62.969 63.100 -0.168 0.000 0.788 399 P CB 0.434 31.755 31.700 -0.630 0.000 0.926 400 D N 0.916 121.346 120.400 0.050 0.000 2.170 400 D HA -0.210 4.432 4.640 0.003 0.000 0.193 400 D C 1.535 177.944 176.300 0.182 0.000 1.004 400 D CA 1.684 55.760 54.000 0.127 0.000 0.860 400 D CB -0.428 40.450 40.800 0.130 0.000 0.931 400 D HN 0.516 nan 8.370 nan 0.000 0.448 401 E N -0.279 120.012 120.200 0.152 0.000 2.130 401 E HA -0.162 4.189 4.350 0.003 0.000 0.196 401 E C 1.805 178.595 176.600 0.316 0.000 0.998 401 E CA 0.539 57.102 56.400 0.272 0.000 0.806 401 E CB -0.402 29.566 29.700 0.447 0.000 0.738 401 E HN 0.351 nan 8.360 nan 0.000 0.459 402 F N -0.099 119.957 119.950 0.177 0.000 2.126 402 F HA -0.221 4.307 4.527 0.003 0.000 0.299 402 F C 1.596 177.273 175.800 -0.204 0.000 1.096 402 F CA 1.473 59.496 58.000 0.038 0.000 1.255 402 F CB -0.201 38.742 39.000 -0.094 0.000 0.997 402 F HN -0.017 nan 8.300 nan 0.000 0.479 403 F N 0.576 120.463 119.950 -0.105 0.000 2.259 403 F HA -0.126 4.402 4.527 0.003 0.000 0.298 403 F C 2.304 177.980 175.800 -0.207 0.000 1.088 403 F CA 1.173 58.968 58.000 -0.342 0.000 1.358 403 F CB -0.796 37.818 39.000 -0.643 0.000 1.040 403 F HN -0.076 nan 8.300 nan 0.000 0.505 404 D N 0.734 121.202 120.400 0.114 0.000 2.116 404 D HA -0.200 4.442 4.640 0.003 0.000 0.193 404 D C 2.336 178.685 176.300 0.082 0.000 0.998 404 D CA 1.563 55.682 54.000 0.198 0.000 0.836 404 D CB -0.434 40.488 40.800 0.203 0.000 0.951 404 D HN 0.267 nan 8.370 nan 0.000 0.449 405 I N 1.052 121.616 120.570 -0.011 0.000 2.252 405 I HA -0.208 3.963 4.170 0.003 0.000 0.245 405 I C 2.546 178.593 176.117 -0.117 0.000 1.102 405 I CA 0.918 62.180 61.300 -0.063 0.000 1.385 405 I CB -0.208 37.738 38.000 -0.090 0.000 1.064 405 I HN -0.091 nan 8.210 nan 0.000 0.414 406 A N 0.705 123.364 122.820 -0.267 0.000 1.883 406 A HA -0.264 4.058 4.320 0.003 0.000 0.217 406 A C 1.972 179.595 177.584 0.065 0.000 1.186 406 A CA 2.202 54.116 52.037 -0.205 0.000 0.624 406 A CB -0.701 18.064 19.000 -0.391 0.000 0.822 406 A HN 0.351 nan 8.150 nan 0.000 0.444 407 D N 0.287 120.752 120.400 0.107 0.000 2.116 407 D HA -0.152 4.490 4.640 0.003 0.000 0.193 407 D C 1.376 177.922 176.300 0.409 0.000 0.998 407 D CA 1.653 55.808 54.000 0.258 0.000 0.836 407 D CB -0.468 40.424 40.800 0.152 0.000 0.951 407 D HN 0.412 nan 8.370 nan 0.000 0.449 408 D N -0.164 120.350 120.400 0.190 0.000 2.144 408 D HA -0.047 4.594 4.640 0.003 0.000 0.200 408 D C 2.168 178.509 176.300 0.067 0.000 0.978 408 D CA 0.407 54.474 54.000 0.112 0.000 0.833 408 D CB -0.147 40.679 40.800 0.043 0.000 0.961 408 D HN 0.244 nan 8.370 nan 0.000 0.470 409 L N -0.862 120.396 121.223 0.058 0.000 2.446 409 L HA 0.189 4.531 4.340 0.003 0.000 0.219 409 L C 1.313 178.187 176.870 0.007 0.000 1.116 409 L CA 0.439 55.284 54.840 0.009 0.000 0.844 409 L CB 0.057 42.108 42.059 -0.015 0.000 0.970 409 L HN 0.120 nan 8.230 nan 0.000 0.457 410 G N 0.695 109.559 108.800 0.108 0.000 2.149 410 G HA2 -0.224 3.738 3.960 0.003 0.000 0.235 410 G HA3 -0.224 3.738 3.960 0.003 0.000 0.235 410 G C -0.008 174.969 174.900 0.128 0.000 1.018 410 G CA -0.046 45.085 45.100 0.051 0.000 0.728 410 G HN 0.084 nan 8.290 nan 0.000 0.508 411 V N 1.823 121.824 119.914 0.145 0.000 2.385 411 V HA 0.415 4.537 4.120 0.003 0.000 0.269 411 V C 1.175 177.344 176.094 0.125 0.000 1.043 411 V CA -0.568 61.777 62.300 0.075 0.000 0.906 411 V CB 1.306 33.112 31.823 -0.029 0.000 0.995 411 V HN 0.358 nan 8.190 nan 0.000 0.467 412 L N 5.732 127.036 121.223 0.134 0.000 2.410 412 L HA 0.332 4.674 4.340 0.003 0.000 0.273 412 L C 0.842 177.741 176.870 0.048 0.000 1.144 412 L CA 0.109 55.021 54.840 0.119 0.000 0.863 412 L CB 0.689 42.806 42.059 0.097 0.000 1.140 412 L HN 0.776 nan 8.230 nan 0.000 0.463 413 T N 0.775 115.364 114.554 0.059 0.000 2.925 413 T HA 0.635 4.986 4.350 0.003 0.000 0.285 413 T C -0.126 174.634 174.700 0.100 0.000 1.021 413 T CA -0.865 61.286 62.100 0.085 0.000 1.042 413 T CB 1.880 70.844 68.868 0.160 0.000 1.037 413 T HN 0.526 nan 8.240 nan 0.000 0.481 414 M N 3.150 122.804 119.600 0.091 0.000 2.746 414 M HA 0.286 4.767 4.480 0.003 0.000 0.209 414 M C -2.547 173.752 176.300 -0.001 0.000 1.077 414 M CA -1.984 53.350 55.300 0.058 0.000 0.695 414 M CB 1.523 34.145 32.600 0.036 0.000 1.416 414 M HN 0.486 nan 8.290 nan 0.000 0.459 415 P HA 0.419 nan 4.420 nan 0.000 0.270 415 P C -0.023 176.785 177.300 -0.820 0.000 1.223 415 P CA 0.333 63.281 63.100 -0.254 0.000 0.785 415 P CB 1.255 32.871 31.700 -0.140 0.000 0.923 416 G N 0.116 108.276 108.800 -1.067 0.000 2.368 416 G HA2 0.314 4.276 3.960 0.003 0.000 0.293 416 G HA3 0.314 4.276 3.960 0.003 0.000 0.293 416 G C -1.851 172.495 174.900 -0.923 0.000 1.467 416 G CA -1.008 43.190 45.100 -1.504 0.000 0.804 416 G HN 0.367 nan 8.290 nan 0.000 0.535 417 W N 0.871 121.837 121.300 -0.557 0.000 2.112 417 W HA 0.449 5.111 4.660 0.003 0.000 0.349 417 W C 1.234 177.578 176.519 -0.291 0.000 1.289 417 W CA -0.476 56.550 57.345 -0.532 0.000 1.256 417 W CB 0.681 29.866 29.460 -0.459 0.000 1.148 417 W HN 0.687 nan 8.180 nan 0.000 0.590 418 E N 1.025 121.224 120.200 -0.000 0.000 2.250 418 E HA 0.431 4.782 4.350 0.003 0.000 0.265 418 E C 0.099 176.794 176.600 0.158 0.000 1.033 418 E CA -0.932 55.513 56.400 0.075 0.000 0.888 418 E CB 1.087 30.795 29.700 0.014 0.000 1.151 418 E HN 0.555 nan 8.360 nan 0.000 0.412 419 C N -0.691 118.699 119.300 0.151 0.000 2.478 419 C HA 0.462 4.923 4.460 0.003 0.000 0.379 419 C C 1.116 176.191 174.990 0.141 0.000 1.470 419 C CA 0.033 59.153 59.018 0.171 0.000 2.066 419 C CB -0.355 27.474 27.740 0.149 0.000 2.001 419 C HN 1.057 nan 8.230 nan 0.000 0.550 420 C N 1.118 120.500 119.300 0.137 0.000 4.326 420 C HA -0.062 4.399 4.460 0.003 0.000 0.284 420 C C 0.033 175.062 174.990 0.065 0.000 1.419 420 C CA 1.429 60.500 59.018 0.088 0.000 1.920 420 C CB -3.630 24.155 27.740 0.075 0.000 1.306 420 C HN 1.199 nan 8.230 nan 0.000 0.786 421 D N -1.972 118.485 120.400 0.095 0.000 3.236 421 D HA 0.420 5.061 4.640 0.003 0.000 0.325 421 D C 0.560 176.928 176.300 0.112 0.000 1.352 421 D CA -0.160 53.887 54.000 0.077 0.000 0.979 421 D CB -0.035 40.797 40.800 0.054 0.000 1.410 421 D HN -0.162 nan 8.370 nan 0.000 0.588 422 K N -0.420 120.015 120.400 0.058 0.000 2.127 422 K HA -0.121 4.201 4.320 0.003 0.000 0.208 422 K C 1.687 178.382 176.600 0.159 0.000 1.047 422 K CA 1.906 58.199 56.287 0.010 0.000 0.927 422 K CB -0.683 31.686 32.500 -0.219 0.000 0.716 422 K HN 0.544 nan 8.250 nan 0.000 0.450 423 W N 1.030 122.412 121.300 0.137 0.000 2.350 423 W HA -0.116 4.546 4.660 0.003 0.000 0.289 423 W C 1.360 178.025 176.519 0.243 0.000 1.215 423 W CA 1.480 58.953 57.345 0.214 0.000 1.236 423 W CB 0.087 29.601 29.460 0.091 0.000 1.130 423 W HN 0.226 nan 8.180 nan 0.000 0.541 424 E N -1.198 119.195 120.200 0.323 0.000 2.583 424 E HA 0.115 4.467 4.350 0.003 0.000 0.213 424 E C 2.136 178.706 176.600 -0.050 0.000 0.989 424 E CA 0.247 56.722 56.400 0.125 0.000 0.991 424 E CB 0.288 30.096 29.700 0.179 0.000 1.040 424 E HN 0.246 nan 8.360 nan 0.000 0.481 425 G N 1.592 110.410 108.800 0.031 0.000 2.470 425 G HA2 -0.307 3.655 3.960 0.003 0.000 0.220 425 G HA3 -0.307 3.655 3.960 0.003 0.000 0.220 425 G C 1.589 176.397 174.900 -0.152 0.000 1.121 425 G CA 0.582 45.672 45.100 -0.018 0.000 0.766 425 G HN 0.109 nan 8.290 nan 0.000 0.553 426 Q N 0.277 119.837 119.800 -0.400 0.000 2.311 426 Q HA 0.041 4.383 4.340 0.003 0.000 0.203 426 Q C 2.173 177.967 176.000 -0.343 0.000 0.954 426 Q CA 1.464 56.983 55.803 -0.473 0.000 0.885 426 Q CB 0.098 28.264 28.738 -0.954 0.000 0.963 426 Q HN 0.494 nan 8.270 nan 0.000 0.471 427 V N -2.906 116.797 119.914 -0.352 0.000 3.451 427 V HA 0.236 4.358 4.120 0.003 0.000 0.288 427 V C 0.817 176.546 176.094 -0.608 0.000 1.502 427 V CA 0.518 62.617 62.300 -0.334 0.000 1.026 427 V CB -0.627 31.072 31.823 -0.207 0.000 0.840 427 V HN 0.476 nan 8.190 nan 0.000 0.437 428 N N 0.767 119.046 118.700 -0.701 0.000 2.270 428 N HA 0.319 5.061 4.740 0.003 0.000 0.198 428 N C 1.405 176.526 175.510 -0.649 0.000 1.117 428 N CA 0.529 52.865 53.050 -1.190 0.000 0.845 428 N CB 0.861 38.871 38.487 -0.795 0.000 0.980 428 N HN 0.600 nan 8.380 nan 0.000 0.486 429 G N 2.916 111.484 108.800 -0.386 0.000 2.698 429 G HA2 -0.475 3.487 3.960 0.003 0.000 0.337 429 G HA3 -0.475 3.487 3.960 0.003 0.000 0.337 429 G C 0.737 175.555 174.900 -0.137 0.000 1.196 429 G CA 1.222 46.200 45.100 -0.203 0.000 0.965 429 G HN 0.472 nan 8.290 nan 0.000 0.550 430 E N 1.642 121.785 120.200 -0.094 0.000 2.285 430 E HA 0.291 4.643 4.350 0.003 0.000 0.194 430 E C 1.260 177.831 176.600 -0.047 0.000 0.997 430 E CA 0.941 57.311 56.400 -0.050 0.000 0.845 430 E CB -0.022 29.665 29.700 -0.021 0.000 0.782 430 E HN 0.638 nan 8.360 nan 0.000 0.491 431 E N 2.137 122.298 120.200 -0.066 0.000 2.415 431 E HA -0.035 4.317 4.350 0.003 0.000 0.262 431 E C -0.303 176.274 176.600 -0.038 0.000 1.038 431 E CA -0.287 56.090 56.400 -0.037 0.000 0.921 431 E CB 0.491 30.187 29.700 -0.006 0.000 0.950 431 E HN -0.217 nan 8.360 nan 0.000 0.438 432 K N 2.198 122.592 120.400 -0.009 0.000 2.518 432 K HA 0.375 4.697 4.320 0.003 0.000 0.276 432 K C 0.316 176.916 176.600 -0.001 0.000 0.974 432 K CA 0.906 57.192 56.287 -0.002 0.000 0.986 432 K CB -0.153 32.353 32.500 0.011 0.000 0.901 432 K HN 0.812 nan 8.250 nan 0.000 0.497 433 G N 1.849 110.648 108.800 -0.003 0.000 3.014 433 G HA2 -0.110 3.851 3.960 0.003 0.000 0.683 433 G HA3 -0.110 3.851 3.960 0.003 0.000 0.683 433 G C -1.110 173.793 174.900 0.004 0.000 1.271 433 G CA -0.907 44.197 45.100 0.007 0.000 0.843 433 G HN 0.469 nan 8.290 nan 0.000 0.612 434 E N 2.562 122.769 120.200 0.013 0.000 2.343 434 E HA 0.424 4.776 4.350 0.003 0.000 0.269 434 E C -1.988 174.663 176.600 0.086 0.000 1.047 434 E CA -1.491 54.921 56.400 0.020 0.000 0.874 434 E CB 1.112 30.808 29.700 -0.006 0.000 1.033 434 E HN 0.323 nan 8.360 nan 0.000 0.409 435 P HA -0.087 nan 4.420 nan 0.000 0.267 435 P C -1.071 176.361 177.300 0.220 0.000 1.200 435 P CA 0.146 63.300 63.100 0.089 0.000 0.772 435 P CB 0.368 32.086 31.700 0.030 0.000 0.855 436 W N 2.606 123.831 121.300 -0.125 0.000 2.315 436 W HA 0.341 5.003 4.660 0.003 0.000 0.316 436 W C 0.133 176.636 176.519 -0.026 0.000 1.211 436 W CA -0.436 56.802 57.345 -0.178 0.000 1.201 436 W CB 0.006 29.210 29.460 -0.427 0.000 1.184 436 W HN 0.132 nan 8.180 nan 0.000 0.544 437 V N 0.637 120.636 119.914 0.141 0.000 3.234 437 V HA 0.423 4.545 4.120 0.003 0.000 0.317 437 V C 1.162 177.399 176.094 0.239 0.000 1.081 437 V CA -0.574 61.813 62.300 0.146 0.000 1.037 437 V CB 1.247 33.091 31.823 0.035 0.000 1.148 437 V HN 0.547 nan 8.190 nan 0.000 0.453 438 E N 1.477 121.788 120.200 0.184 0.000 2.070 438 E HA -0.202 4.150 4.350 0.003 0.000 0.197 438 E C 2.366 179.064 176.600 0.163 0.000 1.004 438 E CA 2.208 58.719 56.400 0.185 0.000 0.805 438 E CB -0.704 29.023 29.700 0.044 0.000 0.744 438 E HN 1.039 nan 8.360 nan 0.000 0.451 439 S N 1.101 116.817 115.700 0.027 0.000 2.440 439 S HA -0.167 4.305 4.470 0.003 0.000 0.238 439 S C 1.445 175.961 174.600 -0.141 0.000 1.010 439 S CA 1.279 59.449 58.200 -0.051 0.000 0.972 439 S CB -0.144 63.004 63.200 -0.087 0.000 0.774 439 S HN 0.093 nan 8.310 nan 0.000 0.501 440 D N 1.030 121.291 120.400 -0.232 0.000 2.117 440 D HA -0.065 4.577 4.640 0.003 0.000 0.198 440 D C 1.687 177.642 176.300 -0.576 0.000 0.982 440 D CA 1.292 54.930 54.000 -0.602 0.000 0.828 440 D CB -0.541 39.640 40.800 -1.032 0.000 0.967 440 D HN 0.514 nan 8.370 nan 0.000 0.464 441 Y N 0.848 121.020 120.300 -0.213 0.000 2.040 441 Y HA -0.178 4.374 4.550 0.003 0.000 0.275 441 Y C -0.325 175.516 175.900 -0.098 0.000 1.171 441 Y CA 1.461 59.527 58.100 -0.057 0.000 1.123 441 Y CB -1.940 36.546 38.460 0.043 0.000 0.963 441 Y HN 0.176 nan 8.280 nan 0.000 0.493 442 P HA -0.148 nan 4.420 nan 0.000 0.218 442 P C 1.413 178.676 177.300 -0.062 0.000 1.149 442 P CA 1.619 64.713 63.100 -0.009 0.000 0.817 442 P CB -0.104 31.581 31.700 -0.024 0.000 0.785 443 I N -0.584 119.896 120.570 -0.150 0.000 2.202 443 I HA -0.226 3.946 4.170 0.003 0.000 0.242 443 I C 2.373 178.380 176.117 -0.183 0.000 1.091 443 I CA 1.430 62.617 61.300 -0.188 0.000 1.368 443 I CB -0.801 37.020 38.000 -0.298 0.000 1.058 443 I HN -0.091 nan 8.210 nan 0.000 0.410 444 A N 0.640 123.288 122.820 -0.287 0.000 1.877 444 A HA -0.264 4.058 4.320 0.003 0.000 0.216 444 A C 2.389 180.115 177.584 0.237 0.000 1.186 444 A CA 1.927 53.889 52.037 -0.124 0.000 0.620 444 A CB -0.542 18.352 19.000 -0.176 0.000 0.822 444 A HN 0.332 nan 8.150 nan 0.000 0.443 445 K N -0.389 120.108 120.400 0.161 0.000 2.002 445 K HA -0.100 4.222 4.320 0.003 0.000 0.209 445 K C 2.177 178.902 176.600 0.207 0.000 1.048 445 K CA 1.282 57.701 56.287 0.221 0.000 0.930 445 K CB -0.353 32.220 32.500 0.121 0.000 0.714 445 K HN 0.355 nan 8.250 nan 0.000 0.438 446 A N 0.545 123.429 122.820 0.108 0.000 1.972 446 A HA -0.139 4.182 4.320 0.003 0.000 0.219 446 A C 2.156 179.843 177.584 0.171 0.000 1.169 446 A CA 2.003 54.096 52.037 0.092 0.000 0.635 446 A CB -0.581 18.411 19.000 -0.013 0.000 0.810 446 A HN 0.366 nan 8.150 nan 0.000 0.446 447 S N -0.994 114.817 115.700 0.185 0.000 2.359 447 S HA -0.214 4.258 4.470 0.003 0.000 0.224 447 S C 2.010 176.803 174.600 0.322 0.000 1.035 447 S CA 1.973 60.343 58.200 0.282 0.000 1.018 447 S CB -0.335 63.068 63.200 0.337 0.000 0.876 447 S HN 0.622 nan 8.310 nan 0.000 0.448 448 M N 0.736 120.543 119.600 0.345 0.000 2.132 448 M HA 0.000 4.482 4.480 0.003 0.000 0.263 448 M C 1.670 177.955 176.300 -0.025 0.000 1.065 448 M CA 1.381 56.790 55.300 0.181 0.000 1.122 448 M CB -0.608 32.158 32.600 0.277 0.000 1.365 448 M HN 0.326 nan 8.290 nan 0.000 0.411 449 F N 0.016 119.948 119.950 -0.030 0.000 2.046 449 F HA -0.228 4.301 4.527 0.003 0.000 0.297 449 F C 2.206 177.936 175.800 -0.118 0.000 1.123 449 F CA 2.304 60.254 58.000 -0.083 0.000 1.199 449 F CB -0.801 38.171 39.000 -0.047 0.000 0.972 449 F HN 0.174 nan 8.300 nan 0.000 0.474 450 S N 0.276 116.035 115.700 0.098 0.000 2.365 450 S HA -0.222 4.249 4.470 0.003 0.000 0.225 450 S C 1.852 176.356 174.600 -0.160 0.000 1.039 450 S CA 1.521 59.709 58.200 -0.020 0.000 1.033 450 S CB -0.458 62.790 63.200 0.080 0.000 0.887 450 S HN 0.439 nan 8.310 nan 0.000 0.447 451 E N 1.397 121.500 120.200 -0.162 0.000 2.047 451 E HA -0.036 4.316 4.350 0.003 0.000 0.191 451 E C 2.444 178.751 176.600 -0.488 0.000 0.987 451 E CA 1.101 57.320 56.400 -0.303 0.000 0.799 451 E CB -0.612 28.868 29.700 -0.367 0.000 0.752 451 E HN 0.474 nan 8.360 nan 0.000 0.449 452 A N 1.378 123.803 122.820 -0.658 0.000 1.908 452 A HA -0.264 4.058 4.320 0.003 0.000 0.218 452 A C 2.153 179.508 177.584 -0.381 0.000 1.181 452 A CA 1.974 53.577 52.037 -0.724 0.000 0.627 452 A CB -0.579 17.996 19.000 -0.709 0.000 0.818 452 A HN 0.326 nan 8.150 nan 0.000 0.445 453 E N -0.556 119.343 120.200 -0.501 0.000 2.051 453 E HA -0.214 4.138 4.350 0.003 0.000 0.192 453 E C 2.344 178.801 176.600 -0.238 0.000 0.991 453 E CA 1.052 57.184 56.400 -0.447 0.000 0.799 453 E CB -0.120 29.238 29.700 -0.570 0.000 0.748 453 E HN 0.552 nan 8.360 nan 0.000 0.449 454 R N -0.218 120.162 120.500 -0.201 0.000 2.081 454 R HA -0.104 4.238 4.340 0.003 0.000 0.235 454 R C 2.397 178.674 176.300 -0.039 0.000 1.131 454 R CA 1.282 57.317 56.100 -0.109 0.000 0.960 454 R CB -0.106 30.113 30.300 -0.136 0.000 0.856 454 R HN 0.292 nan 8.270 nan 0.000 0.436 455 L N 0.075 121.239 121.223 -0.098 0.000 2.463 455 L HA 0.075 4.416 4.340 0.003 0.000 0.219 455 L C 2.397 179.349 176.870 0.136 0.000 1.088 455 L CA 0.090 54.912 54.840 -0.029 0.000 0.849 455 L CB -0.255 41.674 42.059 -0.216 0.000 1.012 455 L HN 0.133 nan 8.230 nan 0.000 0.468 456 R N 0.161 120.748 120.500 0.144 0.000 2.133 456 R HA -0.207 4.134 4.340 0.003 0.000 0.247 456 R C 0.307 176.580 176.300 -0.045 0.000 1.151 456 R CA 2.002 58.151 56.100 0.081 0.000 0.971 456 R CB -0.661 29.676 30.300 0.060 0.000 0.866 456 R HN 0.210 nan 8.270 nan 0.000 0.447 457 D N 0.259 120.620 120.400 -0.064 0.000 2.395 457 D HA 0.106 4.748 4.640 0.003 0.000 0.226 457 D C -0.555 175.591 176.300 -0.257 0.000 1.146 457 D CA 0.150 54.078 54.000 -0.119 0.000 0.830 457 D CB 0.059 40.808 40.800 -0.085 0.000 0.958 457 D HN 0.316 nan 8.370 nan 0.000 0.501 458 H N 0.843 119.867 119.070 -0.078 0.000 2.623 458 H HA 0.142 4.700 4.556 0.003 0.000 0.299 458 H C -1.479 173.696 175.328 -0.256 0.000 1.052 458 H CA -1.639 54.341 56.048 -0.114 0.000 1.231 458 H CB 1.767 31.511 29.762 -0.031 0.000 1.389 458 H HN -0.055 nan 8.280 nan 0.000 0.469 459 P HA -0.170 nan 4.420 nan 0.000 0.221 459 P C 1.452 178.181 177.300 -0.952 0.000 1.145 459 P CA 1.009 63.608 63.100 -0.836 0.000 0.795 459 P CB 0.298 31.043 31.700 -1.591 0.000 0.775 460 S N -1.225 114.125 115.700 -0.583 0.000 2.428 460 S HA -0.017 4.454 4.470 0.003 0.000 0.230 460 S C 1.048 175.623 174.600 -0.041 0.000 1.014 460 S CA 0.126 58.179 58.200 -0.244 0.000 0.957 460 S CB -1.352 61.843 63.200 -0.008 0.000 0.784 460 S HN -0.074 nan 8.310 nan 0.000 0.499 461 V N 3.783 123.704 119.914 0.013 0.000 2.529 461 V HA 0.149 4.271 4.120 0.003 0.000 0.292 461 V C 1.296 177.413 176.094 0.038 0.000 1.028 461 V CA 0.242 62.600 62.300 0.096 0.000 1.074 461 V CB 0.362 32.266 31.823 0.134 0.000 0.958 461 V HN 0.638 nan 8.190 nan 0.000 0.481 462 I N 1.966 122.581 120.570 0.075 0.000 4.187 462 I HA 0.383 4.555 4.170 0.003 0.000 0.326 462 I C 0.686 176.929 176.117 0.211 0.000 1.302 462 I CA 0.195 61.556 61.300 0.102 0.000 1.196 462 I CB 0.541 38.558 38.000 0.028 0.000 1.095 462 I HN 0.666 nan 8.210 nan 0.000 0.411 463 S N -0.165 115.660 115.700 0.209 0.000 2.656 463 S HA 0.551 5.023 4.470 0.003 0.000 0.265 463 S C -1.474 173.297 174.600 0.285 0.000 1.132 463 S CA -0.736 57.612 58.200 0.247 0.000 0.819 463 S CB 1.656 65.018 63.200 0.270 0.000 1.119 463 S HN 0.201 nan 8.310 nan 0.000 0.476 464 F N 1.448 121.452 119.950 0.090 0.000 2.539 464 F HA 0.476 5.004 4.527 0.003 0.000 0.318 464 F C -0.311 175.378 175.800 -0.185 0.000 1.135 464 F CA -0.408 57.546 58.000 -0.077 0.000 0.915 464 F CB 1.550 40.407 39.000 -0.238 0.000 1.176 464 F HN 0.758 nan 8.300 nan 0.000 0.440 465 H N 8.047 126.763 119.070 -0.590 0.000 2.911 465 H HA 0.221 4.778 4.556 0.003 0.000 0.273 465 H C 1.297 176.444 175.328 -0.301 0.000 1.157 465 H CA 0.281 56.119 56.048 -0.350 0.000 1.402 465 H CB 1.046 30.604 29.762 -0.339 0.000 1.463 465 H HN 0.776 nan 8.280 nan 0.000 0.475 466 I N 0.418 121.047 120.570 0.098 0.000 3.291 466 I HA 0.236 4.407 4.170 0.003 0.000 0.279 466 I C 0.838 177.199 176.117 0.407 0.000 1.294 466 I CA 0.166 61.626 61.300 0.267 0.000 1.428 466 I CB 0.455 38.661 38.000 0.343 0.000 1.070 466 I HN 0.287 nan 8.210 nan 0.000 0.478 467 G N -0.395 108.572 108.800 0.278 0.000 2.690 467 G HA2 0.472 4.434 3.960 0.003 0.000 0.293 467 G HA3 0.472 4.434 3.960 0.003 0.000 0.293 467 G C -0.618 174.426 174.900 0.239 0.000 1.399 467 G CA 0.121 45.393 45.100 0.287 0.000 0.890 467 G HN -0.011 nan 8.290 nan 0.000 0.485 468 S N -0.705 115.114 115.700 0.199 0.000 3.414 468 S HA 0.156 4.628 4.470 0.003 0.000 0.193 468 S C 1.268 175.914 174.600 0.077 0.000 0.825 468 S CA 0.968 59.234 58.200 0.111 0.000 0.837 468 S CB -0.008 63.250 63.200 0.097 0.000 0.940 468 S HN 0.443 nan 8.310 nan 0.000 0.639 469 D N 0.617 121.078 120.400 0.101 0.000 2.113 469 D HA 0.237 4.878 4.640 0.003 0.000 0.206 469 D C -0.057 176.196 176.300 -0.078 0.000 0.979 469 D CA 0.980 54.984 54.000 0.007 0.000 0.862 469 D CB -0.120 40.735 40.800 0.092 0.000 1.013 469 D HN 0.315 nan 8.370 nan 0.000 0.455 470 F N 0.411 120.393 119.950 0.053 0.000 2.399 470 F HA 0.555 5.084 4.527 0.003 0.000 0.334 470 F C 0.738 176.583 175.800 0.074 0.000 1.097 470 F CA -1.294 56.733 58.000 0.046 0.000 1.076 470 F CB 1.152 40.164 39.000 0.021 0.000 1.162 470 F HN -0.156 nan 8.300 nan 0.000 0.495 471 A N 3.967 126.922 122.820 0.225 0.000 2.351 471 A HA 0.542 4.864 4.320 0.003 0.000 0.257 471 A C -2.234 175.457 177.584 0.177 0.000 1.087 471 A CA -1.418 50.729 52.037 0.183 0.000 0.798 471 A CB -0.346 18.729 19.000 0.125 0.000 1.033 471 A HN 0.464 nan 8.150 nan 0.000 0.488 472 P HA 0.189 nan 4.420 nan 0.000 0.273 472 P C -0.890 176.437 177.300 0.045 0.000 1.250 472 P CA -0.164 62.998 63.100 0.104 0.000 0.793 472 P CB 0.351 32.163 31.700 0.186 0.000 1.011 473 D N -1.156 119.227 120.400 -0.029 0.000 2.466 473 D HA 0.172 4.814 4.640 0.003 0.000 0.262 473 D C 1.372 177.666 176.300 -0.010 0.000 1.177 473 D CA -0.709 53.277 54.000 -0.023 0.000 1.035 473 D CB 0.473 41.237 40.800 -0.060 0.000 1.105 473 D HN 0.276 nan 8.370 nan 0.000 0.551 474 R N -0.497 120.001 120.500 -0.004 0.000 2.096 474 R HA -0.190 4.152 4.340 0.003 0.000 0.240 474 R C 2.237 178.534 176.300 -0.004 0.000 1.139 474 R CA 1.539 57.641 56.100 0.002 0.000 0.952 474 R CB -0.090 30.209 30.300 -0.001 0.000 0.854 474 R HN 0.536 nan 8.270 nan 0.000 0.436 475 R N 0.299 120.792 120.500 -0.012 0.000 2.062 475 R HA -0.097 4.245 4.340 0.003 0.000 0.231 475 R C 2.322 178.627 176.300 0.008 0.000 1.136 475 R CA 1.893 57.991 56.100 -0.003 0.000 0.948 475 R CB -0.314 29.979 30.300 -0.012 0.000 0.845 475 R HN 0.274 nan 8.270 nan 0.000 0.430 476 I N 0.829 121.384 120.570 -0.025 0.000 2.163 476 I HA -0.293 3.879 4.170 0.003 0.000 0.243 476 I C 2.598 178.537 176.117 -0.296 0.000 1.085 476 I CA 1.738 62.923 61.300 -0.192 0.000 1.347 476 I CB -0.459 37.328 38.000 -0.356 0.000 1.044 476 I HN 0.400 nan 8.210 nan 0.000 0.408 477 E N 0.850 121.001 120.200 -0.081 0.000 2.049 477 E HA -0.362 3.989 4.350 0.003 0.000 0.198 477 E C 2.193 178.833 176.600 0.067 0.000 1.007 477 E CA 1.781 58.220 56.400 0.065 0.000 0.809 477 E CB -0.119 29.639 29.700 0.096 0.000 0.749 477 E HN 0.302 nan 8.360 nan 0.000 0.450 478 Q N 0.254 120.072 119.800 0.031 0.000 2.096 478 Q HA -0.156 4.185 4.340 0.003 0.000 0.208 478 Q C 2.062 178.095 176.000 0.054 0.000 0.993 478 Q CA 2.435 58.263 55.803 0.041 0.000 0.862 478 Q CB -1.100 27.651 28.738 0.020 0.000 0.915 478 Q HN 0.418 nan 8.270 nan 0.000 0.416 479 G N -1.259 107.551 108.800 0.017 0.000 2.440 479 G HA2 -0.264 3.698 3.960 0.003 0.000 0.218 479 G HA3 -0.264 3.698 3.960 0.003 0.000 0.218 479 G C 0.984 175.974 174.900 0.150 0.000 1.154 479 G CA 1.038 46.163 45.100 0.043 0.000 0.767 479 G HN 0.387 nan 8.290 nan 0.000 0.552 480 Y N 0.627 121.020 120.300 0.155 0.000 2.181 480 Y HA 0.052 4.604 4.550 0.003 0.000 0.288 480 Y C 2.808 178.758 175.900 0.083 0.000 1.146 480 Y CA 0.307 58.494 58.100 0.146 0.000 1.164 480 Y CB -0.846 37.741 38.460 0.213 0.000 0.982 480 Y HN 0.085 nan 8.280 nan 0.000 0.515 481 L N -0.535 120.832 121.223 0.241 0.000 2.141 481 L HA -0.192 4.149 4.340 0.003 0.000 0.209 481 L C 1.927 178.873 176.870 0.126 0.000 1.094 481 L CA 1.230 56.163 54.840 0.156 0.000 0.763 481 L CB -0.427 41.706 42.059 0.124 0.000 0.908 481 L HN 0.101 nan 8.230 nan 0.000 0.437 482 D N 0.138 120.611 120.400 0.121 0.000 2.144 482 D HA -0.111 4.531 4.640 0.003 0.000 0.200 482 D C 2.241 178.620 176.300 0.132 0.000 0.978 482 D CA 1.405 55.468 54.000 0.104 0.000 0.833 482 D CB 0.029 40.876 40.800 0.078 0.000 0.961 482 D HN 0.290 nan 8.370 nan 0.000 0.470 483 A N 0.672 123.592 122.820 0.167 0.000 1.873 483 A HA -0.145 4.177 4.320 0.003 0.000 0.215 483 A C 2.286 179.968 177.584 0.164 0.000 1.186 483 A CA 1.269 53.440 52.037 0.223 0.000 0.616 483 A CB -0.576 18.574 19.000 0.250 0.000 0.823 483 A HN 0.116 nan 8.150 nan 0.000 0.442 484 M N -0.784 118.858 119.600 0.070 0.000 2.080 484 M HA -0.208 4.274 4.480 0.003 0.000 0.260 484 M C 2.289 178.655 176.300 0.109 0.000 1.068 484 M CA 2.270 57.591 55.300 0.034 0.000 1.109 484 M CB -0.314 32.321 32.600 0.058 0.000 1.342 484 M HN 0.491 nan 8.290 nan 0.000 0.405 485 K N 0.450 120.917 120.400 0.113 0.000 2.063 485 K HA -0.166 4.156 4.320 0.003 0.000 0.208 485 K C 1.855 178.518 176.600 0.106 0.000 1.048 485 K CA 1.678 58.024 56.287 0.098 0.000 0.928 485 K CB -0.184 32.366 32.500 0.083 0.000 0.713 485 K HN 0.303 nan 8.250 nan 0.000 0.442 486 A N 0.552 123.457 122.820 0.143 0.000 1.972 486 A HA -0.045 4.277 4.320 0.003 0.000 0.219 486 A C 2.111 179.815 177.584 0.200 0.000 1.169 486 A CA 1.721 53.877 52.037 0.198 0.000 0.635 486 A CB -0.603 18.560 19.000 0.270 0.000 0.810 486 A HN 0.467 nan 8.150 nan 0.000 0.446 487 A N -1.041 121.819 122.820 0.067 0.000 2.278 487 A HA 0.275 4.597 4.320 0.003 0.000 0.212 487 A C 0.402 177.935 177.584 -0.086 0.000 1.213 487 A CA 0.668 52.589 52.037 -0.193 0.000 0.840 487 A CB -0.266 18.449 19.000 -0.474 0.000 0.866 487 A HN 0.433 nan 8.150 nan 0.000 0.489 488 D N -1.878 118.548 120.400 0.042 0.000 2.811 488 D HA -0.218 4.423 4.640 0.003 0.000 0.231 488 D C -0.245 176.081 176.300 0.043 0.000 1.157 488 D CA 0.846 54.888 54.000 0.069 0.000 0.716 488 D CB -1.698 39.189 40.800 0.146 0.000 1.077 488 D HN 0.556 nan 8.370 nan 0.000 0.428 489 F N 0.822 120.714 119.950 -0.096 0.000 2.468 489 F HA 0.203 4.732 4.527 0.003 0.000 0.356 489 F C 1.167 176.925 175.800 -0.070 0.000 1.167 489 F CA -0.132 57.800 58.000 -0.114 0.000 1.135 489 F CB 0.214 39.104 39.000 -0.183 0.000 1.197 489 F HN -0.043 nan 8.300 nan 0.000 0.569 490 L N 6.274 127.217 121.223 -0.466 0.000 2.640 490 L HA 0.204 4.545 4.340 0.003 0.000 0.230 490 L C 0.217 176.887 176.870 -0.335 0.000 1.123 490 L CA -0.124 54.547 54.840 -0.282 0.000 0.900 490 L CB -0.235 41.716 42.059 -0.181 0.000 1.146 490 L HN 0.438 nan 8.230 nan 0.000 0.484 491 L N 0.211 121.054 121.223 -0.634 0.000 2.464 491 L HA 0.238 4.580 4.340 0.003 0.000 0.264 491 L C -1.886 174.921 176.870 -0.106 0.000 1.199 491 L CA -2.028 52.593 54.840 -0.365 0.000 0.818 491 L CB -0.505 41.289 42.059 -0.442 0.000 1.102 491 L HN -0.218 nan 8.230 nan 0.000 0.473 492 P HA -0.066 nan 4.420 nan 0.000 0.259 492 P C -0.842 176.498 177.300 0.067 0.000 1.163 492 P CA 0.214 63.314 63.100 -0.000 0.000 0.760 492 P CB 0.266 31.947 31.700 -0.032 0.000 0.762 493 V N 5.905 125.848 119.914 0.048 0.000 2.407 493 V HA 0.275 4.396 4.120 0.003 0.000 0.278 493 V C 0.397 176.460 176.094 -0.052 0.000 1.037 493 V CA -0.351 61.985 62.300 0.061 0.000 0.900 493 V CB 1.043 32.924 31.823 0.097 0.000 0.983 493 V HN 0.354 nan 8.190 nan 0.000 0.459 494 I N 8.013 128.486 120.570 -0.163 0.000 2.362 494 I HA 0.354 4.526 4.170 0.003 0.000 0.289 494 I C -1.334 174.654 176.117 -0.215 0.000 0.994 494 I CA -2.416 58.691 61.300 -0.323 0.000 1.158 494 I CB 1.979 39.511 38.000 -0.780 0.000 1.315 494 I HN 0.383 nan 8.210 nan 0.000 0.451 495 P HA -0.000 nan 4.420 nan 0.000 0.217 495 P C 0.222 177.565 177.300 0.072 0.000 1.151 495 P CA 1.029 64.143 63.100 0.023 0.000 0.828 495 P CB 0.921 32.639 31.700 0.030 0.000 0.788 496 A N -1.692 121.165 122.820 0.062 0.000 2.601 496 A HA 0.641 4.962 4.320 0.003 0.000 0.291 496 A C 0.374 178.095 177.584 0.228 0.000 1.075 496 A CA 0.025 52.156 52.037 0.156 0.000 0.671 496 A CB 0.435 19.486 19.000 0.085 0.000 1.277 496 A HN -0.063 nan 8.150 nan 0.000 0.417 497 A N 0.089 123.018 122.820 0.182 0.000 2.218 497 A HA 0.470 4.792 4.320 0.003 0.000 0.209 497 A C 1.243 178.846 177.584 0.032 0.000 1.168 497 A CA 1.357 53.443 52.037 0.081 0.000 0.804 497 A CB -0.636 18.297 19.000 -0.112 0.000 0.834 497 A HN 1.858 nan 8.150 nan 0.000 0.482 498 S N -1.784 113.925 115.700 0.015 0.000 2.745 498 S HA 0.646 5.118 4.470 0.003 0.000 0.292 498 S C 0.993 175.592 174.600 -0.003 0.000 1.127 498 S CA -0.032 58.157 58.200 -0.018 0.000 1.007 498 S CB 1.345 64.496 63.200 -0.081 0.000 1.165 498 S HN 0.744 nan 8.310 nan 0.000 0.544 499 A N -0.135 122.680 122.820 -0.008 0.000 2.235 499 A HA 0.177 4.499 4.320 0.003 0.000 0.208 499 A C 0.968 178.554 177.584 0.003 0.000 1.172 499 A CA -0.028 52.016 52.037 0.012 0.000 0.786 499 A CB -0.553 18.467 19.000 0.034 0.000 0.804 499 A HN 0.653 nan 8.150 nan 0.000 0.479 500 R N 1.237 121.724 120.500 -0.022 0.000 2.401 500 R HA 0.235 4.577 4.340 0.003 0.000 0.299 500 R C -2.627 173.684 176.300 0.019 0.000 1.064 500 R CA -1.364 54.727 56.100 -0.015 0.000 1.000 500 R CB 0.355 30.618 30.300 -0.061 0.000 0.973 500 R HN 0.258 nan 8.270 nan 0.000 0.438 501 P HA 0.071 nan 4.420 nan 0.000 0.284 501 P C -0.637 176.691 177.300 0.047 0.000 1.258 501 P CA -0.551 62.569 63.100 0.032 0.000 0.824 501 P CB 1.414 33.130 31.700 0.028 0.000 1.038 502 S N 1.406 117.135 115.700 0.048 0.000 2.585 502 S HA 0.397 4.868 4.470 0.003 0.000 0.277 502 S C -1.829 172.799 174.600 0.047 0.000 1.241 502 S CA -1.313 56.924 58.200 0.061 0.000 1.041 502 S CB 0.706 63.952 63.200 0.077 0.000 0.987 502 S HN 0.191 nan 8.310 nan 0.000 0.512 503 P HA -0.048 nan 4.420 nan 0.000 0.218 503 P C 0.896 178.215 177.300 0.031 0.000 1.148 503 P CA 1.199 64.319 63.100 0.033 0.000 0.822 503 P CB 0.007 31.724 31.700 0.028 0.000 0.784 504 I N -2.576 118.018 120.570 0.039 0.000 2.899 504 I HA -0.054 4.118 4.170 0.003 0.000 0.257 504 I C 1.883 178.020 176.117 0.034 0.000 1.115 504 I CA 1.040 62.362 61.300 0.036 0.000 1.451 504 I CB -1.041 36.985 38.000 0.043 0.000 1.251 504 I HN -0.176 nan 8.210 nan 0.000 0.456 505 T N 0.502 115.081 114.554 0.042 0.000 2.904 505 T HA 0.179 4.530 4.350 0.003 0.000 0.267 505 T C 1.106 175.816 174.700 0.017 0.000 1.059 505 T CA 1.116 63.234 62.100 0.030 0.000 1.137 505 T CB -0.220 68.670 68.868 0.036 0.000 0.879 505 T HN 0.666 nan 8.240 nan 0.000 0.467 506 G N 1.099 109.912 108.800 0.021 0.000 2.516 506 G HA2 0.155 4.117 3.960 0.003 0.000 0.220 506 G HA3 0.155 4.117 3.960 0.003 0.000 0.220 506 G C -0.120 174.787 174.900 0.012 0.000 1.165 506 G CA -0.341 44.768 45.100 0.016 0.000 1.013 506 G HN 0.786 nan 8.290 nan 0.000 0.590 507 A N -0.007 122.817 122.820 0.006 0.000 2.407 507 A HA 0.687 5.009 4.320 0.003 0.000 0.248 507 A C 1.746 179.323 177.584 -0.011 0.000 1.082 507 A CA 1.360 53.400 52.037 0.005 0.000 0.785 507 A CB 0.700 19.706 19.000 0.010 0.000 1.020 507 A HN 2.315 nan 8.150 nan 0.000 0.489 508 S N 1.835 117.531 115.700 -0.008 0.000 2.348 508 S HA 0.295 4.767 4.470 0.003 0.000 0.219 508 S C 1.482 176.053 174.600 -0.049 0.000 1.033 508 S CA 1.200 59.382 58.200 -0.030 0.000 0.974 508 S CB -0.659 62.539 63.200 -0.003 0.000 0.868 508 S HN 2.632 nan 8.310 nan 0.000 0.459 509 G N 1.297 110.093 108.800 -0.006 0.000 2.132 509 G HA2 -0.182 3.780 3.960 0.003 0.000 0.234 509 G HA3 -0.182 3.780 3.960 0.003 0.000 0.234 509 G C -0.071 174.858 174.900 0.048 0.000 0.989 509 G CA 0.504 45.614 45.100 0.016 0.000 0.676 509 G HN 0.534 nan 8.290 nan 0.000 0.522 510 M N -0.987 118.639 119.600 0.043 0.000 2.719 510 M HA 0.666 5.148 4.480 0.003 0.000 0.291 510 M C -0.088 176.239 176.300 0.045 0.000 1.264 510 M CA -0.904 54.448 55.300 0.085 0.000 0.811 510 M CB 2.547 35.186 32.600 0.064 0.000 1.756 510 M HN 0.320 nan 8.290 nan 0.000 0.464 511 K N 0.552 120.967 120.400 0.024 0.000 2.536 511 K HA 0.759 5.081 4.320 0.003 0.000 0.269 511 K C -1.557 175.021 176.600 -0.038 0.000 0.965 511 K CA -0.858 55.405 56.287 -0.040 0.000 0.860 511 K CB 2.868 35.268 32.500 -0.166 0.000 1.423 511 K HN 0.810 nan 8.250 nan 0.000 0.438 512 M N 3.356 122.943 119.600 -0.022 0.000 3.432 512 M HA 0.276 4.758 4.480 0.003 0.000 0.390 512 M C -1.262 175.087 176.300 0.081 0.000 1.811 512 M CA -0.302 55.002 55.300 0.007 0.000 0.536 512 M CB 0.587 33.191 32.600 0.007 0.000 1.681 512 M HN 0.685 nan 8.290 nan 0.000 0.462 513 N N 1.097 119.826 118.700 0.047 0.000 2.235 513 N HA 0.293 5.035 4.740 0.003 0.000 0.209 513 N C 0.701 176.281 175.510 0.117 0.000 1.122 513 N CA 0.894 54.015 53.050 0.119 0.000 0.845 513 N CB 0.977 39.527 38.487 0.106 0.000 1.004 513 N HN 0.827 nan 8.380 nan 0.000 0.499 514 G N 1.945 110.729 108.800 -0.027 0.000 2.750 514 G HA2 -0.234 3.728 3.960 0.003 0.000 0.228 514 G HA3 -0.234 3.728 3.960 0.003 0.000 0.228 514 G C -2.820 171.899 174.900 -0.301 0.000 1.367 514 G CA -0.782 44.095 45.100 -0.371 0.000 0.871 514 G HN 0.134 nan 8.290 nan 0.000 0.560 515 P HA 0.430 nan 4.420 nan 0.000 0.277 515 P C -0.536 176.388 177.300 -0.627 0.000 1.271 515 P CA 0.087 62.950 63.100 -0.394 0.000 0.795 515 P CB 0.457 31.878 31.700 -0.464 0.000 1.101 516 Y N -2.539 117.813 120.300 0.085 0.000 2.610 516 Y HA 0.343 4.894 4.550 0.003 0.000 0.254 516 Y C 0.683 176.748 175.900 0.275 0.000 1.110 516 Y CA -0.119 58.002 58.100 0.034 0.000 1.238 516 Y CB 0.835 39.252 38.460 -0.070 0.000 1.322 516 Y HN 0.208 nan 8.280 nan 0.000 0.547 517 D N -1.618 119.023 120.400 0.402 0.000 2.732 517 D HA 0.117 4.758 4.640 0.003 0.000 0.292 517 D C -1.210 175.261 176.300 0.284 0.000 1.135 517 D CA -0.892 53.362 54.000 0.424 0.000 1.071 517 D CB 1.685 42.805 40.800 0.534 0.000 1.457 517 D HN -0.116 nan 8.370 nan 0.000 0.547 518 Y N 1.273 121.715 120.300 0.237 0.000 2.721 518 Y HA 0.208 4.760 4.550 0.003 0.000 0.329 518 Y C -0.009 175.963 175.900 0.121 0.000 1.211 518 Y CA 0.584 58.817 58.100 0.222 0.000 1.512 518 Y CB 0.115 38.742 38.460 0.278 0.000 1.249 518 Y HN 0.051 nan 8.280 nan 0.000 0.549 519 V N 5.501 125.128 119.914 -0.478 0.000 2.962 519 V HA 0.704 4.826 4.120 0.003 0.000 0.313 519 V C -2.803 172.945 176.094 -0.578 0.000 1.099 519 V CA -2.744 59.295 62.300 -0.434 0.000 0.971 519 V CB 1.865 33.157 31.823 -0.885 0.000 1.028 519 V HN 0.623 nan 8.190 nan 0.000 0.430 520 P HA 0.342 nan 4.420 nan 0.000 0.274 520 P C -2.407 174.899 177.300 0.011 0.000 1.246 520 P CA -1.560 61.570 63.100 0.049 0.000 0.795 520 P CB 0.505 32.308 31.700 0.172 0.000 1.006 521 P HA -0.151 nan 4.420 nan 0.000 0.216 521 P C 1.696 179.128 177.300 0.221 0.000 1.150 521 P CA 0.912 64.067 63.100 0.092 0.000 0.843 521 P CB -0.236 31.239 31.700 -0.375 0.000 0.787 522 V N -1.366 118.660 119.914 0.186 0.000 2.720 522 V HA -0.260 3.862 4.120 0.003 0.000 0.256 522 V C 2.153 178.413 176.094 0.276 0.000 1.082 522 V CA 1.416 63.892 62.300 0.293 0.000 1.101 522 V CB -1.304 30.640 31.823 0.202 0.000 0.693 522 V HN 0.043 nan 8.190 nan 0.000 0.479 523 Y N -0.040 120.242 120.300 -0.030 0.000 2.102 523 Y HA -0.332 4.219 4.550 0.003 0.000 0.280 523 Y C 1.968 177.835 175.900 -0.055 0.000 1.178 523 Y CA 2.593 60.584 58.100 -0.183 0.000 1.146 523 Y CB -0.470 37.653 38.460 -0.562 0.000 0.968 523 Y HN 0.424 nan 8.280 nan 0.000 0.504 524 W N -1.548 119.975 121.300 0.371 0.000 2.421 524 W HA -0.202 4.460 4.660 0.003 0.000 0.270 524 W C 1.557 178.056 176.519 -0.034 0.000 1.233 524 W CA 0.909 58.358 57.345 0.174 0.000 1.226 524 W CB -0.567 28.910 29.460 0.027 0.000 1.121 524 W HN 0.133 nan 8.180 nan 0.000 0.579 525 Y N -0.226 120.234 120.300 0.266 0.000 2.511 525 Y HA 0.006 4.558 4.550 0.003 0.000 0.279 525 Y C 0.966 176.928 175.900 0.104 0.000 1.157 525 Y CA 0.199 58.398 58.100 0.165 0.000 1.300 525 Y CB -0.501 38.050 38.460 0.150 0.000 1.052 525 Y HN -0.246 nan 8.280 nan 0.000 0.529 526 D N 0.622 121.141 120.400 0.198 0.000 2.414 526 D HA 0.061 4.703 4.640 0.003 0.000 0.242 526 D C 0.357 176.695 176.300 0.062 0.000 1.129 526 D CA 0.410 54.463 54.000 0.089 0.000 0.885 526 D CB 0.767 41.595 40.800 0.046 0.000 1.198 526 D HN 0.124 nan 8.370 nan 0.000 0.437 527 K N 1.046 121.390 120.400 -0.092 0.000 2.517 527 K HA 0.063 4.385 4.320 0.003 0.000 0.210 527 K C 1.129 177.441 176.600 -0.479 0.000 1.166 527 K CA 0.081 56.203 56.287 -0.276 0.000 1.030 527 K CB 0.656 33.044 32.500 -0.187 0.000 0.974 527 K HN 0.407 nan 8.250 nan 0.000 0.585 528 S N 0.284 115.741 115.700 -0.404 0.000 2.486 528 S HA 0.050 4.522 4.470 0.003 0.000 0.220 528 S C 0.774 175.076 174.600 -0.497 0.000 1.011 528 S CA 0.004 57.945 58.200 -0.432 0.000 0.921 528 S CB 0.105 63.076 63.200 -0.381 0.000 0.785 528 S HN 0.052 nan 8.310 nan 0.000 0.517 529 Q N 2.179 121.645 119.800 -0.557 0.000 2.456 529 Q HA 0.253 4.594 4.340 0.003 0.000 0.234 529 Q C 0.329 176.222 176.000 -0.178 0.000 1.061 529 Q CA -0.101 55.433 55.803 -0.448 0.000 0.896 529 Q CB 1.225 29.570 28.738 -0.654 0.000 1.233 529 Q HN 0.748 nan 8.270 nan 0.000 0.506 530 K N -0.067 120.212 120.400 -0.201 0.000 2.574 530 K HA -0.055 4.267 4.320 0.003 0.000 0.193 530 K C 0.033 176.782 176.600 0.248 0.000 1.035 530 K CA 0.843 57.081 56.287 -0.082 0.000 0.982 530 K CB 0.436 32.826 32.500 -0.184 0.000 0.795 530 K HN 0.133 nan 8.250 nan 0.000 0.491 531 D N 0.248 120.744 120.400 0.160 0.000 2.398 531 D HA 0.108 4.750 4.640 0.003 0.000 0.210 531 D C 0.191 176.612 176.300 0.202 0.000 1.094 531 D CA 0.086 54.188 54.000 0.170 0.000 0.839 531 D CB 0.518 41.378 40.800 0.100 0.000 0.963 531 D HN 0.079 nan 8.370 nan 0.000 0.506 532 R N -0.620 120.034 120.500 0.256 0.000 3.055 532 R HA 0.624 4.966 4.340 0.003 0.000 0.231 532 R C 0.999 177.438 176.300 0.231 0.000 1.443 532 R CA -0.809 55.446 56.100 0.258 0.000 1.063 532 R CB -0.194 30.267 30.300 0.269 0.000 1.514 532 R HN -0.112 nan 8.270 nan 0.000 0.510 533 G N -0.309 108.646 108.800 0.258 0.000 3.820 533 G HA2 0.254 4.215 3.960 0.003 0.000 0.293 533 G HA3 0.254 4.215 3.960 0.003 0.000 0.293 533 G C 0.374 175.432 174.900 0.264 0.000 1.152 533 G CA -0.070 45.139 45.100 0.182 0.000 0.921 533 G HN 0.539 nan 8.290 nan 0.000 0.544 534 G N -0.265 108.644 108.800 0.182 0.000 2.636 534 G HA2 0.445 4.407 3.960 0.003 0.000 0.246 534 G HA3 0.445 4.407 3.960 0.003 0.000 0.246 534 G C 0.661 175.557 174.900 -0.005 0.000 1.216 534 G CA 0.140 45.368 45.100 0.213 0.000 0.854 534 G HN 0.629 nan 8.290 nan 0.000 0.572 535 A N 2.084 124.818 122.820 -0.142 0.000 2.897 535 A HA 0.464 4.786 4.320 0.003 0.000 0.287 535 A C -0.109 177.424 177.584 -0.086 0.000 1.748 535 A CA -0.158 51.480 52.037 -0.664 0.000 1.397 535 A CB -1.113 17.377 19.000 -0.852 0.000 1.049 535 A HN 0.939 nan 8.150 nan 0.000 0.592 536 W N 0.060 121.284 121.300 -0.127 0.000 3.571 536 W HA 0.547 5.209 4.660 0.003 0.000 0.294 536 W C -0.268 176.280 176.519 0.049 0.000 1.257 536 W CA -0.150 57.180 57.345 -0.025 0.000 1.206 536 W CB -0.113 29.329 29.460 -0.030 0.000 1.325 536 W HN 1.069 nan 8.180 nan 0.000 0.546 537 S N 0.728 116.566 115.700 0.230 0.000 3.569 537 S HA -0.278 4.194 4.470 0.003 0.000 0.635 537 S C -1.003 173.649 174.600 0.088 0.000 2.396 537 S CA 0.683 58.961 58.200 0.131 0.000 2.612 537 S CB -1.165 62.036 63.200 0.002 0.000 0.331 537 S HN 0.885 nan 8.310 nan 0.000 1.764 538 F N 2.701 122.636 119.950 -0.025 0.000 2.334 538 F HA 0.485 5.013 4.527 0.003 0.000 0.367 538 F C 0.321 176.082 175.800 -0.065 0.000 1.115 538 F CA -0.679 57.326 58.000 0.009 0.000 1.116 538 F CB 0.657 39.699 39.000 0.071 0.000 1.230 538 F HN 0.474 nan 8.300 nan 0.000 0.484 539 N N 3.416 122.004 118.700 -0.185 0.000 2.555 539 N HA -0.007 4.735 4.740 0.003 0.000 0.244 539 N C 0.952 176.388 175.510 -0.123 0.000 1.114 539 N CA 0.195 53.151 53.050 -0.158 0.000 0.963 539 N CB 1.199 39.561 38.487 -0.209 0.000 1.276 539 N HN 0.710 nan 8.380 nan 0.000 0.510 540 S N 1.251 116.992 115.700 0.068 0.000 2.461 540 S HA 0.156 4.628 4.470 0.003 0.000 0.228 540 S C 0.615 175.149 174.600 -0.109 0.000 1.005 540 S CA 0.078 58.345 58.200 0.112 0.000 0.942 540 S CB 0.369 63.633 63.200 0.107 0.000 0.776 540 S HN 0.467 nan 8.310 nan 0.000 0.514 541 A N -0.102 122.571 122.820 -0.246 0.000 2.538 541 A HA 0.620 4.942 4.320 0.003 0.000 0.293 541 A C -0.436 176.871 177.584 -0.461 0.000 1.065 541 A CA -0.241 51.512 52.037 -0.474 0.000 0.936 541 A CB 0.800 19.106 19.000 -1.157 0.000 1.481 541 A HN 0.231 nan 8.150 nan 0.000 0.394 542 T N 0.609 114.931 114.554 -0.387 0.000 2.886 542 T HA 0.839 5.191 4.350 0.003 0.000 0.330 542 T C -0.843 173.598 174.700 -0.432 0.000 1.488 542 T CA 0.497 62.319 62.100 -0.464 0.000 1.054 542 T CB 1.407 70.115 68.868 -0.267 0.000 1.348 542 T HN 2.354 nan 8.240 nan 0.000 0.489 543 S N 1.289 116.810 115.700 -0.299 0.000 2.643 543 S HA 0.680 5.151 4.470 0.003 0.000 0.266 543 S C -0.157 174.502 174.600 0.097 0.000 1.130 543 S CA -0.152 57.898 58.200 -0.250 0.000 0.817 543 S CB 0.793 63.525 63.200 -0.781 0.000 1.107 543 S HN 1.371 nan 8.310 nan 0.000 0.471 544 A N 0.288 123.247 122.820 0.231 0.000 2.532 544 A HA 0.724 5.046 4.320 0.003 0.000 0.273 544 A C 1.597 179.349 177.584 0.281 0.000 1.342 544 A CA 0.771 52.926 52.037 0.197 0.000 0.929 544 A CB -1.606 17.465 19.000 0.119 0.000 1.051 544 A HN 2.576 nan 8.150 nan 0.000 0.521 545 G N -0.734 108.263 108.800 0.328 0.000 3.031 545 G HA2 -0.275 3.687 3.960 0.003 0.000 0.289 545 G HA3 -0.275 3.687 3.960 0.003 0.000 0.289 545 G C 0.327 175.397 174.900 0.283 0.000 1.393 545 G CA 0.025 45.396 45.100 0.451 0.000 1.010 545 G HN 0.898 nan 8.290 nan 0.000 0.579 546 V N 2.820 122.795 119.914 0.102 0.000 2.572 546 V HA 0.430 4.552 4.120 0.003 0.000 0.291 546 V C -0.261 175.692 176.094 -0.235 0.000 1.039 546 V CA 0.718 62.884 62.300 -0.223 0.000 1.055 546 V CB 1.488 32.880 31.823 -0.718 0.000 0.969 546 V HN 0.544 nan 8.190 nan 0.000 0.482 547 D N 4.590 124.899 120.400 -0.153 0.000 2.513 547 D HA 0.259 4.901 4.640 0.003 0.000 0.295 547 D C -0.100 176.140 176.300 -0.101 0.000 1.202 547 D CA -0.399 53.559 54.000 -0.070 0.000 0.849 547 D CB 0.949 41.773 40.800 0.039 0.000 1.116 547 D HN 0.268 nan 8.370 nan 0.000 0.502 548 I N 3.425 123.902 120.570 -0.154 0.000 2.828 548 I HA -0.030 4.142 4.170 0.003 0.000 0.292 548 I C -1.705 174.396 176.117 -0.028 0.000 1.206 548 I CA -0.814 60.442 61.300 -0.073 0.000 1.420 548 I CB -0.461 37.527 38.000 -0.020 0.000 1.368 548 I HN -0.028 nan 8.210 nan 0.000 0.556 549 P HA 0.117 nan 4.420 nan 0.000 0.275 549 P C -0.093 177.212 177.300 0.008 0.000 1.266 549 P CA -0.333 62.755 63.100 -0.020 0.000 0.793 549 P CB 0.195 31.867 31.700 -0.047 0.000 1.074 550 T N -2.411 112.150 114.554 0.013 0.000 2.855 550 T HA 0.021 4.373 4.350 0.003 0.000 0.314 550 T C 1.360 176.078 174.700 0.030 0.000 1.077 550 T CA -0.252 61.862 62.100 0.024 0.000 1.095 550 T CB -0.039 68.840 68.868 0.019 0.000 0.987 550 T HN 0.263 nan 8.240 nan 0.000 0.546 551 M N 1.287 120.904 119.600 0.028 0.000 2.108 551 M HA -0.060 4.421 4.480 0.003 0.000 0.261 551 M C 1.389 177.701 176.300 0.021 0.000 1.066 551 M CA 1.918 57.233 55.300 0.024 0.000 1.107 551 M CB -1.162 31.445 32.600 0.011 0.000 1.356 551 M HN 0.816 nan 8.290 nan 0.000 0.406 552 D N -1.074 119.335 120.400 0.015 0.000 2.104 552 D HA -0.163 4.478 4.640 0.003 0.000 0.194 552 D C 1.816 178.128 176.300 0.020 0.000 0.994 552 D CA 2.092 56.094 54.000 0.003 0.000 0.830 552 D CB -0.726 40.069 40.800 -0.008 0.000 0.959 552 D HN 0.377 nan 8.370 nan 0.000 0.452 553 T N 0.664 115.254 114.554 0.061 0.000 2.708 553 T HA -0.084 4.268 4.350 0.003 0.000 0.266 553 T C 2.080 176.836 174.700 0.093 0.000 1.037 553 T CA 0.606 62.792 62.100 0.143 0.000 1.146 553 T CB -0.460 68.503 68.868 0.158 0.000 0.865 553 T HN 0.099 nan 8.240 nan 0.000 0.435 554 L N 0.622 121.869 121.223 0.040 0.000 2.021 554 L HA -0.185 4.157 4.340 0.003 0.000 0.215 554 L C 2.612 179.507 176.870 0.041 0.000 1.074 554 L CA 1.517 56.368 54.840 0.019 0.000 0.760 554 L CB -0.511 41.567 42.059 0.032 0.000 0.889 554 L HN 0.214 nan 8.230 nan 0.000 0.433 555 K N -0.317 120.112 120.400 0.049 0.000 2.442 555 K HA -0.100 4.222 4.320 0.003 0.000 0.198 555 K C 1.968 178.620 176.600 0.086 0.000 1.042 555 K CA 0.744 57.068 56.287 0.060 0.000 0.958 555 K CB 0.052 32.568 32.500 0.027 0.000 0.766 555 K HN 0.364 nan 8.250 nan 0.000 0.474 556 R N -0.127 120.432 120.500 0.098 0.000 2.282 556 R HA 0.124 4.466 4.340 0.003 0.000 0.195 556 R C 2.057 178.539 176.300 0.303 0.000 0.909 556 R CA 0.339 56.520 56.100 0.134 0.000 1.039 556 R CB 0.222 30.540 30.300 0.031 0.000 1.015 556 R HN 0.200 nan 8.270 nan 0.000 0.513 557 M N -1.903 117.799 119.600 0.171 0.000 2.421 557 M HA 0.387 4.869 4.480 0.003 0.000 0.258 557 M C 0.182 176.337 176.300 -0.241 0.000 1.122 557 M CA 0.711 55.969 55.300 -0.069 0.000 1.078 557 M CB 0.810 33.177 32.600 -0.388 0.000 1.380 557 M HN -0.157 nan 8.290 nan 0.000 0.499 558 M N 1.089 120.652 119.600 -0.062 0.000 2.531 558 M HA 0.417 4.899 4.480 0.003 0.000 0.286 558 M C -0.509 175.815 176.300 0.040 0.000 1.232 558 M CA -0.721 54.482 55.300 -0.162 0.000 0.877 558 M CB 2.842 35.374 32.600 -0.113 0.000 1.726 558 M HN 0.242 nan 8.290 nan 0.000 0.463 559 S N 0.822 116.496 115.700 -0.044 0.000 2.632 559 S HA 0.590 5.061 4.470 0.003 0.000 0.267 559 S C 1.060 175.706 174.600 0.077 0.000 1.276 559 S CA -0.108 58.160 58.200 0.114 0.000 0.998 559 S CB 1.389 64.629 63.200 0.068 0.000 0.953 559 S HN 0.810 nan 8.310 nan 0.000 0.547 560 A N 1.778 124.652 122.820 0.090 0.000 1.948 560 A HA -0.106 4.216 4.320 0.003 0.000 0.220 560 A C 2.444 180.062 177.584 0.055 0.000 1.177 560 A CA 2.315 54.395 52.037 0.071 0.000 0.636 560 A CB -1.664 17.375 19.000 0.065 0.000 0.815 560 A HN 1.378 nan 8.150 nan 0.000 0.449 561 S N -0.789 114.931 115.700 0.033 0.000 2.414 561 S HA -0.075 4.397 4.470 0.003 0.000 0.227 561 S C 1.650 176.239 174.600 -0.018 0.000 1.022 561 S CA 1.104 59.307 58.200 0.005 0.000 0.958 561 S CB -0.292 62.905 63.200 -0.004 0.000 0.797 561 S HN 0.639 nan 8.310 nan 0.000 0.493 562 E N 1.201 121.391 120.200 -0.017 0.000 2.110 562 E HA 0.009 4.361 4.350 0.003 0.000 0.193 562 E C 1.925 178.511 176.600 -0.022 0.000 0.988 562 E CA 1.275 57.655 56.400 -0.032 0.000 0.804 562 E CB -0.295 29.377 29.700 -0.046 0.000 0.745 562 E HN 0.527 nan 8.360 nan 0.000 0.458 563 L N 0.293 121.526 121.223 0.017 0.000 2.131 563 L HA -0.129 4.212 4.340 0.003 0.000 0.206 563 L C 2.147 179.090 176.870 0.121 0.000 1.087 563 L CA 0.932 55.812 54.840 0.067 0.000 0.767 563 L CB -0.200 41.917 42.059 0.097 0.000 0.917 563 L HN 0.103 nan 8.230 nan 0.000 0.441 564 D N -0.181 120.274 120.400 0.091 0.000 2.087 564 D HA -0.199 4.442 4.640 0.003 0.000 0.192 564 D C 2.022 178.108 176.300 -0.357 0.000 0.993 564 D CA 1.907 55.917 54.000 0.017 0.000 0.828 564 D CB 0.103 40.916 40.800 0.023 0.000 0.968 564 D HN 0.094 nan 8.370 nan 0.000 0.448 565 T N 0.280 114.692 114.554 -0.237 0.000 2.685 565 T HA -0.274 4.078 4.350 0.003 0.000 0.268 565 T C 1.891 176.405 174.700 -0.310 0.000 1.034 565 T CA 1.565 63.506 62.100 -0.265 0.000 1.149 565 T CB -0.385 68.394 68.868 -0.149 0.000 0.860 565 T HN 0.264 nan 8.240 nan 0.000 0.449 566 M N 0.643 120.100 119.600 -0.238 0.000 2.059 566 M HA -0.091 4.391 4.480 0.003 0.000 0.259 566 M C 2.422 178.428 176.300 -0.490 0.000 1.072 566 M CA 1.969 57.123 55.300 -0.242 0.000 1.117 566 M CB -0.300 32.230 32.600 -0.116 0.000 1.320 566 M HN 0.626 nan 8.290 nan 0.000 0.408 567 W N 0.746 121.632 121.300 -0.690 0.000 2.418 567 W HA -0.079 4.583 4.660 0.003 0.000 0.292 567 W C 1.520 177.776 176.519 -0.438 0.000 1.213 567 W CA 0.703 57.454 57.345 -0.990 0.000 1.283 567 W CB -0.996 28.065 29.460 -0.665 0.000 1.119 567 W HN 0.196 nan 8.180 nan 0.000 0.542 568 K N 0.683 120.327 120.400 -1.260 0.000 2.057 568 K HA -0.182 4.139 4.320 0.003 0.000 0.206 568 K C 0.439 176.745 176.600 -0.490 0.000 1.050 568 K CA 1.358 57.002 56.287 -1.072 0.000 0.935 568 K CB -0.268 31.559 32.500 -1.122 0.000 0.715 568 K HN -0.063 nan 8.250 nan 0.000 0.439 569 N N -0.343 118.122 118.700 -0.392 0.000 2.727 569 N HA 0.173 4.915 4.740 0.003 0.000 0.252 569 N C -2.579 172.837 175.510 -0.157 0.000 1.283 569 N CA -1.883 51.035 53.050 -0.220 0.000 0.782 569 N CB 1.374 39.749 38.487 -0.186 0.000 1.199 569 N HN -0.232 nan 8.380 nan 0.000 0.520 570 P HA -0.031 nan 4.420 nan 0.000 0.221 570 P C 0.627 177.934 177.300 0.012 0.000 1.145 570 P CA 0.976 64.070 63.100 -0.009 0.000 0.795 570 P CB 0.390 32.156 31.700 0.109 0.000 0.775 571 S N -1.035 114.658 115.700 -0.011 0.000 2.522 571 S HA 0.156 4.628 4.470 0.003 0.000 0.227 571 S C 1.139 175.729 174.600 -0.016 0.000 0.986 571 S CA 0.133 58.331 58.200 -0.003 0.000 0.929 571 S CB -0.551 62.646 63.200 -0.006 0.000 0.769 571 S HN 0.171 nan 8.310 nan 0.000 0.529 572 A N 1.917 124.714 122.820 -0.037 0.000 2.445 572 A HA 0.286 4.607 4.320 0.003 0.000 0.242 572 A C 0.290 177.859 177.584 -0.024 0.000 1.075 572 A CA -0.204 51.809 52.037 -0.039 0.000 0.777 572 A CB 0.091 19.053 19.000 -0.063 0.000 1.013 572 A HN 0.314 nan 8.150 nan 0.000 0.493 573 K N 1.373 121.764 120.400 -0.015 0.000 2.451 573 K HA 0.094 4.416 4.320 0.003 0.000 0.280 573 K C -0.319 176.283 176.600 0.003 0.000 1.020 573 K CA 0.479 56.764 56.287 -0.004 0.000 1.008 573 K CB 0.256 32.763 32.500 0.011 0.000 0.917 573 K HN 0.593 nan 8.250 nan 0.000 0.478 574 Q N 2.657 122.456 119.800 -0.002 0.000 2.333 574 Q HA 0.051 4.393 4.340 0.003 0.000 0.268 574 Q C -0.050 175.973 176.000 0.038 0.000 1.007 574 Q CA -0.281 55.531 55.803 0.014 0.000 0.810 574 Q CB 1.258 29.983 28.738 -0.022 0.000 1.264 574 Q HN 0.648 nan 8.270 nan 0.000 0.452 575 Y N 2.627 122.899 120.300 -0.048 0.000 2.403 575 Y HA -0.161 4.391 4.550 0.003 0.000 0.291 575 Y C 1.181 177.013 175.900 -0.114 0.000 1.143 575 Y CA 1.811 59.868 58.100 -0.071 0.000 1.257 575 Y CB 0.467 38.875 38.460 -0.087 0.000 0.984 575 Y HN 0.654 nan 8.280 nan 0.000 0.550 576 H N -0.783 118.235 119.070 -0.087 0.000 2.517 576 H HA 0.171 4.729 4.556 0.003 0.000 0.282 576 H C 1.535 176.705 175.328 -0.264 0.000 1.023 576 H CA 0.165 56.035 56.048 -0.296 0.000 1.169 576 H CB 0.410 29.850 29.762 -0.537 0.000 1.454 576 H HN 0.332 nan 8.280 nan 0.000 0.556 577 R N 0.441 120.818 120.500 -0.205 0.000 1.654 577 R HA 0.122 4.463 4.340 0.003 0.000 0.124 577 R C 0.299 176.316 176.300 -0.472 0.000 1.833 577 R CA 0.217 56.012 56.100 -0.509 0.000 1.809 577 R CB 0.197 30.186 30.300 -0.518 0.000 1.113 577 R HN 0.027 nan 8.270 nan 0.000 0.531 578 S N -1.566 113.895 115.700 -0.398 0.000 2.599 578 S HA 0.266 4.737 4.470 0.003 0.000 0.294 578 S C 0.426 174.959 174.600 -0.111 0.000 1.094 578 S CA -0.271 57.800 58.200 -0.216 0.000 0.931 578 S CB 1.693 64.813 63.200 -0.133 0.000 1.093 578 S HN 0.547 nan 8.310 nan 0.000 0.488 579 S N 1.843 117.501 115.700 -0.070 0.000 2.496 579 S HA 0.096 4.567 4.470 0.003 0.000 0.224 579 S C 0.941 175.555 174.600 0.022 0.000 0.996 579 S CA 0.386 58.559 58.200 -0.046 0.000 0.927 579 S CB -0.305 62.854 63.200 -0.067 0.000 0.774 579 S HN 0.650 nan 8.310 nan 0.000 0.524 580 S N 1.448 117.201 115.700 0.088 0.000 2.537 580 S HA 0.090 4.562 4.470 0.003 0.000 0.286 580 S C 0.742 175.362 174.600 0.034 0.000 1.299 580 S CA -0.438 57.829 58.200 0.112 0.000 1.067 580 S CB 0.246 63.608 63.200 0.271 0.000 0.864 580 S HN 0.332 nan 8.310 nan 0.000 0.494 581 D N 3.675 124.073 120.400 -0.003 0.000 2.117 581 D HA -0.085 4.557 4.640 0.003 0.000 0.197 581 D C 1.881 178.108 176.300 -0.122 0.000 0.987 581 D CA 1.584 55.562 54.000 -0.037 0.000 0.829 581 D CB -0.620 40.170 40.800 -0.017 0.000 0.961 581 D HN 0.711 nan 8.370 nan 0.000 0.460 582 T N 0.254 114.667 114.554 -0.236 0.000 2.714 582 T HA -0.214 4.138 4.350 0.003 0.000 0.268 582 T C 1.105 175.379 174.700 -0.709 0.000 1.036 582 T CA 1.090 62.826 62.100 -0.607 0.000 1.148 582 T CB -0.240 68.059 68.868 -0.948 0.000 0.856 582 T HN 0.124 nan 8.240 nan 0.000 0.462 583 F N 0.070 119.966 119.950 -0.090 0.000 2.735 583 F HA 0.487 5.016 4.527 0.003 0.000 0.304 583 F C 1.805 177.504 175.800 -0.168 0.000 1.119 583 F CA -1.275 56.654 58.000 -0.117 0.000 1.280 583 F CB -0.187 38.770 39.000 -0.071 0.000 0.994 583 F HN 0.101 nan 8.300 nan 0.000 0.520 584 G N 0.286 109.083 108.800 -0.006 0.000 2.598 584 G HA2 -0.045 3.917 3.960 0.003 0.000 0.215 584 G HA3 -0.045 3.917 3.960 0.003 0.000 0.215 584 G C 0.387 175.261 174.900 -0.043 0.000 1.131 584 G CA 0.409 45.487 45.100 -0.035 0.000 0.785 584 G HN 0.494 nan 8.290 nan 0.000 0.539 585 N N -1.813 116.872 118.700 -0.025 0.000 2.902 585 N HA 0.484 5.226 4.740 0.003 0.000 0.268 585 N C -0.350 175.174 175.510 0.024 0.000 1.450 585 N CA -0.978 52.067 53.050 -0.009 0.000 0.819 585 N CB 0.814 39.302 38.487 0.001 0.000 1.540 585 N HN -0.137 nan 8.380 nan 0.000 0.545 586 L N -0.510 120.749 121.223 0.060 0.000 3.094 586 L HA 0.410 4.752 4.340 0.003 0.000 0.254 586 L C 1.692 178.681 176.870 0.197 0.000 1.298 586 L CA -0.423 54.506 54.840 0.148 0.000 1.050 586 L CB -0.104 42.073 42.059 0.197 0.000 1.420 586 L HN 0.692 nan 8.230 nan 0.000 0.548 587 K N 1.376 121.848 120.400 0.120 0.000 1.984 587 K HA -0.081 4.240 4.320 0.003 0.000 0.209 587 K C 1.924 178.582 176.600 0.097 0.000 1.046 587 K CA 1.415 57.755 56.287 0.089 0.000 0.934 587 K CB 0.004 32.532 32.500 0.048 0.000 0.717 587 K HN 0.338 nan 8.250 nan 0.000 0.438 588 L N 0.393 121.671 121.223 0.092 0.000 2.129 588 L HA -0.198 4.144 4.340 0.003 0.000 0.212 588 L C 2.474 179.412 176.870 0.113 0.000 1.087 588 L CA 1.227 56.116 54.840 0.081 0.000 0.757 588 L CB -0.504 41.565 42.059 0.018 0.000 0.896 588 L HN 0.246 nan 8.230 nan 0.000 0.434 589 F N 0.754 120.731 119.950 0.045 0.000 2.074 589 F HA -0.004 4.525 4.527 0.003 0.000 0.293 589 F C 2.368 178.149 175.800 -0.032 0.000 1.116 589 F CA 1.351 59.355 58.000 0.006 0.000 1.212 589 F CB -0.784 38.293 39.000 0.130 0.000 0.998 589 F HN -0.035 nan 8.300 nan 0.000 0.471 590 G N 0.473 109.382 108.800 0.182 0.000 2.599 590 G HA2 -0.386 3.576 3.960 0.003 0.000 0.219 590 G HA3 -0.386 3.576 3.960 0.003 0.000 0.219 590 G C 1.325 176.180 174.900 -0.075 0.000 1.193 590 G CA 1.458 46.624 45.100 0.110 0.000 0.778 590 G HN 0.396 nan 8.290 nan 0.000 0.589 591 D N 1.093 121.444 120.400 -0.083 0.000 2.106 591 D HA -0.090 4.552 4.640 0.003 0.000 0.191 591 D C 2.823 178.913 176.300 -0.350 0.000 0.997 591 D CA 1.565 55.468 54.000 -0.161 0.000 0.834 591 D CB -0.851 39.899 40.800 -0.083 0.000 0.956 591 D HN 0.357 nan 8.370 nan 0.000 0.448 592 A N 0.431 123.003 122.820 -0.413 0.000 1.940 592 A HA -0.152 4.170 4.320 0.003 0.000 0.219 592 A C 2.210 179.488 177.584 -0.510 0.000 1.176 592 A CA 1.155 52.836 52.037 -0.593 0.000 0.631 592 A CB -0.742 17.653 19.000 -1.009 0.000 0.814 592 A HN 0.227 nan 8.150 nan 0.000 0.446 593 L N -0.804 120.105 121.223 -0.524 0.000 2.072 593 L HA -0.066 4.275 4.340 0.003 0.000 0.205 593 L C 2.583 179.376 176.870 -0.128 0.000 1.079 593 L CA 2.506 57.125 54.840 -0.370 0.000 0.752 593 L CB -0.726 40.951 42.059 -0.638 0.000 0.906 593 L HN 0.347 nan 8.230 nan 0.000 0.436 594 T N -0.562 113.909 114.554 -0.138 0.000 2.746 594 T HA -0.143 4.208 4.350 0.003 0.000 0.267 594 T C 1.929 176.560 174.700 -0.116 0.000 1.039 594 T CA 1.150 63.211 62.100 -0.064 0.000 1.142 594 T CB -0.066 68.776 68.868 -0.043 0.000 0.866 594 T HN 0.174 nan 8.240 nan 0.000 0.444 595 K N 1.113 121.347 120.400 -0.276 0.000 2.001 595 K HA 0.061 4.383 4.320 0.003 0.000 0.208 595 K C 2.462 178.952 176.600 -0.183 0.000 1.048 595 K CA 1.261 57.331 56.287 -0.362 0.000 0.932 595 K CB -0.234 31.667 32.500 -0.997 0.000 0.715 595 K HN 0.315 nan 8.250 nan 0.000 0.437 596 R N -1.003 119.417 120.500 -0.133 0.000 2.127 596 R HA 0.011 4.352 4.340 0.003 0.000 0.217 596 R C 1.689 177.895 176.300 -0.156 0.000 1.074 596 R CA 0.903 56.963 56.100 -0.066 0.000 0.991 596 R CB 0.039 30.349 30.300 0.017 0.000 0.895 596 R HN 0.235 nan 8.270 nan 0.000 0.450 597 Y N -0.363 119.915 120.300 -0.037 0.000 2.444 597 Y HA 0.316 4.868 4.550 0.003 0.000 0.249 597 Y C 0.729 176.636 175.900 0.012 0.000 1.134 597 Y CA 0.125 58.223 58.100 -0.002 0.000 1.261 597 Y CB 1.358 39.809 38.460 -0.015 0.000 1.143 597 Y HN 0.147 nan 8.280 nan 0.000 0.523 598 G N 1.195 110.058 108.800 0.105 0.000 2.879 598 G HA2 0.061 4.023 3.960 0.003 0.000 0.686 598 G HA3 0.061 4.023 3.960 0.003 0.000 0.686 598 G C -0.087 174.867 174.900 0.090 0.000 1.115 598 G CA -1.004 44.141 45.100 0.075 0.000 0.770 598 G HN 0.632 nan 8.290 nan 0.000 0.601 599 A N 1.847 124.709 122.820 0.070 0.000 2.616 599 A HA 0.391 4.713 4.320 0.003 0.000 0.242 599 A C 1.259 178.923 177.584 0.133 0.000 0.987 599 A CA 1.516 53.612 52.037 0.097 0.000 0.800 599 A CB 0.002 19.051 19.000 0.082 0.000 0.883 599 A HN 2.094 nan 8.150 nan 0.000 0.496 600 S N 2.305 118.126 115.700 0.202 0.000 2.481 600 S HA 0.359 4.831 4.470 0.003 0.000 0.276 600 S C 1.519 176.216 174.600 0.162 0.000 1.247 600 S CA -0.013 58.314 58.200 0.211 0.000 1.053 600 S CB 1.245 64.685 63.200 0.399 0.000 0.925 600 S HN 1.156 nan 8.310 nan 0.000 0.491 601 A N 3.906 126.728 122.820 0.004 0.000 1.969 601 A HA 0.018 4.340 4.320 0.003 0.000 0.218 601 A C 0.932 178.321 177.584 -0.324 0.000 1.169 601 A CA 1.299 53.301 52.037 -0.058 0.000 0.635 601 A CB -0.383 18.571 19.000 -0.076 0.000 0.810 601 A HN 0.889 nan 8.150 nan 0.000 0.445 602 N N -4.102 114.178 118.700 -0.699 0.000 3.441 602 N HA 0.204 4.946 4.740 0.003 0.000 0.313 602 N C -0.024 174.646 175.510 -1.400 0.000 1.526 602 N CA -0.186 51.998 53.050 -1.443 0.000 0.871 602 N CB -0.175 37.893 38.487 -0.700 0.000 1.779 602 N HN -0.042 nan 8.380 nan 0.000 0.529 603 L N 0.705 121.173 121.223 -1.260 0.000 1.961 603 L HA 0.066 4.408 4.340 0.003 0.000 0.210 603 L C 1.429 178.132 176.870 -0.279 0.000 1.072 603 L CA 2.038 56.474 54.840 -0.674 0.000 0.749 603 L CB -1.476 40.391 42.059 -0.320 0.000 0.889 603 L HN 0.626 nan 8.230 nan 0.000 0.432 604 N N 0.016 118.566 118.700 -0.249 0.000 2.133 604 N HA -0.260 4.482 4.740 0.003 0.000 0.193 604 N C 1.617 177.027 175.510 -0.168 0.000 1.012 604 N CA 1.715 54.662 53.050 -0.172 0.000 0.871 604 N CB -0.557 37.820 38.487 -0.182 0.000 1.011 604 N HN 0.539 nan 8.380 nan 0.000 0.435 605 D N -0.493 119.782 120.400 -0.208 0.000 2.137 605 D HA -0.076 4.566 4.640 0.003 0.000 0.202 605 D C 1.772 178.052 176.300 -0.033 0.000 0.970 605 D CA 0.363 54.271 54.000 -0.154 0.000 0.837 605 D CB -0.282 40.417 40.800 -0.167 0.000 0.981 605 D HN 0.171 nan 8.370 nan 0.000 0.475 606 F N 0.500 120.362 119.950 -0.146 0.000 2.134 606 F HA -0.156 4.373 4.527 0.003 0.000 0.299 606 F C 2.093 177.907 175.800 0.024 0.000 1.097 606 F CA 1.178 59.172 58.000 -0.010 0.000 1.264 606 F CB -0.352 38.700 39.000 0.085 0.000 1.001 606 F HN -0.122 nan 8.300 nan 0.000 0.479 607 V N 2.320 122.264 119.914 0.050 0.000 2.270 607 V HA -0.298 3.824 4.120 0.003 0.000 0.245 607 V C 2.633 178.692 176.094 -0.059 0.000 1.043 607 V CA 2.254 64.550 62.300 -0.007 0.000 1.014 607 V CB -0.937 30.922 31.823 0.061 0.000 0.645 607 V HN 0.404 nan 8.190 nan 0.000 0.447 608 R N 0.870 121.345 120.500 -0.041 0.000 2.105 608 R HA -0.217 4.124 4.340 0.003 0.000 0.239 608 R C 2.129 178.453 176.300 0.040 0.000 1.135 608 R CA 1.931 58.041 56.100 0.016 0.000 0.967 608 R CB -0.511 29.766 30.300 -0.037 0.000 0.861 608 R HN 0.397 nan 8.270 nan 0.000 0.442 609 K N 0.502 120.875 120.400 -0.046 0.000 2.116 609 K HA 0.071 4.392 4.320 0.003 0.000 0.203 609 K C 2.305 178.631 176.600 -0.456 0.000 1.052 609 K CA 0.997 57.142 56.287 -0.236 0.000 0.952 609 K CB -0.052 32.329 32.500 -0.197 0.000 0.729 609 K HN 0.287 nan 8.250 nan 0.000 0.446 610 A N 1.397 124.011 122.820 -0.343 0.000 1.902 610 A HA -0.214 4.108 4.320 0.003 0.000 0.217 610 A C 2.056 179.633 177.584 -0.012 0.000 1.181 610 A CA 1.345 53.302 52.037 -0.133 0.000 0.623 610 A CB -0.345 18.573 19.000 -0.137 0.000 0.818 610 A HN 0.176 nan 8.150 nan 0.000 0.443 611 Q N 0.023 119.790 119.800 -0.055 0.000 2.002 611 Q HA -0.135 4.207 4.340 0.003 0.000 0.204 611 Q C 2.230 178.225 176.000 -0.009 0.000 0.988 611 Q CA 1.577 57.388 55.803 0.013 0.000 0.843 611 Q CB -0.818 27.941 28.738 0.034 0.000 0.908 611 Q HN 0.721 nan 8.270 nan 0.000 0.420 612 L N 0.527 121.595 121.223 -0.258 0.000 2.043 612 L HA -0.237 4.105 4.340 0.003 0.000 0.212 612 L C 2.649 179.709 176.870 0.316 0.000 1.075 612 L CA 1.615 56.349 54.840 -0.175 0.000 0.752 612 L CB -0.732 41.006 42.059 -0.535 0.000 0.891 612 L HN 0.232 nan 8.230 nan 0.000 0.432 613 S N -0.700 115.029 115.700 0.048 0.000 2.383 613 S HA -0.217 4.255 4.470 0.003 0.000 0.227 613 S C 1.952 176.790 174.600 0.396 0.000 1.026 613 S CA 1.329 59.679 58.200 0.250 0.000 0.981 613 S CB -0.041 63.141 63.200 -0.030 0.000 0.818 613 S HN 0.445 nan 8.310 nan 0.000 0.472 614 Q N -0.643 119.360 119.800 0.338 0.000 2.046 614 Q HA -0.076 4.265 4.340 0.003 0.000 0.200 614 Q C 1.854 178.026 176.000 0.286 0.000 0.975 614 Q CA 1.960 57.944 55.803 0.302 0.000 0.836 614 Q CB -0.469 28.402 28.738 0.221 0.000 0.896 614 Q HN 0.753 nan 8.270 nan 0.000 0.428 615 Y N 1.675 122.116 120.300 0.235 0.000 1.993 615 Y HA -0.395 4.157 4.550 0.003 0.000 0.267 615 Y C 2.472 178.495 175.900 0.205 0.000 1.155 615 Y CA 2.315 60.577 58.100 0.270 0.000 1.105 615 Y CB -0.183 38.540 38.460 0.438 0.000 0.960 615 Y HN 0.198 nan 8.280 nan 0.000 0.486 616 E N -0.252 120.267 120.200 0.533 0.000 2.086 616 E HA -0.339 4.013 4.350 0.003 0.000 0.200 616 E C 2.095 178.798 176.600 0.173 0.000 1.012 616 E CA 1.699 58.242 56.400 0.237 0.000 0.812 616 E CB -0.430 29.422 29.700 0.253 0.000 0.743 616 E HN 0.522 nan 8.360 nan 0.000 0.453 617 N N -0.131 118.700 118.700 0.218 0.000 2.135 617 N HA -0.110 4.631 4.740 0.003 0.000 0.186 617 N C 2.002 177.561 175.510 0.082 0.000 1.027 617 N CA 1.413 54.577 53.050 0.190 0.000 0.849 617 N CB 0.097 38.719 38.487 0.226 0.000 1.002 617 N HN 0.095 nan 8.380 nan 0.000 0.425 618 V N 1.893 121.825 119.914 0.031 0.000 2.358 618 V HA -0.142 3.980 4.120 0.003 0.000 0.246 618 V C 2.637 178.683 176.094 -0.080 0.000 1.047 618 V CA 1.344 63.587 62.300 -0.095 0.000 1.035 618 V CB -0.573 31.130 31.823 -0.200 0.000 0.658 618 V HN 0.322 nan 8.190 nan 0.000 0.452 619 R N 0.614 121.057 120.500 -0.095 0.000 2.083 619 R HA -0.208 4.134 4.340 0.003 0.000 0.237 619 R C 2.288 178.625 176.300 0.061 0.000 1.137 619 R CA 1.946 58.008 56.100 -0.064 0.000 0.951 619 R CB -0.476 29.754 30.300 -0.117 0.000 0.851 619 R HN 0.475 nan 8.270 nan 0.000 0.434 620 A N 0.801 123.677 122.820 0.093 0.000 1.930 620 A HA -0.202 4.119 4.320 0.003 0.000 0.217 620 A C 2.023 179.555 177.584 -0.085 0.000 1.175 620 A CA 1.582 53.723 52.037 0.174 0.000 0.627 620 A CB -0.545 18.581 19.000 0.211 0.000 0.815 620 A HN 0.646 nan 8.150 nan 0.000 0.443 621 E N -1.325 118.608 120.200 -0.444 0.000 2.077 621 E HA -0.191 4.161 4.350 0.003 0.000 0.193 621 E C 1.616 177.869 176.600 -0.578 0.000 0.989 621 E CA 1.339 57.096 56.400 -1.070 0.000 0.800 621 E CB -0.224 28.441 29.700 -1.725 0.000 0.746 621 E HN 0.580 nan 8.360 nan 0.000 0.452 622 F N 1.261 120.990 119.950 -0.368 0.000 2.149 622 F HA 0.005 4.534 4.527 0.003 0.000 0.294 622 F C 2.339 178.060 175.800 -0.131 0.000 1.095 622 F CA 1.234 59.070 58.000 -0.273 0.000 1.276 622 F CB -0.206 38.612 39.000 -0.303 0.000 1.023 622 F HN 0.021 nan 8.300 nan 0.000 0.480 623 E N -0.099 120.172 120.200 0.118 0.000 2.130 623 E HA -0.232 4.119 4.350 0.003 0.000 0.196 623 E C 2.318 178.982 176.600 0.106 0.000 0.998 623 E CA 1.699 58.194 56.400 0.158 0.000 0.806 623 E CB -0.282 29.600 29.700 0.302 0.000 0.738 623 E HN 0.409 nan 8.360 nan 0.000 0.459 624 S N 0.187 115.812 115.700 -0.125 0.000 2.368 624 S HA -0.197 4.275 4.470 0.003 0.000 0.224 624 S C 1.742 176.224 174.600 -0.196 0.000 1.029 624 S CA 1.280 59.193 58.200 -0.477 0.000 0.988 624 S CB -0.426 62.150 63.200 -1.040 0.000 0.838 624 S HN 0.311 nan 8.310 nan 0.000 0.462 625 H N 1.138 120.114 119.070 -0.155 0.000 2.428 625 H HA 0.236 4.793 4.556 0.003 0.000 0.296 625 H C 2.528 177.867 175.328 0.018 0.000 1.062 625 H CA 1.370 57.368 56.048 -0.083 0.000 1.350 625 H CB -0.360 29.294 29.762 -0.181 0.000 1.403 625 H HN 0.380 nan 8.280 nan 0.000 0.533 626 S N -0.181 115.608 115.700 0.148 0.000 2.356 626 S HA -0.155 4.317 4.470 0.003 0.000 0.223 626 S C 2.137 176.855 174.600 0.197 0.000 1.032 626 S CA 1.123 59.415 58.200 0.153 0.000 1.005 626 S CB -0.021 63.255 63.200 0.128 0.000 0.867 626 S HN 0.390 nan 8.310 nan 0.000 0.449 627 R N 1.245 121.847 120.500 0.170 0.000 2.066 627 R HA -0.025 4.316 4.340 0.003 0.000 0.232 627 R C 1.231 177.621 176.300 0.150 0.000 1.131 627 R CA 1.521 57.723 56.100 0.170 0.000 0.955 627 R CB -0.276 30.145 30.300 0.202 0.000 0.851 627 R HN 0.255 nan 8.270 nan 0.000 0.432 628 N N 0.020 118.795 118.700 0.126 0.000 2.515 628 N HA -0.132 4.610 4.740 0.003 0.000 0.185 628 N C 1.048 176.645 175.510 0.145 0.000 1.109 628 N CA 0.397 53.510 53.050 0.105 0.000 0.903 628 N CB -0.307 38.214 38.487 0.057 0.000 0.969 628 N HN 0.308 nan 8.380 nan 0.000 0.450 629 Y N 2.012 122.346 120.300 0.058 0.000 2.151 629 Y HA -0.215 4.337 4.550 0.003 0.000 0.284 629 Y C 1.701 177.643 175.900 0.070 0.000 1.166 629 Y CA 1.708 59.849 58.100 0.070 0.000 1.163 629 Y CB -0.767 37.738 38.460 0.074 0.000 0.974 629 Y HN 0.095 nan 8.280 nan 0.000 0.511 630 T N -1.698 112.786 114.554 -0.116 0.000 3.278 630 T HA 0.151 4.503 4.350 0.003 0.000 0.251 630 T C -0.125 174.521 174.700 -0.089 0.000 1.039 630 T CA -0.237 61.738 62.100 -0.209 0.000 0.935 630 T CB -0.468 68.328 68.868 -0.119 0.000 1.034 630 T HN 0.039 nan 8.240 nan 0.000 0.575 631 D N 1.764 122.141 120.400 -0.038 0.000 2.372 631 D HA 0.276 4.918 4.640 0.003 0.000 0.243 631 D C 0.966 177.251 176.300 -0.024 0.000 1.121 631 D CA -0.285 53.708 54.000 -0.012 0.000 0.898 631 D CB 1.499 42.311 40.800 0.020 0.000 1.202 631 D HN 0.134 nan 8.370 nan 0.000 0.428 632 S N -0.228 115.461 115.700 -0.019 0.000 2.436 632 S HA -0.000 4.472 4.470 0.003 0.000 0.228 632 S C 0.803 175.397 174.600 -0.009 0.000 1.014 632 S CA 0.490 58.679 58.200 -0.019 0.000 0.950 632 S CB 0.260 63.449 63.200 -0.018 0.000 0.784 632 S HN 0.428 nan 8.310 nan 0.000 0.504 633 T N 2.853 117.403 114.554 -0.006 0.000 2.841 633 T HA 0.354 4.705 4.350 0.003 0.000 0.283 633 T C -0.286 174.422 174.700 0.014 0.000 1.000 633 T CA -0.736 61.360 62.100 -0.005 0.000 0.977 633 T CB 0.956 69.807 68.868 -0.028 0.000 0.979 633 T HN 0.112 nan 8.240 nan 0.000 0.446 634 N N 2.553 121.276 118.700 0.040 0.000 2.686 634 N HA -0.113 4.629 4.740 0.003 0.000 0.261 634 N C -2.540 173.061 175.510 0.151 0.000 1.001 634 N CA 0.332 53.446 53.050 0.106 0.000 0.764 634 N CB -0.483 38.020 38.487 0.027 0.000 0.898 634 N HN 0.431 nan 8.380 nan 0.000 0.544 635 P HA 0.094 nan 4.420 nan 0.000 0.274 635 P C -0.171 177.249 177.300 0.200 0.000 1.256 635 P CA -0.254 62.926 63.100 0.134 0.000 0.795 635 P CB 0.545 32.290 31.700 0.076 0.000 1.038 636 S N -0.842 114.972 115.700 0.190 0.000 2.545 636 S HA 0.304 4.776 4.470 0.003 0.000 0.275 636 S C 1.057 175.825 174.600 0.279 0.000 1.299 636 S CA -0.130 58.178 58.200 0.179 0.000 1.048 636 S CB 0.013 63.265 63.200 0.087 0.000 0.938 636 S HN 0.648 nan 8.310 nan 0.000 0.496 637 T N -1.032 113.654 114.554 0.220 0.000 2.959 637 T HA 0.528 4.880 4.350 0.003 0.000 0.254 637 T C 0.684 175.414 174.700 0.050 0.000 1.003 637 T CA 0.203 62.480 62.100 0.294 0.000 0.950 637 T CB 0.159 69.273 68.868 0.410 0.000 1.090 637 T HN 1.103 nan 8.240 nan 0.000 0.503 638 G N 0.775 109.330 108.800 -0.407 0.000 2.632 638 G HA2 0.567 4.529 3.960 0.003 0.000 0.292 638 G HA3 0.567 4.529 3.960 0.003 0.000 0.292 638 G C -2.616 171.715 174.900 -0.949 0.000 1.465 638 G CA -0.792 43.659 45.100 -1.080 0.000 0.824 638 G HN 0.497 nan 8.290 nan 0.000 0.509 639 L N 0.998 121.766 121.223 -0.759 0.000 2.562 639 L HA 0.704 5.045 4.340 0.003 0.000 0.266 639 L C -1.588 175.029 176.870 -0.421 0.000 0.949 639 L CA -0.746 53.687 54.840 -0.677 0.000 0.879 639 L CB 1.759 43.235 42.059 -0.971 0.000 1.278 639 L HN 0.430 nan 8.230 nan 0.000 0.404 640 I N 5.273 125.662 120.570 -0.303 0.000 2.354 640 I HA 0.214 4.385 4.170 0.003 0.000 0.286 640 I C -0.592 175.467 176.117 -0.097 0.000 1.007 640 I CA -0.509 60.738 61.300 -0.087 0.000 1.167 640 I CB 1.083 39.113 38.000 0.049 0.000 1.320 640 I HN 0.680 nan 8.210 nan 0.000 0.458 641 Y N 6.265 126.453 120.300 -0.188 0.000 2.526 641 Y HA 0.021 4.573 4.550 0.003 0.000 0.330 641 Y C -0.189 175.695 175.900 -0.026 0.000 1.156 641 Y CA 0.130 58.108 58.100 -0.203 0.000 1.419 641 Y CB 0.736 39.103 38.460 -0.154 0.000 1.250 641 Y HN 0.549 nan 8.280 nan 0.000 0.540 642 W N 10.565 131.234 121.300 -1.051 0.000 2.295 642 W HA 0.398 5.060 4.660 0.003 0.000 0.333 642 W C -1.487 174.468 176.519 -0.940 0.000 0.990 642 W CA -0.648 56.160 57.345 -0.895 0.000 1.453 642 W CB 0.569 29.527 29.460 -0.835 0.000 1.263 642 W HN 0.615 nan 8.180 nan 0.000 0.380 643 M N 3.247 122.461 119.600 -0.643 0.000 2.691 643 M HA 0.159 4.641 4.480 0.003 0.000 0.293 643 M C 0.883 177.046 176.300 -0.229 0.000 1.259 643 M CA -0.841 54.029 55.300 -0.717 0.000 0.827 643 M CB 2.294 34.139 32.600 -1.258 0.000 1.753 643 M HN 0.236 nan 8.290 nan 0.000 0.465 644 L N 1.879 122.951 121.223 -0.253 0.000 2.042 644 L HA -0.105 4.236 4.340 0.003 0.000 0.210 644 L C 0.564 177.130 176.870 -0.506 0.000 1.076 644 L CA 1.840 56.564 54.840 -0.193 0.000 0.749 644 L CB -0.151 41.860 42.059 -0.081 0.000 0.893 644 L HN 0.889 nan 8.230 nan 0.000 0.432 645 N N -2.675 115.654 118.700 -0.619 0.000 3.243 645 N HA 0.249 4.990 4.740 0.003 0.000 0.280 645 N C -1.336 173.842 175.510 -0.554 0.000 1.545 645 N CA -0.255 52.343 53.050 -0.754 0.000 0.854 645 N CB 1.290 39.121 38.487 -1.094 0.000 1.612 645 N HN -0.079 nan 8.380 nan 0.000 0.577 646 S N -1.223 114.226 115.700 -0.419 0.000 2.542 646 S HA 0.616 5.088 4.470 0.003 0.000 0.293 646 S C -2.147 172.340 174.600 -0.189 0.000 1.089 646 S CA -1.599 56.444 58.200 -0.262 0.000 0.961 646 S CB 1.275 64.380 63.200 -0.159 0.000 1.062 646 S HN 0.406 nan 8.310 nan 0.000 0.483 647 P HA 0.088 nan 4.420 nan 0.000 0.225 647 P C -0.208 176.998 177.300 -0.156 0.000 1.148 647 P CA 0.929 63.892 63.100 -0.229 0.000 0.779 647 P CB 0.023 31.371 31.700 -0.586 0.000 0.780 648 W N -2.161 118.851 121.300 -0.480 0.000 2.894 648 W HA 0.337 4.998 4.660 0.003 0.000 0.424 648 W C -1.254 174.765 176.519 -0.833 0.000 1.072 648 W CA -0.655 56.203 57.345 -0.811 0.000 1.194 648 W CB -0.677 28.424 29.460 -0.599 0.000 1.471 648 W HN -0.336 nan 8.180 nan 0.000 0.608 649 T N 1.388 115.146 114.554 -1.327 0.000 2.817 649 T HA 0.434 4.786 4.350 0.003 0.000 0.295 649 T C -0.162 173.858 174.700 -1.134 0.000 0.958 649 T CA 0.308 61.736 62.100 -1.119 0.000 1.157 649 T CB 0.769 69.036 68.868 -1.002 0.000 0.898 649 T HN 0.771 nan 8.240 nan 0.000 0.536 650 S N 2.223 117.538 115.700 -0.642 0.000 2.588 650 S HA 0.552 5.024 4.470 0.003 0.000 0.275 650 S C 0.103 174.555 174.600 -0.247 0.000 1.130 650 S CA -1.025 56.942 58.200 -0.389 0.000 0.855 650 S CB 1.180 64.299 63.200 -0.135 0.000 1.116 650 S HN 0.720 nan 8.310 nan 0.000 0.472 651 L N 3.300 124.412 121.223 -0.186 0.000 2.818 651 L HA 0.436 4.777 4.340 0.003 0.000 0.243 651 L C 0.404 177.201 176.870 -0.122 0.000 1.185 651 L CA -0.191 54.555 54.840 -0.157 0.000 0.988 651 L CB -0.470 41.498 42.059 -0.152 0.000 1.292 651 L HN 0.792 nan 8.230 nan 0.000 0.519 652 H N -6.337 112.561 119.070 -0.287 0.000 2.960 652 H HA 0.224 4.782 4.556 0.003 0.000 0.323 652 H C -1.180 174.045 175.328 -0.172 0.000 1.326 652 H CA -1.252 54.598 56.048 -0.330 0.000 1.124 652 H CB 0.673 30.030 29.762 -0.675 0.000 1.853 652 H HN -0.101 nan 8.280 nan 0.000 0.536 653 W N 1.570 122.673 121.300 -0.328 0.000 6.905 653 W HA -0.199 4.463 4.660 0.003 0.000 0.419 653 W C -0.790 175.495 176.519 -0.389 0.000 1.653 653 W CA 1.315 58.356 57.345 -0.507 0.000 1.131 653 W CB -2.218 26.672 29.460 -0.950 0.000 2.876 653 W HN 0.892 nan 8.180 nan 0.000 1.563 654 Q N -2.051 117.773 119.800 0.041 0.000 2.426 654 Q HA 0.609 4.951 4.340 0.003 0.000 0.278 654 Q C -0.387 175.606 176.000 -0.012 0.000 1.007 654 Q CA -1.036 54.718 55.803 -0.082 0.000 0.850 654 Q CB 1.060 29.688 28.738 -0.182 0.000 1.427 654 Q HN 0.141 nan 8.270 nan 0.000 0.391 655 L N 0.597 121.755 121.223 -0.109 0.000 2.262 655 L HA 0.314 4.655 4.340 0.003 0.000 0.197 655 L C 0.555 177.556 176.870 0.218 0.000 1.073 655 L CA 0.464 55.282 54.840 -0.036 0.000 0.800 655 L CB 0.214 42.202 42.059 -0.118 0.000 0.987 655 L HN 0.675 nan 8.230 nan 0.000 0.470 656 F N 0.284 120.370 119.950 0.226 0.000 2.480 656 F HA 0.549 5.078 4.527 0.003 0.000 0.329 656 F C -0.196 175.641 175.800 0.061 0.000 1.091 656 F CA -1.851 56.274 58.000 0.209 0.000 0.972 656 F CB 0.316 39.566 39.000 0.418 0.000 1.150 656 F HN -0.058 nan 8.300 nan 0.000 0.467 657 D N 2.272 122.772 120.400 0.166 0.000 2.451 657 D HA 0.344 4.985 4.640 0.003 0.000 0.259 657 D C 1.124 177.435 176.300 0.019 0.000 1.201 657 D CA -0.362 53.626 54.000 -0.019 0.000 1.028 657 D CB 0.685 41.448 40.800 -0.061 0.000 1.095 657 D HN 0.767 nan 8.370 nan 0.000 0.539 658 A N -0.787 121.895 122.820 -0.230 0.000 2.076 658 A HA -0.188 4.133 4.320 0.003 0.000 0.220 658 A C 1.295 178.782 177.584 -0.161 0.000 1.160 658 A CA 1.123 52.988 52.037 -0.286 0.000 0.653 658 A CB -0.993 17.591 19.000 -0.694 0.000 0.801 658 A HN 0.567 nan 8.150 nan 0.000 0.455 659 Y N -2.163 118.189 120.300 0.086 0.000 2.457 659 Y HA 0.274 4.825 4.550 0.003 0.000 0.263 659 Y C 1.042 176.980 175.900 0.064 0.000 1.164 659 Y CA -0.083 58.067 58.100 0.083 0.000 1.274 659 Y CB 0.229 38.724 38.460 0.058 0.000 1.097 659 Y HN 0.200 nan 8.280 nan 0.000 0.523 660 M N -1.097 118.630 119.600 0.211 0.000 3.000 660 M HA -0.230 4.251 4.480 0.003 0.000 0.210 660 M C -0.566 175.874 176.300 0.233 0.000 0.585 660 M CA 0.492 55.879 55.300 0.145 0.000 0.798 660 M CB -1.684 30.870 32.600 -0.078 0.000 2.852 660 M HN 0.250 nan 8.290 nan 0.000 0.310 661 D N 1.726 122.233 120.400 0.178 0.000 2.344 661 D HA 0.467 5.109 4.640 0.003 0.000 0.244 661 D C 0.068 176.327 176.300 -0.068 0.000 1.134 661 D CA 0.470 54.507 54.000 0.061 0.000 0.930 661 D CB 0.675 41.518 40.800 0.072 0.000 1.175 661 D HN 0.358 nan 8.370 nan 0.000 0.437 662 Q N 1.466 121.112 119.800 -0.256 0.000 2.330 662 Q HA 0.353 4.695 4.340 0.003 0.000 0.269 662 Q C -0.278 175.406 176.000 -0.528 0.000 1.022 662 Q CA -0.948 54.512 55.803 -0.573 0.000 0.796 662 Q CB 1.758 29.880 28.738 -1.027 0.000 1.271 662 Q HN 0.441 nan 8.270 nan 0.000 0.450 663 N N 0.348 118.810 118.700 -0.398 0.000 3.100 663 N HA 0.330 5.071 4.740 0.003 0.000 0.344 663 N C 0.899 176.299 175.510 -0.184 0.000 1.413 663 N CA -0.256 52.647 53.050 -0.245 0.000 0.752 663 N CB -0.183 38.273 38.487 -0.052 0.000 1.519 663 N HN 0.461 nan 8.380 nan 0.000 0.620 664 G N -0.441 108.442 108.800 0.139 0.000 2.469 664 G HA2 -0.228 3.734 3.960 0.003 0.000 0.220 664 G HA3 -0.228 3.734 3.960 0.003 0.000 0.220 664 G C 1.319 176.371 174.900 0.253 0.000 1.136 664 G CA 1.868 47.198 45.100 0.383 0.000 0.759 664 G HN 0.825 nan 8.290 nan 0.000 0.562 665 A N -0.362 122.517 122.820 0.098 0.000 1.897 665 A HA 0.056 4.378 4.320 0.003 0.000 0.215 665 A C 2.176 179.699 177.584 -0.100 0.000 1.181 665 A CA 1.540 53.572 52.037 -0.008 0.000 0.620 665 A CB -0.606 18.390 19.000 -0.007 0.000 0.821 665 A HN 0.449 nan 8.150 nan 0.000 0.443 666 Y N -0.780 119.402 120.300 -0.196 0.000 2.145 666 Y HA -0.288 4.264 4.550 0.003 0.000 0.286 666 Y C 2.251 178.045 175.900 -0.177 0.000 1.145 666 Y CA 2.256 60.216 58.100 -0.234 0.000 1.148 666 Y CB -0.326 37.948 38.460 -0.310 0.000 0.981 666 Y HN 0.391 nan 8.280 nan 0.000 0.507 667 Y N -0.482 119.906 120.300 0.146 0.000 2.242 667 Y HA -0.052 4.500 4.550 0.003 0.000 0.291 667 Y C 2.644 178.366 175.900 -0.296 0.000 1.137 667 Y CA 0.820 58.962 58.100 0.070 0.000 1.181 667 Y CB -1.345 37.294 38.460 0.297 0.000 0.989 667 Y HN 0.178 nan 8.280 nan 0.000 0.527 668 G N -0.497 108.035 108.800 -0.448 0.000 2.422 668 G HA2 -0.188 3.774 3.960 0.003 0.000 0.218 668 G HA3 -0.188 3.774 3.960 0.003 0.000 0.218 668 G C 1.927 176.511 174.900 -0.526 0.000 1.146 668 G CA 1.075 45.620 45.100 -0.925 0.000 0.769 668 G HN 0.468 nan 8.290 nan 0.000 0.547 669 A N 0.694 123.239 122.820 -0.457 0.000 1.897 669 A HA 0.074 4.395 4.320 0.003 0.000 0.215 669 A C 2.191 179.412 177.584 -0.606 0.000 1.181 669 A CA 2.006 53.689 52.037 -0.590 0.000 0.620 669 A CB -0.399 18.196 19.000 -0.674 0.000 0.821 669 A HN 0.392 nan 8.150 nan 0.000 0.443 670 K N -0.226 119.885 120.400 -0.482 0.000 2.103 670 K HA -0.231 4.091 4.320 0.003 0.000 0.207 670 K C 2.067 178.521 176.600 -0.243 0.000 1.048 670 K CA 1.896 57.976 56.287 -0.345 0.000 0.930 670 K CB -0.096 32.288 32.500 -0.194 0.000 0.716 670 K HN 0.261 nan 8.250 nan 0.000 0.444 671 K N 0.729 121.002 120.400 -0.212 0.000 2.001 671 K HA -0.003 4.319 4.320 0.003 0.000 0.208 671 K C 1.803 178.230 176.600 -0.289 0.000 1.048 671 K CA 1.604 57.830 56.287 -0.103 0.000 0.932 671 K CB -0.601 31.893 32.500 -0.009 0.000 0.715 671 K HN 0.210 nan 8.250 nan 0.000 0.437 672 A N 0.851 123.436 122.820 -0.391 0.000 1.978 672 A HA -0.149 4.173 4.320 0.003 0.000 0.220 672 A C 1.592 178.791 177.584 -0.642 0.000 1.170 672 A CA 1.908 53.639 52.037 -0.509 0.000 0.636 672 A CB -0.484 18.354 19.000 -0.270 0.000 0.810 672 A HN 0.479 nan 8.150 nan 0.000 0.448 673 N N -0.038 118.350 118.700 -0.521 0.000 2.230 673 N HA 0.055 4.796 4.740 0.003 0.000 0.202 673 N C -0.538 174.816 175.510 -0.259 0.000 1.119 673 N CA -0.062 52.743 53.050 -0.408 0.000 0.851 673 N CB 0.283 38.471 38.487 -0.497 0.000 0.990 673 N HN 0.610 nan 8.380 nan 0.000 0.497 674 E N 1.792 121.862 120.200 -0.216 0.000 2.604 674 E HA -0.100 4.252 4.350 0.003 0.000 0.267 674 E C -1.280 175.317 176.600 -0.005 0.000 0.970 674 E CA -0.879 55.492 56.400 -0.047 0.000 0.956 674 E CB 0.694 30.461 29.700 0.112 0.000 0.939 674 E HN 0.170 nan 8.360 nan 0.000 0.465 675 P HA -0.141 nan 4.420 nan 0.000 0.218 675 P C 0.033 177.359 177.300 0.043 0.000 1.148 675 P CA 1.146 64.249 63.100 0.006 0.000 0.822 675 P CB 0.298 31.997 31.700 -0.003 0.000 0.784 676 L N -0.682 120.585 121.223 0.073 0.000 2.457 676 L HA 0.498 4.839 4.340 0.003 0.000 0.266 676 L C -1.324 175.626 176.870 0.135 0.000 0.979 676 L CA -1.013 53.880 54.840 0.088 0.000 0.857 676 L CB 1.179 43.270 42.059 0.052 0.000 1.213 676 L HN -0.130 nan 8.230 nan 0.000 0.418 677 H N 3.808 122.905 119.070 0.045 0.000 2.600 677 H HA 0.643 5.201 4.556 0.003 0.000 0.357 677 H C -1.429 173.951 175.328 0.087 0.000 1.106 677 H CA -0.509 55.576 56.048 0.062 0.000 1.193 677 H CB 1.909 31.704 29.762 0.055 0.000 1.594 677 H HN 0.640 nan 8.280 nan 0.000 0.526 678 I N 5.151 125.393 120.570 -0.546 0.000 2.377 678 I HA 0.305 4.477 4.170 0.003 0.000 0.293 678 I C -1.011 174.879 176.117 -0.378 0.000 0.987 678 I CA -0.274 60.845 61.300 -0.301 0.000 1.185 678 I CB 0.759 38.697 38.000 -0.105 0.000 1.341 678 I HN 0.791 nan 8.210 nan 0.000 0.455 679 Q N 6.198 126.001 119.800 0.004 0.000 2.605 679 Q HA 0.410 4.752 4.340 0.003 0.000 0.296 679 Q C -1.910 174.208 176.000 0.196 0.000 1.056 679 Q CA -0.920 55.049 55.803 0.277 0.000 0.778 679 Q CB 2.505 31.522 28.738 0.465 0.000 1.497 679 Q HN 0.653 nan 8.270 nan 0.000 0.443 680 Y N 0.482 120.748 120.300 -0.056 0.000 2.329 680 Y HA 0.410 4.962 4.550 0.003 0.000 0.328 680 Y C -1.325 174.415 175.900 -0.268 0.000 0.992 680 Y CA -0.595 57.265 58.100 -0.400 0.000 1.151 680 Y CB 2.206 39.992 38.460 -1.123 0.000 1.150 680 Y HN 0.745 nan 8.280 nan 0.000 0.450 681 S N 5.346 120.669 115.700 -0.627 0.000 2.465 681 S HA 0.026 4.498 4.470 0.003 0.000 0.280 681 S C 0.494 174.563 174.600 -0.884 0.000 1.232 681 S CA -0.250 57.548 58.200 -0.671 0.000 1.066 681 S CB 0.210 63.093 63.200 -0.529 0.000 0.929 681 S HN 0.858 nan 8.310 nan 0.000 0.494 682 H N 2.190 120.783 119.070 -0.795 0.000 2.491 682 H HA -0.095 4.463 4.556 0.003 0.000 0.290 682 H C 1.864 176.990 175.328 -0.338 0.000 1.050 682 H CA 1.958 57.819 56.048 -0.313 0.000 1.309 682 H CB 0.180 29.946 29.762 0.006 0.000 1.392 682 H HN 0.719 nan 8.280 nan 0.000 0.554 683 D N -0.133 119.985 120.400 -0.470 0.000 2.154 683 D HA -0.121 4.521 4.640 0.003 0.000 0.211 683 D C 1.258 177.435 176.300 -0.204 0.000 0.977 683 D CA 1.112 54.975 54.000 -0.228 0.000 0.869 683 D CB -0.659 40.050 40.800 -0.153 0.000 1.022 683 D HN 0.423 nan 8.370 nan 0.000 0.461 684 N N -0.303 118.235 118.700 -0.270 0.000 2.238 684 N HA 0.086 4.828 4.740 0.003 0.000 0.222 684 N C -0.023 175.321 175.510 -0.276 0.000 1.133 684 N CA -0.343 52.584 53.050 -0.205 0.000 0.854 684 N CB -0.014 38.386 38.487 -0.145 0.000 1.041 684 N HN 0.177 nan 8.380 nan 0.000 0.510 685 R N -0.896 119.341 120.500 -0.438 0.000 4.000 685 R HA -0.172 4.170 4.340 0.003 0.000 0.348 685 R C -0.612 175.334 176.300 -0.590 0.000 1.204 685 R CA 1.103 56.839 56.100 -0.607 0.000 0.987 685 R CB -2.559 27.579 30.300 -0.270 0.000 1.446 685 R HN 0.621 nan 8.270 nan 0.000 0.555 686 S N -0.453 114.970 115.700 -0.461 0.000 2.548 686 S HA 0.448 4.920 4.470 0.003 0.000 0.277 686 S C 0.470 174.898 174.600 -0.287 0.000 1.315 686 S CA -0.897 57.132 58.200 -0.286 0.000 1.050 686 S CB 2.215 65.316 63.200 -0.166 0.000 0.918 686 S HN 0.072 nan 8.310 nan 0.000 0.497 687 V N 4.077 123.906 119.914 -0.140 0.000 2.364 687 V HA 0.364 4.485 4.120 0.003 0.000 0.272 687 V C -0.141 175.950 176.094 -0.006 0.000 1.036 687 V CA -0.486 61.785 62.300 -0.048 0.000 0.880 687 V CB 0.816 32.655 31.823 0.028 0.000 0.991 687 V HN 0.840 nan 8.190 nan 0.000 0.460 688 V N 5.754 125.683 119.914 0.024 0.000 2.628 688 V HA 0.518 4.640 4.120 0.003 0.000 0.306 688 V C -0.137 176.001 176.094 0.073 0.000 1.045 688 V CA -0.778 61.556 62.300 0.056 0.000 0.905 688 V CB 2.154 34.028 31.823 0.085 0.000 0.997 688 V HN 0.514 nan 8.190 nan 0.000 0.436 689 V N 5.204 125.159 119.914 0.068 0.000 2.398 689 V HA 0.477 4.599 4.120 0.003 0.000 0.286 689 V C -0.235 175.922 176.094 0.105 0.000 1.026 689 V CA -0.397 61.945 62.300 0.070 0.000 0.868 689 V CB 1.515 33.366 31.823 0.047 0.000 0.982 689 V HN 0.570 nan 8.190 nan 0.000 0.443 690 I N 4.253 124.910 120.570 0.146 0.000 2.441 690 I HA 0.422 4.593 4.170 0.003 0.000 0.295 690 I C -0.248 175.946 176.117 0.128 0.000 0.994 690 I CA -0.475 60.918 61.300 0.154 0.000 1.144 690 I CB 1.855 39.970 38.000 0.192 0.000 1.314 690 I HN 0.597 nan 8.210 nan 0.000 0.445 691 N N 5.420 124.182 118.700 0.103 0.000 2.564 691 N HA 0.218 4.960 4.740 0.003 0.000 0.248 691 N C 0.368 175.919 175.510 0.069 0.000 0.986 691 N CA -0.318 52.778 53.050 0.077 0.000 0.921 691 N CB 1.186 39.711 38.487 0.063 0.000 1.136 691 N HN 0.353 nan 8.380 nan 0.000 0.509 692 Q N 0.531 120.360 119.800 0.048 0.000 2.424 692 Q HA 0.037 4.378 4.340 0.003 0.000 0.204 692 Q C 0.550 176.557 176.000 0.013 0.000 0.933 692 Q CA 0.328 56.146 55.803 0.024 0.000 0.929 692 Q CB -0.096 28.638 28.738 -0.007 0.000 1.037 692 Q HN 0.774 nan 8.270 nan 0.000 0.511 693 T N -1.161 113.399 114.554 0.011 0.000 2.754 693 T HA 0.141 4.493 4.350 0.003 0.000 0.286 693 T C 1.211 175.905 174.700 -0.011 0.000 0.997 693 T CA 0.021 62.115 62.100 -0.010 0.000 0.982 693 T CB 1.075 69.934 68.868 -0.015 0.000 1.027 693 T HN 0.112 nan 8.240 nan 0.000 0.529 694 S N 0.136 115.811 115.700 -0.042 0.000 2.605 694 S HA 0.216 4.687 4.470 0.003 0.000 0.217 694 S C 0.296 174.867 174.600 -0.049 0.000 0.958 694 S CA -0.742 57.425 58.200 -0.055 0.000 0.919 694 S CB -0.599 62.525 63.200 -0.127 0.000 0.780 694 S HN 0.671 nan 8.310 nan 0.000 0.507 695 N N 0.899 119.580 118.700 -0.032 0.000 2.262 695 N HA 0.590 5.331 4.740 0.003 0.000 0.295 695 N C -0.834 174.675 175.510 -0.001 0.000 1.161 695 N CA -0.420 52.618 53.050 -0.021 0.000 0.767 695 N CB 2.064 40.532 38.487 -0.032 0.000 1.499 695 N HN 0.263 nan 8.380 nan 0.000 0.476 696 A N 0.629 123.452 122.820 0.005 0.000 2.366 696 A HA 0.500 4.822 4.320 0.003 0.000 0.249 696 A C -0.115 177.475 177.584 0.009 0.000 1.084 696 A CA -0.079 51.966 52.037 0.013 0.000 0.794 696 A CB 0.375 19.384 19.000 0.015 0.000 1.034 696 A HN 0.366 nan 8.150 nan 0.000 0.491 697 V N 0.960 120.882 119.914 0.014 0.000 2.709 697 V HA 0.544 4.666 4.120 0.003 0.000 0.308 697 V C 0.218 176.320 176.094 0.013 0.000 1.062 697 V CA -0.411 61.896 62.300 0.012 0.000 0.901 697 V CB 2.072 33.905 31.823 0.016 0.000 1.003 697 V HN 0.978 nan 8.190 nan 0.000 0.425 698 S N 1.616 117.322 115.700 0.009 0.000 2.704 698 S HA 0.727 5.199 4.470 0.003 0.000 0.305 698 S C 0.773 175.378 174.600 0.008 0.000 1.107 698 S CA 0.287 58.492 58.200 0.009 0.000 0.993 698 S CB 1.603 64.806 63.200 0.006 0.000 1.110 698 S HN 1.785 nan 8.310 nan 0.000 0.534 699 G N 1.075 109.880 108.800 0.008 0.000 2.305 699 G HA2 -0.219 3.743 3.960 0.003 0.000 0.287 699 G HA3 -0.219 3.743 3.960 0.003 0.000 0.287 699 G C -0.202 174.703 174.900 0.007 0.000 1.036 699 G CA 0.259 45.362 45.100 0.006 0.000 0.887 699 G HN 0.492 nan 8.290 nan 0.000 0.505 700 L N 0.223 121.452 121.223 0.010 0.000 2.371 700 L HA 0.571 4.913 4.340 0.003 0.000 0.272 700 L C 1.037 177.912 176.870 0.009 0.000 1.124 700 L CA -0.024 54.823 54.840 0.011 0.000 0.816 700 L CB 1.615 43.683 42.059 0.015 0.000 1.129 700 L HN 0.263 nan 8.230 nan 0.000 0.448 701 T N 2.178 116.736 114.554 0.008 0.000 2.771 701 T HA 0.687 5.039 4.350 0.003 0.000 0.281 701 T C -0.473 174.232 174.700 0.008 0.000 0.982 701 T CA -0.570 61.534 62.100 0.006 0.000 0.978 701 T CB 1.117 69.986 68.868 0.002 0.000 0.930 701 T HN 0.666 nan 8.240 nan 0.000 0.447 702 A N 4.184 127.010 122.820 0.010 0.000 2.287 702 A HA 0.682 5.004 4.320 0.003 0.000 0.317 702 A C 0.101 177.695 177.584 0.016 0.000 1.220 702 A CA -0.682 51.364 52.037 0.016 0.000 0.835 702 A CB 0.939 19.952 19.000 0.021 0.000 1.180 702 A HN 0.829 nan 8.150 nan 0.000 0.500 703 T N 2.014 116.577 114.554 0.016 0.000 2.809 703 T HA 0.570 4.922 4.350 0.003 0.000 0.284 703 T C -0.076 174.643 174.700 0.032 0.000 0.992 703 T CA -0.254 61.852 62.100 0.011 0.000 0.957 703 T CB 1.265 70.127 68.868 -0.010 0.000 0.942 703 T HN 0.818 nan 8.240 nan 0.000 0.439 704 T N 2.868 117.459 114.554 0.061 0.000 2.856 704 T HA 0.714 5.066 4.350 0.003 0.000 0.283 704 T C -1.189 173.587 174.700 0.127 0.000 1.008 704 T CA -0.724 61.443 62.100 0.111 0.000 0.997 704 T CB 0.785 69.749 68.868 0.161 0.000 0.992 704 T HN 0.515 nan 8.240 nan 0.000 0.454 705 K N 3.453 123.923 120.400 0.117 0.000 2.550 705 K HA 0.482 4.803 4.320 0.003 0.000 0.252 705 K C -1.159 175.483 176.600 0.071 0.000 0.943 705 K CA -0.722 55.589 56.287 0.040 0.000 0.806 705 K CB 2.131 34.577 32.500 -0.091 0.000 1.289 705 K HN 0.521 nan 8.250 nan 0.000 0.435 706 L N 3.123 124.364 121.223 0.030 0.000 2.322 706 L HA 0.543 4.885 4.340 0.003 0.000 0.279 706 L C -0.984 175.831 176.870 -0.091 0.000 1.036 706 L CA -0.855 54.039 54.840 0.090 0.000 0.807 706 L CB 0.664 42.780 42.059 0.095 0.000 1.226 706 L HN 0.570 nan 8.230 nan 0.000 0.433 707 Y N 0.686 121.118 120.300 0.220 0.000 2.492 707 Y HA 0.339 4.891 4.550 0.003 0.000 0.346 707 Y C 0.022 176.054 175.900 0.219 0.000 0.997 707 Y CA -0.984 57.248 58.100 0.220 0.000 1.025 707 Y CB 1.915 40.578 38.460 0.338 0.000 1.263 707 Y HN 0.496 nan 8.280 nan 0.000 0.454 708 N N 1.802 120.685 118.700 0.306 0.000 2.515 708 N HA 0.302 5.044 4.740 0.003 0.000 0.279 708 N C 0.654 176.280 175.510 0.193 0.000 1.164 708 N CA -0.374 52.803 53.050 0.212 0.000 0.982 708 N CB 1.159 39.720 38.487 0.122 0.000 1.170 708 N HN 0.697 nan 8.380 nan 0.000 0.474 709 L N 0.468 121.762 121.223 0.118 0.000 2.633 709 L HA -0.126 4.215 4.340 0.003 0.000 0.235 709 L C 0.939 177.836 176.870 0.046 0.000 1.163 709 L CA 0.785 55.655 54.840 0.050 0.000 0.859 709 L CB -0.389 41.677 42.059 0.012 0.000 0.973 709 L HN 0.562 nan 8.230 nan 0.000 0.451 710 D N -1.303 119.142 120.400 0.075 0.000 2.354 710 D HA 0.048 4.690 4.640 0.003 0.000 0.209 710 D C 1.513 177.868 176.300 0.091 0.000 1.015 710 D CA 0.900 54.939 54.000 0.065 0.000 0.867 710 D CB 0.407 41.242 40.800 0.058 0.000 0.933 710 D HN 0.162 nan 8.370 nan 0.000 0.520 711 G N -0.752 108.140 108.800 0.155 0.000 2.296 711 G HA2 -0.196 3.766 3.960 0.003 0.000 0.188 711 G HA3 -0.196 3.766 3.960 0.003 0.000 0.188 711 G C 0.254 175.377 174.900 0.372 0.000 1.000 711 G CA -0.033 45.210 45.100 0.238 0.000 0.672 711 G HN 0.339 nan 8.290 nan 0.000 0.483 712 T N 1.919 116.624 114.554 0.252 0.000 2.784 712 T HA 0.390 4.741 4.350 0.003 0.000 0.291 712 T C 0.367 175.140 174.700 0.121 0.000 0.942 712 T CA 0.373 62.575 62.100 0.170 0.000 1.161 712 T CB 1.507 70.428 68.868 0.088 0.000 0.885 712 T HN 0.469 nan 8.240 nan 0.000 0.534 713 E N 2.563 122.750 120.200 -0.020 0.000 2.415 713 E HA 0.001 4.353 4.350 0.003 0.000 0.263 713 E C 0.623 177.102 176.600 -0.201 0.000 0.995 713 E CA -0.161 56.010 56.400 -0.381 0.000 0.915 713 E CB 0.376 29.850 29.700 -0.376 0.000 0.951 713 E HN 0.362 nan 8.360 nan 0.000 0.449 714 K N 3.334 123.613 120.400 -0.202 0.000 2.425 714 K HA 0.088 4.410 4.320 0.003 0.000 0.201 714 K C -0.755 175.844 176.600 -0.002 0.000 1.128 714 K CA 0.036 56.274 56.287 -0.081 0.000 1.000 714 K CB 0.737 33.196 32.500 -0.068 0.000 0.961 714 K HN 0.581 nan 8.250 nan 0.000 0.555 715 Y N -0.547 119.637 120.300 -0.192 0.000 2.592 715 Y HA 0.453 5.004 4.550 0.003 0.000 0.334 715 Y C -1.568 174.234 175.900 -0.165 0.000 1.136 715 Y CA -0.758 57.257 58.100 -0.142 0.000 1.042 715 Y CB 1.887 40.286 38.460 -0.101 0.000 1.325 715 Y HN -0.140 nan 8.280 nan 0.000 0.457 716 S N 3.338 118.536 115.700 -0.836 0.000 2.550 716 S HA 0.627 5.098 4.470 0.003 0.000 0.270 716 S C -2.273 171.870 174.600 -0.761 0.000 1.145 716 S CA -0.625 57.228 58.200 -0.577 0.000 0.852 716 S CB 1.557 64.559 63.200 -0.331 0.000 1.119 716 S HN 0.867 nan 8.310 nan 0.000 0.465 717 N N 0.991 119.490 118.700 -0.336 0.000 2.537 717 N HA 0.409 5.150 4.740 0.003 0.000 0.281 717 N C -1.956 173.512 175.510 -0.070 0.000 1.097 717 N CA -0.250 52.689 53.050 -0.185 0.000 0.964 717 N CB 1.915 40.397 38.487 -0.007 0.000 1.588 717 N HN 0.440 nan 8.380 nan 0.000 0.511 718 T N 2.364 116.878 114.554 -0.067 0.000 2.809 718 T HA 0.311 4.662 4.350 0.003 0.000 0.296 718 T C -0.525 174.163 174.700 -0.020 0.000 1.015 718 T CA -0.398 61.681 62.100 -0.035 0.000 0.954 718 T CB 0.739 69.583 68.868 -0.041 0.000 0.950 718 T HN 0.410 nan 8.240 nan 0.000 0.450 719 K N 3.255 123.653 120.400 -0.003 0.000 2.211 719 K HA 0.549 4.870 4.320 0.003 0.000 0.275 719 K C 0.184 176.784 176.600 0.001 0.000 1.024 719 K CA -0.404 55.884 56.287 0.001 0.000 0.887 719 K CB 0.505 33.012 32.500 0.012 0.000 1.084 719 K HN 0.636 nan 8.250 nan 0.000 0.463 720 T N 0.269 114.823 114.554 -0.002 0.000 2.949 720 T HA 0.587 4.939 4.350 0.003 0.000 0.287 720 T C 0.635 175.336 174.700 0.002 0.000 1.034 720 T CA -0.441 61.658 62.100 -0.001 0.000 1.018 720 T CB 1.419 70.285 68.868 -0.004 0.000 1.135 720 T HN 0.968 nan 8.240 nan 0.000 0.532 721 G N 0.586 109.387 108.800 0.003 0.000 2.323 721 G HA2 -0.192 3.770 3.960 0.003 0.000 0.292 721 G HA3 -0.192 3.770 3.960 0.003 0.000 0.292 721 G C -0.137 174.767 174.900 0.007 0.000 1.040 721 G CA 0.029 45.131 45.100 0.004 0.000 0.942 721 G HN 0.870 nan 8.290 nan 0.000 0.506 722 L N 0.593 121.821 121.223 0.009 0.000 2.331 722 L HA 0.463 4.805 4.340 0.003 0.000 0.278 722 L C 0.445 177.323 176.870 0.015 0.000 1.106 722 L CA -0.031 54.817 54.840 0.013 0.000 0.824 722 L CB 1.219 43.287 42.059 0.016 0.000 1.142 722 L HN 0.230 nan 8.230 nan 0.000 0.443 723 S N 2.837 118.546 115.700 0.016 0.000 2.500 723 S HA 0.616 5.088 4.470 0.003 0.000 0.301 723 S C -0.984 173.630 174.600 0.023 0.000 1.092 723 S CA -0.466 57.744 58.200 0.017 0.000 1.030 723 S CB 2.256 65.464 63.200 0.014 0.000 1.031 723 S HN 0.386 nan 8.310 nan 0.000 0.483 724 V N 3.104 123.034 119.914 0.027 0.000 2.760 724 V HA 0.828 4.950 4.120 0.003 0.000 0.309 724 V C 0.466 176.582 176.094 0.036 0.000 1.077 724 V CA -0.316 62.005 62.300 0.035 0.000 0.910 724 V CB 1.622 33.471 31.823 0.045 0.000 1.008 724 V HN 0.940 nan 8.190 nan 0.000 0.424 725 G N 3.682 112.507 108.800 0.041 0.000 2.631 725 G HA2 0.606 4.568 3.960 0.003 0.000 0.271 725 G HA3 0.606 4.568 3.960 0.003 0.000 0.271 725 G C 0.145 175.077 174.900 0.053 0.000 1.302 725 G CA 0.062 45.187 45.100 0.043 0.000 1.002 725 G HN 1.507 nan 8.290 nan 0.000 0.519 726 A N -1.589 121.263 122.820 0.054 0.000 2.242 726 A HA 0.632 4.954 4.320 0.003 0.000 0.304 726 A C 0.780 178.420 177.584 0.093 0.000 1.100 726 A CA -0.517 51.554 52.037 0.058 0.000 0.860 726 A CB 0.240 19.263 19.000 0.038 0.000 1.168 726 A HN 1.440 nan 8.150 nan 0.000 0.503 727 L N -0.675 120.600 121.223 0.087 0.000 3.678 727 L HA -0.277 4.065 4.340 0.003 0.000 0.425 727 L C 1.066 178.046 176.870 0.183 0.000 1.240 727 L CA 0.719 55.627 54.840 0.114 0.000 0.876 727 L CB -2.123 40.015 42.059 0.132 0.000 1.766 727 L HN 1.983 nan 8.230 nan 0.000 0.917 728 G N -1.987 106.909 108.800 0.161 0.000 2.134 728 G HA2 0.041 4.003 3.960 0.003 0.000 0.209 728 G HA3 0.041 4.003 3.960 0.003 0.000 0.209 728 G C 0.285 175.358 174.900 0.289 0.000 0.993 728 G CA -0.018 45.216 45.100 0.222 0.000 0.669 728 G HN 1.251 nan 8.290 nan 0.000 0.519 729 A N -0.083 122.849 122.820 0.187 0.000 2.351 729 A HA 0.771 5.092 4.320 0.003 0.000 0.257 729 A C 0.607 178.259 177.584 0.112 0.000 1.087 729 A CA 0.784 52.898 52.037 0.128 0.000 0.798 729 A CB 0.555 19.607 19.000 0.086 0.000 1.033 729 A HN 1.230 nan 8.150 nan 0.000 0.488 730 K N -0.067 120.387 120.400 0.091 0.000 2.331 730 K HA 0.910 5.231 4.320 0.003 0.000 0.238 730 K C -0.742 175.894 176.600 0.060 0.000 1.058 730 K CA -0.457 55.882 56.287 0.086 0.000 0.871 730 K CB 2.040 34.598 32.500 0.097 0.000 1.292 730 K HN 1.360 nan 8.250 nan 0.000 0.470 731 A N 0.331 123.185 122.820 0.055 0.000 2.594 731 A HA 0.447 4.768 4.320 0.003 0.000 0.296 731 A C -1.337 176.268 177.584 0.035 0.000 1.056 731 A CA -0.865 51.195 52.037 0.038 0.000 0.693 731 A CB 1.491 20.511 19.000 0.033 0.000 1.278 731 A HN 0.604 nan 8.150 nan 0.000 0.408 732 T N 1.657 116.225 114.554 0.023 0.000 2.845 732 T HA 0.545 4.896 4.350 0.003 0.000 0.288 732 T C 1.356 176.065 174.700 0.015 0.000 0.980 732 T CA 0.301 62.410 62.100 0.014 0.000 1.071 732 T CB 1.655 70.524 68.868 0.001 0.000 0.941 732 T HN 1.269 nan 8.240 nan 0.000 0.487 733 A N 3.012 125.843 122.820 0.017 0.000 1.887 733 A HA 0.567 4.889 4.320 0.003 0.000 0.212 733 A C 0.755 178.355 177.584 0.026 0.000 1.198 733 A CA 0.421 52.471 52.037 0.023 0.000 0.628 733 A CB 0.234 19.252 19.000 0.031 0.000 0.847 733 A HN 0.631 nan 8.150 nan 0.000 0.449 734 V N -1.547 118.382 119.914 0.025 0.000 3.236 734 V HA 0.420 4.541 4.120 0.003 0.000 0.287 734 V C -1.616 174.475 176.094 -0.004 0.000 1.491 734 V CA -0.456 61.863 62.300 0.032 0.000 1.037 734 V CB 2.120 33.998 31.823 0.091 0.000 1.160 734 V HN 0.187 nan 8.190 nan 0.000 0.453 735 T N 3.743 118.284 114.554 -0.022 0.000 2.853 735 T HA 0.409 4.761 4.350 0.003 0.000 0.317 735 T C -0.285 174.359 174.700 -0.092 0.000 1.059 735 T CA -0.230 61.824 62.100 -0.077 0.000 0.954 735 T CB 0.936 69.756 68.868 -0.080 0.000 0.994 735 T HN 0.640 nan 8.240 nan 0.000 0.479 736 V N 7.720 127.547 119.914 -0.146 0.000 2.583 736 V HA 0.055 4.177 4.120 0.003 0.000 0.302 736 V C -1.393 174.551 176.094 -0.250 0.000 1.033 736 V CA -0.762 61.355 62.300 -0.305 0.000 1.194 736 V CB -0.495 31.161 31.823 -0.278 0.000 0.879 736 V HN 0.687 nan 8.190 nan 0.000 0.482 737 P HA 0.388 nan 4.420 nan 0.000 0.280 737 P C -0.614 176.588 177.300 -0.164 0.000 1.272 737 P CA -0.720 62.290 63.100 -0.149 0.000 0.819 737 P CB 0.894 32.552 31.700 -0.070 0.000 1.122 738 A N 1.054 123.813 122.820 -0.103 0.000 2.545 738 A HA 0.277 4.599 4.320 0.003 0.000 0.253 738 A C 0.119 177.641 177.584 -0.102 0.000 1.074 738 A CA 0.160 52.141 52.037 -0.094 0.000 0.760 738 A CB -0.865 18.098 19.000 -0.062 0.000 1.005 738 A HN 0.330 nan 8.150 nan 0.000 0.506 739 V N 3.923 123.755 119.914 -0.138 0.000 2.417 739 V HA 0.419 4.541 4.120 0.003 0.000 0.291 739 V C 0.709 176.731 176.094 -0.121 0.000 1.024 739 V CA -0.131 62.096 62.300 -0.123 0.000 0.861 739 V CB 1.613 33.341 31.823 -0.157 0.000 0.985 739 V HN 1.094 nan 8.190 nan 0.000 0.436 740 S N 3.153 118.808 115.700 -0.076 0.000 2.580 740 S HA 0.572 5.043 4.470 0.003 0.000 0.274 740 S C 1.141 175.695 174.600 -0.076 0.000 1.329 740 S CA 0.348 58.507 58.200 -0.067 0.000 1.036 740 S CB 1.197 64.373 63.200 -0.040 0.000 0.919 740 S HN 2.241 nan 8.310 nan 0.000 0.515 741 G N 1.145 109.903 108.800 -0.070 0.000 2.179 741 G HA2 -0.217 3.745 3.960 0.003 0.000 0.260 741 G HA3 -0.217 3.745 3.960 0.003 0.000 0.260 741 G C -0.034 174.817 174.900 -0.081 0.000 0.977 741 G CA 0.123 45.187 45.100 -0.059 0.000 0.641 741 G HN 0.799 nan 8.290 nan 0.000 0.533 742 L N 2.177 123.310 121.223 -0.150 0.000 2.453 742 L HA 0.381 4.723 4.340 0.003 0.000 0.272 742 L C 1.549 178.357 176.870 -0.105 0.000 1.182 742 L CA 0.193 54.895 54.840 -0.230 0.000 0.858 742 L CB 0.799 42.525 42.059 -0.556 0.000 1.120 742 L HN 0.458 nan 8.230 nan 0.000 0.474 743 S N 0.916 116.606 115.700 -0.016 0.000 2.589 743 S HA 0.082 4.554 4.470 0.003 0.000 0.265 743 S C 1.146 175.812 174.600 0.110 0.000 1.342 743 S CA -0.563 57.670 58.200 0.055 0.000 1.005 743 S CB 1.105 64.356 63.200 0.085 0.000 0.909 743 S HN 0.666 nan 8.310 nan 0.000 0.555 744 T N 1.446 116.056 114.554 0.093 0.000 2.652 744 T HA -0.051 4.301 4.350 0.003 0.000 0.267 744 T C 0.727 175.520 174.700 0.155 0.000 1.039 744 T CA 1.649 63.813 62.100 0.106 0.000 1.153 744 T CB -0.583 68.324 68.868 0.066 0.000 0.863 744 T HN 0.790 nan 8.240 nan 0.000 0.428 745 T N 2.520 117.144 114.554 0.116 0.000 2.767 745 T HA 0.556 4.907 4.350 0.003 0.000 0.288 745 T C -0.752 174.046 174.700 0.162 0.000 0.963 745 T CA -0.730 61.421 62.100 0.085 0.000 1.019 745 T CB 0.449 69.314 68.868 -0.006 0.000 0.923 745 T HN 0.473 nan 8.240 nan 0.000 0.468 746 Y N 0.891 121.199 120.300 0.013 0.000 2.615 746 Y HA 0.781 5.332 4.550 0.003 0.000 0.341 746 Y C -1.725 174.211 175.900 0.061 0.000 1.089 746 Y CA -1.835 56.285 58.100 0.035 0.000 1.049 746 Y CB 1.093 39.576 38.460 0.038 0.000 1.296 746 Y HN 0.421 nan 8.280 nan 0.000 0.470 747 L N 2.884 124.223 121.223 0.193 0.000 2.322 747 L HA 0.872 5.214 4.340 0.003 0.000 0.279 747 L C -0.203 176.825 176.870 0.262 0.000 1.036 747 L CA -1.201 53.746 54.840 0.178 0.000 0.807 747 L CB 1.735 43.974 42.059 0.300 0.000 1.226 747 L HN 0.911 nan 8.230 nan 0.000 0.433 748 A N 3.043 125.942 122.820 0.132 0.000 2.331 748 A HA 0.567 4.889 4.320 0.003 0.000 0.320 748 A C -0.683 177.028 177.584 0.212 0.000 1.138 748 A CA -0.610 51.486 52.037 0.099 0.000 0.790 748 A CB 1.179 20.018 19.000 -0.268 0.000 1.206 748 A HN 0.672 nan 8.150 nan 0.000 0.470 749 K N 3.134 123.638 120.400 0.173 0.000 2.521 749 K HA 0.254 4.575 4.320 0.003 0.000 0.248 749 K C -1.098 175.552 176.600 0.082 0.000 0.978 749 K CA -0.178 56.165 56.287 0.095 0.000 0.947 749 K CB 0.368 32.738 32.500 -0.217 0.000 1.165 749 K HN 0.885 nan 8.250 nan 0.000 0.445 750 N N 2.485 121.272 118.700 0.145 0.000 2.426 750 N HA 0.286 5.028 4.740 0.003 0.000 0.275 750 N C -1.198 174.356 175.510 0.073 0.000 1.019 750 N CA -0.690 52.429 53.050 0.114 0.000 0.941 750 N CB 1.903 40.488 38.487 0.162 0.000 1.123 750 N HN 0.076 nan 8.380 nan 0.000 0.486 751 V N 2.645 122.582 119.914 0.038 0.000 2.789 751 V HA 0.472 4.594 4.120 0.003 0.000 0.311 751 V C -0.811 175.293 176.094 0.016 0.000 1.073 751 V CA -0.780 61.535 62.300 0.026 0.000 0.921 751 V CB 2.042 33.874 31.823 0.014 0.000 1.009 751 V HN 0.429 nan 8.190 nan 0.000 0.426 752 L N 4.060 125.291 121.223 0.014 0.000 2.381 752 L HA 0.862 5.204 4.340 0.003 0.000 0.274 752 L C -0.035 176.844 176.870 0.015 0.000 0.988 752 L CA 0.240 55.086 54.840 0.011 0.000 0.824 752 L CB 2.355 44.415 42.059 0.003 0.000 1.263 752 L HN 0.904 nan 8.230 nan 0.000 0.410 753 T N -0.105 114.457 114.554 0.013 0.000 2.863 753 T HA 0.667 5.019 4.350 0.003 0.000 0.285 753 T C -0.548 174.159 174.700 0.012 0.000 1.009 753 T CA -0.924 61.184 62.100 0.013 0.000 0.989 753 T CB 1.517 70.391 68.868 0.011 0.000 1.004 753 T HN 0.571 nan 8.240 nan 0.000 0.455 754 D N 1.121 121.528 120.400 0.012 0.000 2.447 754 D HA 0.174 4.816 4.640 0.003 0.000 0.265 754 D C 1.632 177.937 176.300 0.008 0.000 1.250 754 D CA -0.382 53.625 54.000 0.011 0.000 1.046 754 D CB 0.031 40.837 40.800 0.010 0.000 1.095 754 D HN 0.499 nan 8.370 nan 0.000 0.555 755 S N -1.029 114.675 115.700 0.006 0.000 2.419 755 S HA -0.202 4.270 4.470 0.003 0.000 0.233 755 S C 1.671 176.273 174.600 0.004 0.000 1.016 755 S CA 1.122 59.325 58.200 0.004 0.000 0.974 755 S CB -0.943 62.259 63.200 0.003 0.000 0.786 755 S HN 0.572 nan 8.310 nan 0.000 0.492 756 S N 0.332 116.034 115.700 0.004 0.000 2.603 756 S HA 0.446 4.918 4.470 0.003 0.000 0.220 756 S C 1.556 176.159 174.600 0.005 0.000 0.967 756 S CA 0.306 58.508 58.200 0.004 0.000 0.920 756 S CB -0.565 62.637 63.200 0.003 0.000 0.773 756 S HN 1.465 nan 8.310 nan 0.000 0.529 757 G N 1.307 110.110 108.800 0.007 0.000 2.136 757 G HA2 -0.286 3.675 3.960 0.003 0.000 0.242 757 G HA3 -0.286 3.675 3.960 0.003 0.000 0.242 757 G C -0.101 174.805 174.900 0.010 0.000 0.989 757 G CA 0.258 45.363 45.100 0.008 0.000 0.682 757 G HN 0.670 nan 8.290 nan 0.000 0.522 758 K N 0.724 121.131 120.400 0.011 0.000 2.298 758 K HA 0.317 4.639 4.320 0.003 0.000 0.280 758 K C 0.395 177.006 176.600 0.017 0.000 1.032 758 K CA -0.445 55.851 56.287 0.014 0.000 0.958 758 K CB 0.417 32.925 32.500 0.013 0.000 0.978 758 K HN 0.295 nan 8.250 nan 0.000 0.472 759 E N 3.821 124.034 120.200 0.021 0.000 1.985 759 E HA -0.007 4.344 4.350 0.003 0.000 0.268 759 E C 0.860 177.477 176.600 0.028 0.000 1.219 759 E CA -0.341 56.074 56.400 0.025 0.000 0.942 759 E CB 0.366 30.084 29.700 0.029 0.000 1.045 759 E HN 0.524 nan 8.360 nan 0.000 0.413 760 V N 1.127 121.057 119.914 0.027 0.000 2.878 760 V HA 0.148 4.270 4.120 0.003 0.000 0.250 760 V C 0.722 176.842 176.094 0.043 0.000 1.075 760 V CA 0.329 62.649 62.300 0.033 0.000 1.096 760 V CB 0.614 32.455 31.823 0.029 0.000 0.724 760 V HN 0.345 nan 8.190 nan 0.000 0.467 761 S N 0.358 116.079 115.700 0.035 0.000 2.619 761 S HA 0.660 5.131 4.470 0.003 0.000 0.280 761 S C -0.816 173.802 174.600 0.031 0.000 1.150 761 S CA -0.785 57.436 58.200 0.034 0.000 0.978 761 S CB 1.642 64.832 63.200 -0.017 0.000 1.041 761 S HN 0.681 nan 8.310 nan 0.000 0.485 762 R N 3.481 124.016 120.500 0.059 0.000 2.451 762 R HA 0.539 4.881 4.340 0.003 0.000 0.307 762 R C -1.725 174.644 176.300 0.116 0.000 0.965 762 R CA -0.520 55.628 56.100 0.080 0.000 0.865 762 R CB 0.832 31.182 30.300 0.083 0.000 1.174 762 R HN 0.531 nan 8.270 nan 0.000 0.455 763 N N 3.816 122.600 118.700 0.139 0.000 2.519 763 N HA 0.250 4.992 4.740 0.003 0.000 0.286 763 N C -1.759 173.883 175.510 0.220 0.000 1.079 763 N CA -0.344 52.810 53.050 0.173 0.000 0.878 763 N CB 2.110 40.718 38.487 0.202 0.000 1.375 763 N HN 0.291 nan 8.380 nan 0.000 0.514 764 V N 4.526 124.548 119.914 0.180 0.000 2.398 764 V HA 0.466 4.587 4.120 0.003 0.000 0.286 764 V C -0.655 175.520 176.094 0.136 0.000 1.026 764 V CA -0.471 62.012 62.300 0.306 0.000 0.868 764 V CB 0.560 32.671 31.823 0.480 0.000 0.982 764 V HN 0.462 nan 8.190 nan 0.000 0.443 765 Y N 2.685 123.049 120.300 0.108 0.000 2.409 765 Y HA 0.547 5.098 4.550 0.003 0.000 0.339 765 Y C -0.137 175.747 175.900 -0.025 0.000 1.033 765 Y CA -0.829 57.184 58.100 -0.145 0.000 1.094 765 Y CB 1.605 39.827 38.460 -0.397 0.000 1.210 765 Y HN 0.783 nan 8.280 nan 0.000 0.456 766 W N 3.826 125.143 121.300 0.028 0.000 2.294 766 W HA 0.788 5.449 4.660 0.003 0.000 0.314 766 W C -1.954 174.441 176.519 -0.206 0.000 1.044 766 W CA -0.785 56.463 57.345 -0.162 0.000 1.284 766 W CB 0.130 29.475 29.460 -0.191 0.000 1.231 766 W HN 0.203 nan 8.180 nan 0.000 0.419 767 L N 2.875 123.865 121.223 -0.388 0.000 2.260 767 L HA 0.772 5.114 4.340 0.003 0.000 0.265 767 L C 0.015 176.661 176.870 -0.374 0.000 1.015 767 L CA -1.316 53.214 54.840 -0.517 0.000 0.826 767 L CB 1.959 43.475 42.059 -0.904 0.000 1.373 767 L HN 0.483 nan 8.230 nan 0.000 0.450 768 S N -1.733 113.902 115.700 -0.107 0.000 2.575 768 S HA 0.272 4.744 4.470 0.003 0.000 0.278 768 S C 0.544 175.287 174.600 0.239 0.000 1.139 768 S CA -0.301 57.964 58.200 0.109 0.000 0.954 768 S CB 1.565 64.802 63.200 0.062 0.000 1.054 768 S HN 0.746 nan 8.310 nan 0.000 0.483 769 T N 1.518 116.229 114.554 0.261 0.000 2.833 769 T HA 0.007 4.359 4.350 0.003 0.000 0.269 769 T C 0.764 175.524 174.700 0.100 0.000 1.054 769 T CA 0.985 63.177 62.100 0.152 0.000 1.135 769 T CB -0.281 68.633 68.868 0.075 0.000 0.869 769 T HN 0.469 nan 8.240 nan 0.000 0.466 770 K N 1.898 122.355 120.400 0.095 0.000 2.276 770 K HA 0.566 4.888 4.320 0.003 0.000 0.285 770 K C 0.005 176.655 176.600 0.085 0.000 1.062 770 K CA -0.525 55.808 56.287 0.077 0.000 0.918 770 K CB 0.630 33.174 32.500 0.074 0.000 1.055 770 K HN 0.356 nan 8.250 nan 0.000 0.477 771 A N 3.735 126.599 122.820 0.073 0.000 2.259 771 A HA 0.206 4.527 4.320 0.003 0.000 0.278 771 A C -0.490 177.138 177.584 0.074 0.000 1.107 771 A CA -0.494 51.590 52.037 0.078 0.000 0.828 771 A CB 0.369 19.407 19.000 0.063 0.000 1.111 771 A HN 0.747 nan 8.150 nan 0.000 0.498 772 D N 0.811 121.262 120.400 0.085 0.000 2.249 772 D HA 0.477 5.119 4.640 0.003 0.000 0.246 772 D C -0.159 176.140 176.300 -0.001 0.000 1.114 772 D CA 0.513 54.545 54.000 0.053 0.000 0.854 772 D CB 1.401 42.266 40.800 0.108 0.000 1.132 772 D HN 0.632 nan 8.370 nan 0.000 0.461 773 T N -0.684 113.821 114.554 -0.081 0.000 2.907 773 T HA 0.674 5.026 4.350 0.003 0.000 0.292 773 T C -0.207 174.354 174.700 -0.232 0.000 1.043 773 T CA -0.900 61.135 62.100 -0.108 0.000 1.003 773 T CB 1.231 70.054 68.868 -0.075 0.000 1.084 773 T HN 0.093 nan 8.240 nan 0.000 0.483 774 L N 2.463 123.482 121.223 -0.340 0.000 2.307 774 L HA 0.480 4.822 4.340 0.003 0.000 0.284 774 L C 0.414 176.950 176.870 -0.556 0.000 1.023 774 L CA -0.908 53.554 54.840 -0.630 0.000 0.810 774 L CB 1.195 42.473 42.059 -1.302 0.000 1.231 774 L HN 0.680 nan 8.230 nan 0.000 0.423 775 N N 2.119 120.578 118.700 -0.402 0.000 2.605 775 N HA 0.007 4.749 4.740 0.003 0.000 0.258 775 N C 0.443 175.829 175.510 -0.207 0.000 1.156 775 N CA 0.030 52.943 53.050 -0.227 0.000 1.008 775 N CB 0.156 38.547 38.487 -0.161 0.000 1.354 775 N HN 0.521 nan 8.380 nan 0.000 0.509 776 W N 1.867 123.123 121.300 -0.074 0.000 2.392 776 W HA 0.057 4.719 4.660 0.003 0.000 0.279 776 W C 2.195 178.669 176.519 -0.076 0.000 1.225 776 W CA 0.605 57.903 57.345 -0.078 0.000 1.233 776 W CB 0.023 29.438 29.460 -0.075 0.000 1.122 776 W HN 0.573 nan 8.180 nan 0.000 0.561 777 G N -0.260 108.624 108.800 0.139 0.000 2.534 777 G HA2 -0.064 3.898 3.960 0.003 0.000 0.217 777 G HA3 -0.064 3.898 3.960 0.003 0.000 0.217 777 G C 1.633 176.542 174.900 0.015 0.000 1.128 777 G CA 0.812 45.955 45.100 0.071 0.000 0.784 777 G HN 0.368 nan 8.290 nan 0.000 0.542 778 G N 0.165 108.941 108.800 -0.039 0.000 2.880 778 G HA2 0.179 4.140 3.960 0.003 0.000 0.209 778 G HA3 0.179 4.140 3.960 0.003 0.000 0.209 778 G C 0.809 175.591 174.900 -0.197 0.000 1.157 778 G CA 0.133 45.175 45.100 -0.097 0.000 0.779 778 G HN 0.312 nan 8.290 nan 0.000 0.539 779 S N 0.954 116.552 115.700 -0.170 0.000 2.593 779 S HA 0.111 4.583 4.470 0.003 0.000 0.300 779 S C 0.073 174.553 174.600 -0.200 0.000 1.267 779 S CA 0.095 58.156 58.200 -0.233 0.000 1.065 779 S CB 1.037 64.226 63.200 -0.019 0.000 0.807 779 S HN 0.382 nan 8.310 nan 0.000 0.499 780 D N 0.833 121.021 120.400 -0.353 0.000 2.588 780 D HA 0.300 4.942 4.640 0.003 0.000 0.268 780 D C 1.290 177.559 176.300 -0.052 0.000 1.176 780 D CA -0.837 53.051 54.000 -0.186 0.000 1.080 780 D CB 0.369 40.922 40.800 -0.411 0.000 1.186 780 D HN 0.689 nan 8.370 nan 0.000 0.619 781 W N 0.863 122.215 121.300 0.087 0.000 2.465 781 W HA -0.120 4.542 4.660 0.003 0.000 0.268 781 W C 0.766 177.489 176.519 0.341 0.000 1.242 781 W CA 0.589 58.064 57.345 0.217 0.000 1.248 781 W CB -0.945 28.682 29.460 0.279 0.000 1.118 781 W HN 0.419 nan 8.180 nan 0.000 0.587 782 Y N -0.865 119.240 120.300 -0.325 0.000 2.481 782 Y HA 0.415 4.966 4.550 0.003 0.000 0.247 782 Y C -0.155 175.810 175.900 0.108 0.000 1.151 782 Y CA -1.051 56.926 58.100 -0.206 0.000 1.238 782 Y CB -0.862 37.180 38.460 -0.698 0.000 1.179 782 Y HN 0.033 nan 8.280 nan 0.000 0.524 783 Y N -2.151 117.880 120.300 -0.448 0.000 2.774 783 Y HA 0.673 5.225 4.550 0.003 0.000 0.346 783 Y C -1.763 173.984 175.900 -0.256 0.000 1.222 783 Y CA -1.462 56.451 58.100 -0.313 0.000 1.088 783 Y CB 0.962 39.314 38.460 -0.180 0.000 1.354 783 Y HN -0.180 nan 8.280 nan 0.000 0.455 784 T N 3.954 118.222 114.554 -0.478 0.000 2.824 784 T HA 0.536 4.887 4.350 0.003 0.000 0.282 784 T C -2.984 171.448 174.700 -0.448 0.000 0.993 784 T CA -1.526 60.255 62.100 -0.532 0.000 0.967 784 T CB 1.755 70.479 68.868 -0.239 0.000 0.960 784 T HN 0.425 nan 8.240 nan 0.000 0.441 785 P HA 0.295 nan 4.420 nan 0.000 0.277 785 P C -0.581 176.622 177.300 -0.162 0.000 1.240 785 P CA -0.710 62.329 63.100 -0.102 0.000 0.798 785 P CB 0.615 32.276 31.700 -0.066 0.000 0.979 786 Q N 0.168 119.887 119.800 -0.135 0.000 2.259 786 Q HA 0.207 4.549 4.340 0.003 0.000 0.249 786 Q C 1.034 176.794 176.000 -0.401 0.000 0.914 786 Q CA -0.191 55.391 55.803 -0.369 0.000 0.904 786 Q CB 1.006 29.352 28.738 -0.653 0.000 1.213 786 Q HN 0.522 nan 8.270 nan 0.000 0.428 787 S N 0.647 116.136 115.700 -0.352 0.000 2.412 787 S HA 0.232 4.704 4.470 0.003 0.000 0.223 787 S C 0.586 175.018 174.600 -0.279 0.000 1.048 787 S CA 0.207 58.260 58.200 -0.246 0.000 0.954 787 S CB 0.373 63.481 63.200 -0.155 0.000 0.840 787 S HN 0.608 nan 8.310 nan 0.000 0.503 788 A N 0.522 123.152 122.820 -0.316 0.000 2.414 788 A HA 0.745 5.066 4.320 0.003 0.000 0.306 788 A C -1.198 176.176 177.584 -0.349 0.000 1.054 788 A CA -0.814 51.065 52.037 -0.263 0.000 0.724 788 A CB 0.777 19.724 19.000 -0.087 0.000 1.267 788 A HN 0.341 nan 8.150 nan 0.000 0.418 789 F N 1.523 121.491 119.950 0.030 0.000 2.404 789 F HA 0.566 5.095 4.527 0.003 0.000 0.339 789 F C 1.102 176.923 175.800 0.034 0.000 1.105 789 F CA -0.046 57.977 58.000 0.038 0.000 1.087 789 F CB 1.656 40.673 39.000 0.029 0.000 1.143 789 F HN 0.736 nan 8.300 nan 0.000 0.491 790 A N 1.607 124.563 122.820 0.226 0.000 2.406 790 A HA 0.236 4.557 4.320 0.003 0.000 0.243 790 A C -0.537 177.099 177.584 0.087 0.000 1.082 790 A CA -0.293 51.825 52.037 0.134 0.000 0.786 790 A CB 0.186 19.258 19.000 0.120 0.000 1.029 790 A HN 0.684 nan 8.150 nan 0.000 0.495 791 D N 1.326 121.755 120.400 0.049 0.000 2.460 791 D HA 0.453 5.095 4.640 0.003 0.000 0.232 791 D C -0.011 176.266 176.300 -0.038 0.000 1.079 791 D CA -0.120 53.887 54.000 0.011 0.000 0.864 791 D CB 0.447 41.270 40.800 0.038 0.000 1.048 791 D HN 0.339 nan 8.370 nan 0.000 0.523 792 L N 2.460 123.599 121.223 -0.139 0.000 2.808 792 L HA 0.087 4.429 4.340 0.003 0.000 0.246 792 L C 2.022 178.799 176.870 -0.155 0.000 1.153 792 L CA -0.066 54.651 54.840 -0.205 0.000 0.956 792 L CB 0.193 41.976 42.059 -0.460 0.000 1.270 792 L HN 0.285 nan 8.230 nan 0.000 0.528 793 S N -0.328 115.331 115.700 -0.069 0.000 2.447 793 S HA -0.113 4.359 4.470 0.003 0.000 0.233 793 S C 2.123 176.742 174.600 0.031 0.000 1.006 793 S CA 0.906 59.112 58.200 0.010 0.000 0.957 793 S CB -0.636 62.580 63.200 0.028 0.000 0.773 793 S HN 0.446 nan 8.310 nan 0.000 0.507 794 G N 2.473 111.277 108.800 0.008 0.000 2.507 794 G HA2 -0.187 3.775 3.960 0.003 0.000 0.221 794 G HA3 -0.187 3.775 3.960 0.003 0.000 0.221 794 G C 1.332 176.243 174.900 0.017 0.000 1.119 794 G CA 1.091 46.200 45.100 0.016 0.000 0.751 794 G HN 0.549 nan 8.290 nan 0.000 0.574 795 L N 0.058 121.265 121.223 -0.027 0.000 2.129 795 L HA -0.181 4.161 4.340 0.003 0.000 0.212 795 L C 2.658 179.718 176.870 0.317 0.000 1.087 795 L CA 1.379 56.200 54.840 -0.032 0.000 0.757 795 L CB -0.535 41.339 42.059 -0.307 0.000 0.896 795 L HN 0.279 nan 8.230 nan 0.000 0.434 796 N N 0.020 118.881 118.700 0.269 0.000 2.205 796 N HA -0.150 4.592 4.740 0.003 0.000 0.186 796 N C 0.700 176.303 175.510 0.156 0.000 1.015 796 N CA 1.075 54.274 53.050 0.248 0.000 0.862 796 N CB 0.013 38.587 38.487 0.145 0.000 0.986 796 N HN 0.326 nan 8.380 nan 0.000 0.429 797 N N 0.464 119.236 118.700 0.119 0.000 2.467 797 N HA 0.094 4.836 4.740 0.003 0.000 0.278 797 N C -1.064 174.486 175.510 0.068 0.000 1.306 797 N CA -0.236 52.857 53.050 0.071 0.000 0.905 797 N CB 0.532 39.047 38.487 0.046 0.000 1.236 797 N HN 0.138 nan 8.380 nan 0.000 0.509 798 L N 1.314 122.604 121.223 0.111 0.000 2.313 798 L HA 0.434 4.776 4.340 0.003 0.000 0.282 798 L C 0.967 177.876 176.870 0.066 0.000 1.092 798 L CA -0.201 54.684 54.840 0.075 0.000 0.831 798 L CB 0.476 42.583 42.059 0.079 0.000 1.159 798 L HN 0.152 nan 8.230 nan 0.000 0.442 799 G N 3.746 112.562 108.800 0.026 0.000 2.667 799 G HA2 0.129 4.091 3.960 0.003 0.000 0.250 799 G HA3 0.129 4.091 3.960 0.003 0.000 0.250 799 G C -0.352 174.550 174.900 0.004 0.000 1.212 799 G CA -0.595 44.511 45.100 0.010 0.000 0.874 799 G HN 0.646 nan 8.290 nan 0.000 0.561 800 Q N -0.625 119.168 119.800 -0.011 0.000 2.392 800 Q HA 0.320 4.662 4.340 0.003 0.000 0.262 800 Q C 0.279 176.264 176.000 -0.025 0.000 1.003 800 Q CA 0.171 55.962 55.803 -0.020 0.000 0.888 800 Q CB 1.476 30.196 28.738 -0.029 0.000 1.260 800 Q HN 0.425 nan 8.270 nan 0.000 0.435 801 S N -0.682 114.999 115.700 -0.031 0.000 2.971 801 S HA 0.915 5.387 4.470 0.003 0.000 0.320 801 S C -1.632 172.943 174.600 -0.041 0.000 1.111 801 S CA -0.035 58.138 58.200 -0.045 0.000 0.870 801 S CB 1.627 64.784 63.200 -0.071 0.000 1.331 801 S HN 0.693 nan 8.310 nan 0.000 0.635 802 A N 0.096 122.888 122.820 -0.046 0.000 2.606 802 A HA 0.772 5.094 4.320 0.003 0.000 0.293 802 A C -1.270 176.288 177.584 -0.043 0.000 1.082 802 A CA -0.334 51.679 52.037 -0.041 0.000 0.685 802 A CB 1.311 20.292 19.000 -0.031 0.000 1.284 802 A HN 1.620 nan 8.150 nan 0.000 0.408 803 V N -0.654 119.235 119.914 -0.042 0.000 2.891 803 V HA 0.848 4.969 4.120 0.003 0.000 0.304 803 V C -0.034 176.040 176.094 -0.033 0.000 1.171 803 V CA 0.810 63.086 62.300 -0.040 0.000 0.943 803 V CB 1.449 33.239 31.823 -0.055 0.000 1.037 803 V HN 2.908 nan 8.190 nan 0.000 0.427 804 G N 3.242 112.027 108.800 -0.024 0.000 2.919 804 G HA2 0.508 4.470 3.960 0.003 0.000 0.225 804 G HA3 0.508 4.470 3.960 0.003 0.000 0.225 804 G C -0.204 174.686 174.900 -0.016 0.000 1.117 804 G CA -0.117 44.972 45.100 -0.018 0.000 1.033 804 G HN 2.494 nan 8.290 nan 0.000 0.532 805 A N 0.059 122.873 122.820 -0.011 0.000 2.488 805 A HA 0.935 5.257 4.320 0.003 0.000 0.295 805 A C -0.226 177.361 177.584 0.005 0.000 1.045 805 A CA 0.064 52.098 52.037 -0.005 0.000 0.703 805 A CB 1.913 20.906 19.000 -0.012 0.000 1.271 805 A HN 1.007 nan 8.150 nan 0.000 0.400 806 T N 1.112 115.674 114.554 0.014 0.000 2.876 806 T HA 0.793 5.145 4.350 0.003 0.000 0.289 806 T C -0.453 174.267 174.700 0.032 0.000 1.014 806 T CA 0.177 62.289 62.100 0.019 0.000 0.986 806 T CB 1.671 70.549 68.868 0.016 0.000 1.021 806 T HN 1.712 nan 8.240 nan 0.000 0.458 807 A N 3.201 126.041 122.820 0.034 0.000 2.427 807 A HA 0.745 5.067 4.320 0.003 0.000 0.298 807 A C -0.759 176.845 177.584 0.034 0.000 1.036 807 A CA -0.797 51.267 52.037 0.045 0.000 0.701 807 A CB 1.188 20.226 19.000 0.063 0.000 1.250 807 A HN 0.839 nan 8.150 nan 0.000 0.412 808 N N 0.465 119.184 118.700 0.031 0.000 2.380 808 N HA 0.757 5.498 4.740 0.003 0.000 0.290 808 N C -1.034 174.487 175.510 0.019 0.000 1.236 808 N CA -0.438 52.625 53.050 0.021 0.000 0.780 808 N CB 1.729 40.223 38.487 0.012 0.000 1.438 808 N HN 0.508 nan 8.380 nan 0.000 0.491 809 S N 0.593 116.298 115.700 0.009 0.000 2.547 809 S HA 0.448 4.920 4.470 0.003 0.000 0.281 809 S C -1.114 173.471 174.600 -0.026 0.000 1.118 809 S CA -0.609 57.590 58.200 -0.003 0.000 0.947 809 S CB 1.836 65.050 63.200 0.023 0.000 1.053 809 S HN 0.310 nan 8.310 nan 0.000 0.482 810 V N 1.920 121.801 119.914 -0.054 0.000 2.513 810 V HA 0.822 4.944 4.120 0.003 0.000 0.299 810 V C -0.058 175.978 176.094 -0.096 0.000 1.035 810 V CA -0.768 61.494 62.300 -0.062 0.000 0.889 810 V CB 1.554 33.343 31.823 -0.056 0.000 0.988 810 V HN 1.002 nan 8.190 nan 0.000 0.440 811 A N 3.352 126.124 122.820 -0.082 0.000 2.267 811 A HA 0.788 5.109 4.320 0.003 0.000 0.315 811 A C 0.436 177.971 177.584 -0.082 0.000 1.297 811 A CA -0.099 51.879 52.037 -0.099 0.000 0.865 811 A CB 0.638 19.591 19.000 -0.077 0.000 1.165 811 A HN 1.054 nan 8.150 nan 0.000 0.513 812 G N 0.461 109.203 108.800 -0.097 0.000 2.507 812 G HA2 0.482 4.444 3.960 0.003 0.000 0.271 812 G HA3 0.482 4.444 3.960 0.003 0.000 0.271 812 G C 0.913 175.775 174.900 -0.063 0.000 1.189 812 G CA 0.120 45.175 45.100 -0.075 0.000 0.859 812 G HN 1.324 nan 8.290 nan 0.000 0.542 813 A N 0.209 123.000 122.820 -0.048 0.000 2.235 813 A HA 0.081 4.403 4.320 0.003 0.000 0.208 813 A C 1.697 179.258 177.584 -0.039 0.000 1.172 813 A CA 1.505 53.519 52.037 -0.039 0.000 0.786 813 A CB -0.144 18.838 19.000 -0.029 0.000 0.804 813 A HN 0.637 nan 8.150 nan 0.000 0.479 814 D N -2.501 117.871 120.400 -0.047 0.000 2.349 814 D HA 0.263 4.905 4.640 0.003 0.000 0.215 814 D C 1.178 177.446 176.300 -0.052 0.000 1.016 814 D CA 0.954 54.927 54.000 -0.045 0.000 0.870 814 D CB -0.279 40.492 40.800 -0.047 0.000 0.917 814 D HN 0.616 nan 8.370 nan 0.000 0.524 815 G N -0.256 108.507 108.800 -0.063 0.000 2.201 815 G HA2 -0.212 3.750 3.960 0.003 0.000 0.212 815 G HA3 -0.212 3.750 3.960 0.003 0.000 0.212 815 G C 0.415 175.255 174.900 -0.100 0.000 0.994 815 G CA 0.214 45.274 45.100 -0.066 0.000 0.644 815 G HN 0.780 nan 8.290 nan 0.000 0.508 816 T N -0.702 113.776 114.554 -0.128 0.000 2.907 816 T HA 0.677 5.029 4.350 0.003 0.000 0.284 816 T C -0.072 174.462 174.700 -0.277 0.000 1.004 816 T CA 0.273 62.251 62.100 -0.203 0.000 1.063 816 T CB 2.386 71.147 68.868 -0.177 0.000 0.992 816 T HN 0.243 nan 8.240 nan 0.000 0.483 817 T N 2.335 116.590 114.554 -0.497 0.000 2.859 817 T HA 0.582 4.933 4.350 0.003 0.000 0.281 817 T C -0.336 173.977 174.700 -0.645 0.000 1.005 817 T CA -0.563 61.197 62.100 -0.567 0.000 1.025 817 T CB 1.439 69.908 68.868 -0.666 0.000 0.977 817 T HN 0.775 nan 8.240 nan 0.000 0.458 818 T N 2.759 117.104 114.554 -0.349 0.000 2.809 818 T HA 0.467 4.819 4.350 0.003 0.000 0.284 818 T C -0.235 174.394 174.700 -0.119 0.000 0.992 818 T CA -0.509 61.454 62.100 -0.228 0.000 0.957 818 T CB 1.183 69.961 68.868 -0.150 0.000 0.942 818 T HN 0.468 nan 8.240 nan 0.000 0.439 819 T N 3.313 117.832 114.554 -0.058 0.000 2.758 819 T HA 0.429 4.780 4.350 0.003 0.000 0.285 819 T C 0.036 174.724 174.700 -0.020 0.000 0.981 819 T CA -0.386 61.713 62.100 -0.001 0.000 0.965 819 T CB 0.863 69.775 68.868 0.074 0.000 0.927 819 T HN 0.456 nan 8.240 nan 0.000 0.448 820 T N 3.373 117.939 114.554 0.019 0.000 2.753 820 T HA 0.467 4.818 4.350 0.003 0.000 0.297 820 T C -0.474 174.274 174.700 0.080 0.000 0.981 820 T CA -0.401 61.727 62.100 0.047 0.000 0.956 820 T CB 0.932 69.815 68.868 0.026 0.000 0.936 820 T HN 0.394 nan 8.240 nan 0.000 0.463 821 V N 4.795 124.790 119.914 0.135 0.000 2.448 821 V HA 0.610 4.731 4.120 0.003 0.000 0.295 821 V C -0.349 175.797 176.094 0.088 0.000 1.025 821 V CA -0.248 62.128 62.300 0.128 0.000 0.859 821 V CB 1.816 33.757 31.823 0.197 0.000 0.988 821 V HN 0.910 nan 8.190 nan 0.000 0.431 822 T N 8.559 123.144 114.554 0.052 0.000 2.779 822 T HA 0.652 5.004 4.350 0.003 0.000 0.280 822 T C -0.563 174.146 174.700 0.015 0.000 0.987 822 T CA -0.196 61.923 62.100 0.032 0.000 0.966 822 T CB 0.950 69.834 68.868 0.026 0.000 0.933 822 T HN 0.543 nan 8.240 nan 0.000 0.442 823 L N 2.991 124.215 121.223 0.003 0.000 2.365 823 L HA 0.672 5.013 4.340 0.003 0.000 0.273 823 L C -0.088 176.778 176.870 -0.007 0.000 1.000 823 L CA -0.888 53.944 54.840 -0.014 0.000 0.819 823 L CB 1.954 43.989 42.059 -0.042 0.000 1.284 823 L HN 0.393 nan 8.230 nan 0.000 0.418 824 K N 1.637 122.032 120.400 -0.008 0.000 2.371 824 K HA 0.327 4.649 4.320 0.003 0.000 0.251 824 K C -0.788 175.806 176.600 -0.010 0.000 0.934 824 K CA -0.813 55.473 56.287 -0.001 0.000 0.798 824 K CB 1.601 34.104 32.500 0.005 0.000 1.204 824 K HN 0.484 nan 8.250 nan 0.000 0.427 825 N N 2.167 120.865 118.700 -0.004 0.000 2.399 825 N HA -0.012 4.730 4.740 0.003 0.000 0.259 825 N C 0.153 175.659 175.510 -0.006 0.000 1.160 825 N CA 0.241 53.281 53.050 -0.016 0.000 0.946 825 N CB 1.021 39.499 38.487 -0.016 0.000 1.156 825 N HN 0.691 nan 8.380 nan 0.000 0.489 826 T N -0.920 113.626 114.554 -0.013 0.000 3.107 826 T HA 0.034 4.386 4.350 0.003 0.000 0.249 826 T C 0.976 175.672 174.700 -0.006 0.000 1.096 826 T CA -0.326 61.770 62.100 -0.007 0.000 1.012 826 T CB -0.290 68.572 68.868 -0.009 0.000 0.977 826 T HN 0.425 nan 8.240 nan 0.000 0.527 827 S N 0.584 116.276 115.700 -0.012 0.000 2.593 827 S HA 0.488 4.960 4.470 0.003 0.000 0.269 827 S C 1.603 176.204 174.600 0.001 0.000 1.334 827 S CA -0.226 57.968 58.200 -0.010 0.000 1.015 827 S CB 1.090 64.277 63.200 -0.022 0.000 0.912 827 S HN 0.314 nan 8.310 nan 0.000 0.541 828 G N 1.134 109.936 108.800 0.004 0.000 2.551 828 G HA2 0.352 4.314 3.960 0.003 0.000 0.216 828 G HA3 0.352 4.314 3.960 0.003 0.000 0.216 828 G C 0.725 175.637 174.900 0.019 0.000 1.137 828 G CA 0.144 45.252 45.100 0.012 0.000 0.798 828 G HN 0.996 nan 8.290 nan 0.000 0.536 829 G N -0.153 108.655 108.800 0.014 0.000 2.468 829 G HA2 0.308 4.270 3.960 0.003 0.000 0.264 829 G HA3 0.308 4.270 3.960 0.003 0.000 0.264 829 G C 0.757 175.681 174.900 0.040 0.000 1.460 829 G CA -0.560 44.553 45.100 0.022 0.000 1.060 829 G HN 0.259 nan 8.290 nan 0.000 0.543 830 R N -1.378 119.152 120.500 0.050 0.000 2.397 830 R HA 0.256 4.597 4.340 0.003 0.000 0.241 830 R C 0.260 176.590 176.300 0.049 0.000 0.914 830 R CA -0.284 55.873 56.100 0.094 0.000 1.071 830 R CB 0.106 30.485 30.300 0.130 0.000 1.116 830 R HN 0.203 nan 8.270 nan 0.000 0.524 831 L N 4.163 125.371 121.223 -0.025 0.000 2.410 831 L HA 0.176 4.518 4.340 0.003 0.000 0.273 831 L C -1.969 174.733 176.870 -0.281 0.000 1.144 831 L CA -1.804 52.963 54.840 -0.123 0.000 0.863 831 L CB 0.301 42.311 42.059 -0.081 0.000 1.140 831 L HN -0.201 nan 8.230 nan 0.000 0.463 832 P HA 0.090 nan 4.420 nan 0.000 0.275 832 P C -0.872 176.147 177.300 -0.469 0.000 1.228 832 P CA -0.499 62.041 63.100 -0.934 0.000 0.786 832 P CB 1.026 31.541 31.700 -1.977 0.000 0.927 833 A N 3.737 126.352 122.820 -0.341 0.000 2.350 833 A HA 0.368 4.690 4.320 0.003 0.000 0.293 833 A C -0.611 176.895 177.584 -0.129 0.000 1.231 833 A CA -0.280 51.657 52.037 -0.166 0.000 0.883 833 A CB -0.938 17.989 19.000 -0.122 0.000 1.133 833 A HN 0.492 nan 8.150 nan 0.000 0.533 834 F N 2.969 122.793 119.950 -0.210 0.000 2.421 834 F HA 0.452 4.981 4.527 0.003 0.000 0.337 834 F C 0.157 175.922 175.800 -0.057 0.000 1.105 834 F CA -1.102 56.781 58.000 -0.196 0.000 1.049 834 F CB 0.580 39.438 39.000 -0.237 0.000 1.139 834 F HN 0.672 nan 8.300 nan 0.000 0.479 835 Y N 4.000 123.630 120.300 -1.116 0.000 2.980 835 Y HA -0.174 4.378 4.550 0.003 0.000 0.199 835 Y C -1.207 174.394 175.900 -0.498 0.000 1.319 835 Y CA 0.326 57.828 58.100 -0.998 0.000 0.877 835 Y CB -1.100 36.472 38.460 -1.480 0.000 1.259 835 Y HN 0.350 nan 8.280 nan 0.000 0.437 836 V N 4.069 123.677 119.914 -0.510 0.000 2.432 836 V HA 0.214 4.336 4.120 0.003 0.000 0.275 836 V C 0.192 175.969 176.094 -0.529 0.000 1.043 836 V CA -0.276 61.793 62.300 -0.384 0.000 0.925 836 V CB 1.545 33.208 31.823 -0.266 0.000 0.985 836 V HN 0.452 nan 8.190 nan 0.000 0.466 837 D N 3.327 123.471 120.400 -0.426 0.000 2.425 837 D HA 0.370 5.012 4.640 0.003 0.000 0.240 837 D C -0.544 175.550 176.300 -0.343 0.000 1.080 837 D CA -0.117 53.617 54.000 -0.443 0.000 0.836 837 D CB 1.799 42.454 40.800 -0.243 0.000 1.125 837 D HN 0.469 nan 8.370 nan 0.000 0.525 838 S N 3.525 118.925 115.700 -0.500 0.000 2.462 838 S HA 0.501 4.973 4.470 0.003 0.000 0.294 838 S C -0.392 174.046 174.600 -0.269 0.000 1.144 838 S CA -0.838 57.117 58.200 -0.407 0.000 1.088 838 S CB 1.243 64.098 63.200 -0.576 0.000 1.009 838 S HN 0.229 nan 8.310 nan 0.000 0.484 839 K N 2.201 122.617 120.400 0.027 0.000 2.463 839 K HA 0.364 4.686 4.320 0.003 0.000 0.255 839 K C -0.998 175.722 176.600 0.201 0.000 0.942 839 K CA -0.692 55.702 56.287 0.177 0.000 0.814 839 K CB 1.717 34.259 32.500 0.071 0.000 1.122 839 K HN 0.363 nan 8.250 nan 0.000 0.425 840 V N 3.539 123.586 119.914 0.222 0.000 2.446 840 V HA 0.104 4.226 4.120 0.003 0.000 0.276 840 V C 0.537 176.570 176.094 -0.102 0.000 1.030 840 V CA -0.473 61.797 62.300 -0.049 0.000 1.033 840 V CB 0.423 31.996 31.823 -0.417 0.000 0.993 840 V HN 0.538 nan 8.190 nan 0.000 0.477 841 V N 1.990 121.859 119.914 -0.074 0.000 2.960 841 V HA 0.795 4.917 4.120 0.003 0.000 0.315 841 V C -0.260 175.794 176.094 -0.067 0.000 1.087 841 V CA -1.048 61.212 62.300 -0.066 0.000 0.982 841 V CB 2.098 33.901 31.823 -0.033 0.000 1.039 841 V HN 0.749 nan 8.190 nan 0.000 0.437 842 D N 1.467 121.833 120.400 -0.056 0.000 2.440 842 D HA 0.171 4.813 4.640 0.003 0.000 0.269 842 D C 1.420 177.704 176.300 -0.027 0.000 1.249 842 D CA 0.238 54.215 54.000 -0.038 0.000 1.055 842 D CB 0.466 41.245 40.800 -0.035 0.000 1.104 842 D HN 0.888 nan 8.370 nan 0.000 0.561 843 S N -2.050 113.639 115.700 -0.019 0.000 2.547 843 S HA 0.045 4.516 4.470 0.003 0.000 0.235 843 S C 1.276 175.864 174.600 -0.019 0.000 0.980 843 S CA 0.387 58.577 58.200 -0.016 0.000 0.941 843 S CB -0.590 62.602 63.200 -0.012 0.000 0.763 843 S HN 0.690 nan 8.310 nan 0.000 0.532 844 A N -0.179 122.627 122.820 -0.024 0.000 2.564 844 A HA 0.693 5.014 4.320 0.003 0.000 0.279 844 A C 1.428 178.995 177.584 -0.029 0.000 1.232 844 A CA 0.096 52.117 52.037 -0.026 0.000 0.950 844 A CB -0.664 18.319 19.000 -0.028 0.000 1.138 844 A HN 1.365 nan 8.150 nan 0.000 0.526 845 G N 0.085 108.868 108.800 -0.028 0.000 2.189 845 G HA2 -0.325 3.637 3.960 0.003 0.000 0.267 845 G HA3 -0.325 3.637 3.960 0.003 0.000 0.267 845 G C 0.352 175.232 174.900 -0.033 0.000 0.975 845 G CA 0.829 45.912 45.100 -0.028 0.000 0.644 845 G HN 0.698 nan 8.290 nan 0.000 0.537 846 K N 1.652 122.028 120.400 -0.040 0.000 2.383 846 K HA 0.473 4.794 4.320 0.003 0.000 0.286 846 K C -2.172 174.397 176.600 -0.052 0.000 1.051 846 K CA -1.733 54.524 56.287 -0.049 0.000 0.974 846 K CB 0.639 33.105 32.500 -0.056 0.000 0.968 846 K HN 0.074 nan 8.250 nan 0.000 0.475 847 P HA -0.037 nan 4.420 nan 0.000 0.267 847 P C -1.018 176.244 177.300 -0.064 0.000 1.205 847 P CA -0.304 62.770 63.100 -0.043 0.000 0.765 847 P CB 0.730 32.420 31.700 -0.017 0.000 0.828 848 V N 5.752 125.601 119.914 -0.108 0.000 2.432 848 V HA 0.248 4.369 4.120 0.003 0.000 0.271 848 V C 0.428 176.461 176.094 -0.103 0.000 1.046 848 V CA 0.211 62.426 62.300 -0.142 0.000 0.945 848 V CB -0.157 31.483 31.823 -0.305 0.000 0.992 848 V HN 0.355 nan 8.190 nan 0.000 0.471 849 L N 7.082 128.282 121.223 -0.039 0.000 2.409 849 L HA 0.605 4.947 4.340 0.003 0.000 0.262 849 L C -2.431 174.445 176.870 0.010 0.000 0.992 849 L CA -1.762 53.083 54.840 0.009 0.000 0.817 849 L CB 2.869 44.951 42.059 0.039 0.000 1.350 849 L HN 0.414 nan 8.230 nan 0.000 0.411 850 P HA 0.338 nan 4.420 nan 0.000 0.276 850 P C -1.164 176.205 177.300 0.114 0.000 1.252 850 P CA -0.379 62.742 63.100 0.035 0.000 0.802 850 P CB 2.410 34.021 31.700 -0.149 0.000 1.035 851 V N 0.152 120.191 119.914 0.209 0.000 3.114 851 V HA 0.432 4.554 4.120 0.003 0.000 0.308 851 V C -1.382 174.763 176.094 0.084 0.000 1.168 851 V CA -0.629 61.726 62.300 0.092 0.000 1.015 851 V CB 2.375 34.178 31.823 -0.033 0.000 1.050 851 V HN 0.594 nan 8.190 nan 0.000 0.433 852 E N 3.924 124.107 120.200 -0.028 0.000 2.302 852 E HA 0.314 4.666 4.350 0.003 0.000 0.263 852 E C -1.915 174.648 176.600 -0.062 0.000 0.897 852 E CA -0.281 56.122 56.400 0.005 0.000 0.809 852 E CB 1.610 31.343 29.700 0.055 0.000 1.270 852 E HN 0.609 nan 8.360 nan 0.000 0.410 853 W N 2.245 123.566 121.300 0.036 0.000 2.415 853 W HA 0.216 4.878 4.660 0.003 0.000 0.355 853 W C 1.681 178.215 176.519 0.026 0.000 1.161 853 W CA -0.530 56.834 57.345 0.033 0.000 1.315 853 W CB 0.567 30.042 29.460 0.024 0.000 1.261 853 W HN 0.472 nan 8.180 nan 0.000 0.636 854 N N 0.536 119.406 118.700 0.283 0.000 2.422 854 N HA -0.028 4.714 4.740 0.003 0.000 0.181 854 N C -0.592 174.998 175.510 0.133 0.000 1.080 854 N CA 0.703 53.847 53.050 0.158 0.000 0.893 854 N CB 0.366 38.920 38.487 0.112 0.000 0.973 854 N HN 0.533 nan 8.380 nan 0.000 0.456 855 D N -1.623 118.869 120.400 0.153 0.000 2.951 855 D HA 0.318 4.960 4.640 0.003 0.000 0.262 855 D C -1.865 174.365 176.300 -0.116 0.000 1.110 855 D CA -0.533 53.485 54.000 0.030 0.000 0.724 855 D CB 0.598 41.410 40.800 0.019 0.000 1.516 855 D HN -0.014 nan 8.370 nan 0.000 0.447 856 N N 0.348 118.851 118.700 -0.328 0.000 3.378 856 N HA 0.584 5.326 4.740 0.003 0.000 0.294 856 N C -1.130 173.931 175.510 -0.749 0.000 1.544 856 N CA 0.346 52.969 53.050 -0.712 0.000 0.872 856 N CB 1.186 39.006 38.487 -1.111 0.000 1.670 856 N HN 1.151 nan 8.380 nan 0.000 0.551 857 A N 0.049 122.257 122.820 -1.020 0.000 2.511 857 A HA -0.134 4.188 4.320 0.003 0.000 0.297 857 A C 0.509 177.721 177.584 -0.621 0.000 1.476 857 A CA 1.097 52.532 52.037 -1.004 0.000 0.757 857 A CB -2.539 15.815 19.000 -1.076 0.000 1.072 857 A HN 1.078 nan 8.150 nan 0.000 0.413 858 V N -2.415 117.221 119.914 -0.463 0.000 3.083 858 V HA 0.834 4.955 4.120 0.003 0.000 0.306 858 V C 0.469 176.441 176.094 -0.203 0.000 1.077 858 V CA 0.073 62.224 62.300 -0.248 0.000 1.073 858 V CB 1.847 33.562 31.823 -0.181 0.000 1.081 858 V HN 1.075 nan 8.190 nan 0.000 0.474 859 S N 3.744 119.417 115.700 -0.045 0.000 2.647 859 S HA 0.750 5.222 4.470 0.003 0.000 0.300 859 S C -0.769 173.907 174.600 0.126 0.000 1.129 859 S CA -0.473 57.735 58.200 0.012 0.000 1.029 859 S CB 1.011 64.301 63.200 0.150 0.000 1.007 859 S HN 0.712 nan 8.310 nan 0.000 0.484 860 L N 2.554 123.782 121.223 0.009 0.000 2.381 860 L HA 0.546 4.887 4.340 0.003 0.000 0.274 860 L C -0.353 176.537 176.870 0.033 0.000 0.988 860 L CA -0.564 54.347 54.840 0.118 0.000 0.824 860 L CB 1.180 43.264 42.059 0.042 0.000 1.263 860 L HN 0.557 nan 8.230 nan 0.000 0.410 861 W N 2.472 123.741 121.300 -0.051 0.000 2.129 861 W HA 0.252 4.914 4.660 0.003 0.000 0.349 861 W C -2.040 174.461 176.519 -0.030 0.000 1.279 861 W CA -1.462 55.839 57.345 -0.073 0.000 1.306 861 W CB 0.917 30.308 29.460 -0.114 0.000 1.140 861 W HN 0.140 nan 8.180 nan 0.000 0.613 862 P HA 0.030 nan 4.420 nan 0.000 0.264 862 P C 0.603 177.959 177.300 0.094 0.000 1.193 862 P CA 1.826 64.972 63.100 0.078 0.000 0.763 862 P CB 0.321 32.062 31.700 0.068 0.000 0.810 863 G N 2.036 110.872 108.800 0.061 0.000 2.336 863 G HA2 -0.258 3.703 3.960 0.003 0.000 0.233 863 G HA3 -0.258 3.703 3.960 0.003 0.000 0.233 863 G C 0.228 175.164 174.900 0.060 0.000 1.053 863 G CA -0.227 44.907 45.100 0.056 0.000 0.625 863 G HN 0.552 nan 8.290 nan 0.000 0.511 864 E N 0.940 121.191 120.200 0.085 0.000 2.418 864 E HA 0.474 4.826 4.350 0.003 0.000 0.261 864 E C -0.211 176.423 176.600 0.057 0.000 1.070 864 E CA 0.857 57.307 56.400 0.084 0.000 0.931 864 E CB 0.587 30.367 29.700 0.133 0.000 0.954 864 E HN 0.167 nan 8.360 nan 0.000 0.439 865 T N 0.990 115.573 114.554 0.048 0.000 2.912 865 T HA 0.367 4.719 4.350 0.003 0.000 0.299 865 T C -1.031 173.686 174.700 0.029 0.000 1.052 865 T CA -0.509 61.610 62.100 0.031 0.000 0.996 865 T CB 1.868 70.752 68.868 0.026 0.000 1.070 865 T HN 0.366 nan 8.240 nan 0.000 0.465 866 T N 1.506 116.070 114.554 0.017 0.000 2.912 866 T HA 0.590 4.942 4.350 0.003 0.000 0.299 866 T C -1.071 173.641 174.700 0.020 0.000 1.052 866 T CA -0.364 61.747 62.100 0.017 0.000 0.996 866 T CB 1.402 70.274 68.868 0.008 0.000 1.070 866 T HN 0.486 nan 8.240 nan 0.000 0.465 867 T N 5.415 119.988 114.554 0.032 0.000 2.770 867 T HA 0.534 4.886 4.350 0.003 0.000 0.297 867 T C -0.269 174.476 174.700 0.074 0.000 0.997 867 T CA -0.425 61.703 62.100 0.048 0.000 0.949 867 T CB 0.061 68.954 68.868 0.041 0.000 0.941 867 T HN 0.409 nan 8.240 nan 0.000 0.457 868 L N 3.060 124.353 121.223 0.116 0.000 2.322 868 L HA 0.570 4.911 4.340 0.003 0.000 0.279 868 L C 0.389 177.419 176.870 0.265 0.000 1.036 868 L CA -0.806 54.164 54.840 0.217 0.000 0.807 868 L CB 1.441 43.651 42.059 0.250 0.000 1.226 868 L HN 0.489 nan 8.230 nan 0.000 0.433 869 T N 1.941 116.640 114.554 0.242 0.000 2.786 869 T HA 0.628 4.979 4.350 0.003 0.000 0.283 869 T C -0.269 174.384 174.700 -0.078 0.000 0.992 869 T CA -0.490 61.655 62.100 0.075 0.000 0.954 869 T CB 1.611 70.499 68.868 0.033 0.000 0.934 869 T HN 0.661 nan 8.240 nan 0.000 0.440 870 A N 3.582 126.140 122.820 -0.436 0.000 2.318 870 A HA 0.776 5.098 4.320 0.003 0.000 0.324 870 A C -0.240 177.154 177.584 -0.317 0.000 1.170 870 A CA -0.798 50.738 52.037 -0.836 0.000 0.810 870 A CB 1.011 18.879 19.000 -1.887 0.000 1.198 870 A HN 0.720 nan 8.150 nan 0.000 0.484 871 K N 1.816 122.091 120.400 -0.208 0.000 2.324 871 K HA 0.708 5.030 4.320 0.003 0.000 0.253 871 K C -1.495 175.122 176.600 0.027 0.000 0.932 871 K CA -0.538 55.675 56.287 -0.124 0.000 0.799 871 K CB 1.254 33.680 32.500 -0.123 0.000 1.154 871 K HN 0.834 nan 8.250 nan 0.000 0.425 872 Y N -1.017 119.198 120.300 -0.142 0.000 2.750 872 Y HA 0.454 5.006 4.550 0.003 0.000 0.335 872 Y C -1.178 174.675 175.900 -0.077 0.000 1.252 872 Y CA -1.549 56.490 58.100 -0.102 0.000 1.064 872 Y CB 0.751 39.143 38.460 -0.112 0.000 1.321 872 Y HN 0.308 nan 8.280 nan 0.000 0.451 873 R N 0.617 121.150 120.500 0.054 0.000 2.340 873 R HA 0.266 4.607 4.340 0.003 0.000 0.300 873 R C 0.363 176.664 176.300 0.003 0.000 1.069 873 R CA 0.252 56.336 56.100 -0.026 0.000 0.984 873 R CB 1.201 31.505 30.300 0.006 0.000 1.003 873 R HN 0.918 nan 8.270 nan 0.000 0.459 874 T N 1.985 116.483 114.554 -0.092 0.000 2.737 874 T HA -0.236 4.116 4.350 0.003 0.000 0.269 874 T C 1.845 176.562 174.700 0.028 0.000 1.040 874 T CA 1.820 63.894 62.100 -0.044 0.000 1.142 874 T CB -0.019 68.805 68.868 -0.073 0.000 0.861 874 T HN 0.752 nan 8.240 nan 0.000 0.456 875 A N 1.693 124.521 122.820 0.015 0.000 2.015 875 A HA -0.102 4.220 4.320 0.003 0.000 0.219 875 A C 1.901 179.506 177.584 0.034 0.000 1.163 875 A CA 1.269 53.317 52.037 0.018 0.000 0.646 875 A CB -0.358 18.645 19.000 0.005 0.000 0.806 875 A HN 0.325 nan 8.150 nan 0.000 0.448 876 D N -0.454 119.983 120.400 0.061 0.000 2.363 876 D HA 0.003 4.644 4.640 0.003 0.000 0.226 876 D C 1.129 177.457 176.300 0.047 0.000 1.020 876 D CA 0.242 54.273 54.000 0.053 0.000 0.892 876 D CB 0.172 41.009 40.800 0.062 0.000 0.900 876 D HN 0.227 nan 8.370 nan 0.000 0.531 877 L N 0.621 121.888 121.223 0.074 0.000 2.395 877 L HA 0.029 4.371 4.340 0.003 0.000 0.218 877 L C 0.688 177.570 176.870 0.020 0.000 1.130 877 L CA 0.588 55.459 54.840 0.051 0.000 0.826 877 L CB -0.529 41.584 42.059 0.090 0.000 0.941 877 L HN -0.041 nan 8.230 nan 0.000 0.451 878 K N 0.313 120.724 120.400 0.018 0.000 3.490 878 K HA -0.271 4.051 4.320 0.003 0.000 0.273 878 K C 1.192 177.795 176.600 0.005 0.000 0.916 878 K CA 0.329 56.620 56.287 0.006 0.000 0.718 878 K CB -1.947 30.551 32.500 -0.003 0.000 1.477 878 K HN 0.526 nan 8.250 nan 0.000 0.452 879 G N -0.626 108.180 108.800 0.010 0.000 2.245 879 G HA2 -0.404 3.558 3.960 0.003 0.000 0.264 879 G HA3 -0.404 3.558 3.960 0.003 0.000 0.264 879 G C 0.257 175.162 174.900 0.007 0.000 0.985 879 G CA 0.580 45.684 45.100 0.007 0.000 0.625 879 G HN 0.656 nan 8.290 nan 0.000 0.536 880 S N 0.427 116.132 115.700 0.008 0.000 2.584 880 S HA 0.489 4.960 4.470 0.003 0.000 0.270 880 S C 0.792 175.400 174.600 0.015 0.000 1.346 880 S CA 0.074 58.277 58.200 0.005 0.000 1.018 880 S CB 0.441 63.639 63.200 -0.003 0.000 0.899 880 S HN 0.410 nan 8.310 nan 0.000 0.542 881 K N 3.081 123.488 120.400 0.011 0.000 2.237 881 K HA 0.321 4.643 4.320 0.003 0.000 0.270 881 K C -2.323 174.289 176.600 0.020 0.000 1.015 881 K CA -1.622 54.675 56.287 0.018 0.000 0.949 881 K CB 0.340 32.846 32.500 0.011 0.000 0.976 881 K HN 0.534 nan 8.250 nan 0.000 0.472 882 P HA 0.146 nan 4.420 nan 0.000 0.279 882 P C -0.853 176.458 177.300 0.018 0.000 1.239 882 P CA -0.296 62.824 63.100 0.034 0.000 0.789 882 P CB 1.369 33.132 31.700 0.105 0.000 0.933 883 S N 0.487 116.187 115.700 -0.001 0.000 2.697 883 S HA 0.628 5.099 4.470 0.003 0.000 0.289 883 S C -0.867 173.743 174.600 0.017 0.000 1.149 883 S CA -0.599 57.606 58.200 0.009 0.000 0.850 883 S CB 1.519 64.719 63.200 0.001 0.000 1.151 883 S HN 0.244 nan 8.310 nan 0.000 0.491 884 V N 1.695 121.629 119.914 0.034 0.000 2.525 884 V HA 0.528 4.650 4.120 0.003 0.000 0.299 884 V C -0.323 175.788 176.094 0.028 0.000 1.034 884 V CA -0.707 61.630 62.300 0.061 0.000 0.863 884 V CB 1.480 33.369 31.823 0.110 0.000 0.999 884 V HN 0.742 nan 8.190 nan 0.000 0.423 885 R N 4.267 124.780 120.500 0.020 0.000 2.207 885 R HA 0.643 4.984 4.340 0.003 0.000 0.334 885 R C -1.179 175.101 176.300 -0.032 0.000 1.013 885 R CA -0.440 55.655 56.100 -0.009 0.000 0.858 885 R CB 0.680 30.973 30.300 -0.011 0.000 1.094 885 R HN 0.714 nan 8.270 nan 0.000 0.457 886 I N 2.814 123.355 120.570 -0.048 0.000 2.330 886 I HA 0.201 4.373 4.170 0.003 0.000 0.289 886 I C -0.372 175.696 176.117 -0.082 0.000 1.001 886 I CA -0.087 61.164 61.300 -0.082 0.000 1.193 886 I CB 2.041 39.994 38.000 -0.077 0.000 1.345 886 I HN 0.469 nan 8.210 nan 0.000 0.461 887 S N 3.836 119.477 115.700 -0.098 0.000 2.552 887 S HA 0.753 5.225 4.470 0.003 0.000 0.314 887 S C 0.023 174.570 174.600 -0.090 0.000 1.099 887 S CA -0.677 57.475 58.200 -0.079 0.000 1.070 887 S CB 1.719 64.886 63.200 -0.054 0.000 0.998 887 S HN 0.771 nan 8.310 nan 0.000 0.474 888 G N 1.118 109.876 108.800 -0.069 0.000 2.511 888 G HA2 0.433 4.395 3.960 0.003 0.000 0.318 888 G HA3 0.433 4.395 3.960 0.003 0.000 0.318 888 G C 0.353 175.274 174.900 0.036 0.000 1.210 888 G CA -0.777 44.301 45.100 -0.036 0.000 0.969 888 G HN 0.739 nan 8.290 nan 0.000 0.484 889 W N 1.364 122.610 121.300 -0.089 0.000 2.333 889 W HA -0.124 4.538 4.660 0.003 0.000 0.316 889 W C 0.718 177.221 176.519 -0.025 0.000 1.215 889 W CA 1.841 59.158 57.345 -0.046 0.000 1.278 889 W CB 0.246 29.717 29.460 0.019 0.000 1.154 889 W HN 0.612 nan 8.180 nan 0.000 0.486 890 N N -0.271 118.548 118.700 0.198 0.000 2.480 890 N HA 0.020 4.762 4.740 0.003 0.000 0.281 890 N C 0.114 175.626 175.510 0.003 0.000 1.381 890 N CA 0.748 53.840 53.050 0.070 0.000 0.903 890 N CB -0.405 38.182 38.487 0.167 0.000 1.274 890 N HN 0.055 nan 8.380 nan 0.000 0.505 891 T N -5.082 109.455 114.554 -0.028 0.000 3.130 891 T HA 0.433 4.785 4.350 0.003 0.000 0.288 891 T C 0.859 175.522 174.700 -0.061 0.000 0.936 891 T CA 0.301 62.374 62.100 -0.045 0.000 0.897 891 T CB 0.070 68.909 68.868 -0.049 0.000 1.178 891 T HN 0.439 nan 8.240 nan 0.000 0.543 892 G N 1.496 110.249 108.800 -0.078 0.000 2.641 892 G HA2 -0.119 3.843 3.960 0.003 0.000 0.254 892 G HA3 -0.119 3.843 3.960 0.003 0.000 0.254 892 G C -0.428 174.428 174.900 -0.074 0.000 1.315 892 G CA -0.121 44.929 45.100 -0.084 0.000 0.907 892 G HN 0.890 nan 8.290 nan 0.000 0.572 893 T N 1.455 115.969 114.554 -0.067 0.000 2.840 893 T HA 0.627 4.979 4.350 0.003 0.000 0.287 893 T C 0.055 174.727 174.700 -0.048 0.000 0.991 893 T CA 0.149 62.214 62.100 -0.058 0.000 0.964 893 T CB 1.546 70.380 68.868 -0.057 0.000 0.954 893 T HN 0.916 nan 8.240 nan 0.000 0.438 894 Q N 0.716 120.490 119.800 -0.044 0.000 2.423 894 Q HA 0.776 5.118 4.340 0.003 0.000 0.278 894 Q C -1.173 174.809 176.000 -0.029 0.000 1.097 894 Q CA -1.069 54.714 55.803 -0.034 0.000 0.809 894 Q CB 2.241 30.960 28.738 -0.032 0.000 1.391 894 Q HN 0.564 nan 8.270 nan 0.000 0.428 895 T N -0.702 113.840 114.554 -0.021 0.000 2.841 895 T HA 0.569 4.921 4.350 0.003 0.000 0.285 895 T C -0.390 174.306 174.700 -0.007 0.000 0.991 895 T CA -0.422 61.670 62.100 -0.013 0.000 0.966 895 T CB 1.189 70.049 68.868 -0.013 0.000 0.962 895 T HN 0.799 nan 8.240 nan 0.000 0.438 896 V N 2.400 122.314 119.914 0.001 0.000 2.547 896 V HA 0.860 4.981 4.120 0.003 0.000 0.299 896 V C -2.557 173.544 176.094 0.011 0.000 1.040 896 V CA -2.742 59.561 62.300 0.005 0.000 0.913 896 V CB 1.172 33.000 31.823 0.008 0.000 0.992 896 V HN 0.805 nan 8.190 nan 0.000 0.449 897 P HA 0.309 nan 4.420 nan 0.000 0.272 897 P C -0.215 177.097 177.300 0.020 0.000 1.230 897 P CA -0.138 62.969 63.100 0.012 0.000 0.788 897 P CB 1.486 33.191 31.700 0.007 0.000 0.949 898 A N -0.545 122.289 122.820 0.024 0.000 2.705 898 A HA 0.615 4.937 4.320 0.003 0.000 0.294 898 A C 0.259 177.858 177.584 0.026 0.000 1.039 898 A CA 0.561 52.617 52.037 0.032 0.000 1.005 898 A CB -0.687 18.341 19.000 0.047 0.000 1.192 898 A HN 0.736 nan 8.150 nan 0.000 0.513 899 D N 0.000 120.411 120.400 0.018 0.000 6.856 899 D HA 0.000 4.642 4.640 0.003 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