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 1w2t_1_A DATA FIRST_RESID 1 DATA SEQUENCE LFKPNYHFFP ITGWMNDPNG LIFWKGKYHM FYQYNPRKPE WGNICWGHAV DATA SEQUENCE SDDLVHWRHL PVALYPDDET HGVFSGSAVE KDGKMFLVYT YYRDPTHNKG DATA SEQUENCE EKETQCVVMS ENGLDFVKYD GNPVISKPPE EGTHAFRDPK VNRSNGEWRM DATA SEQUENCE VLGSGKDEKI GRVLLYTSDD LFHWKYEGAI FEDETTKEID CPDLVRIGEK DATA SEQUENCE DILIYSITST NSVLFSMGEL KEGKLNVEKR GLLDHGTDFY AAQTFFGTDR DATA SEQUENCE VVVIGWLQSW LRTGLYPTKR EGWNGVMSLP RELYVENNEL KVKPVDELLA DATA SEQUENCE LRKRKVFETA KSGTFLLDVK ENSYEIVCEF SGEIELRMGN ESEEVVITKS DATA SEQUENCE RDELIVDTTR SGVSGGEVRK STVEDEATNR IRAFLDSCSV EFFFNDSIAF DATA SEQUENCE SFRIHPENVY NILSVKSNQV KLEVFELENI WL 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.671 176.870 -0.331 0.000 1.165 1 L CA 0.000 54.592 54.840 -0.413 0.000 0.813 1 L CB 0.000 41.473 42.059 -0.977 0.000 0.961 2 F N 1.419 121.393 119.950 0.040 0.000 2.732 2 F HA 0.222 4.794 4.527 0.075 0.000 0.303 2 F C 0.619 176.480 175.800 0.102 0.000 1.110 2 F CA -0.240 57.798 58.000 0.064 0.000 1.355 2 F CB 0.022 39.055 39.000 0.054 0.000 1.081 2 F HN -0.231 nan 8.300 nan 0.000 0.565 3 K N 2.944 123.403 120.400 0.098 0.000 2.402 3 K HA 0.107 4.473 4.320 0.076 0.000 0.285 3 K C -2.414 173.916 176.600 -0.451 0.000 1.054 3 K CA -1.627 54.374 56.287 -0.477 0.000 1.001 3 K CB -0.002 32.271 32.500 -0.379 0.000 0.946 3 K HN -0.118 nan 8.250 nan 0.000 0.473 4 P HA -0.036 nan 4.420 nan 0.000 0.266 4 P C 0.112 177.469 177.300 0.094 0.000 1.195 4 P CA 0.019 62.972 63.100 -0.245 0.000 0.768 4 P CB 0.541 32.126 31.700 -0.191 0.000 0.838 5 N N 1.496 120.272 118.700 0.127 0.000 2.290 5 N HA -0.103 4.683 4.740 0.076 0.000 0.179 5 N C 0.832 176.556 175.510 0.356 0.000 1.016 5 N CA 1.449 54.686 53.050 0.312 0.000 0.871 5 N CB 0.024 38.697 38.487 0.310 0.000 0.987 5 N HN 0.630 nan 8.380 nan 0.000 0.431 6 Y N -1.865 118.564 120.300 0.215 0.000 2.767 6 Y HA 0.467 5.064 4.550 0.078 0.000 0.254 6 Y C -0.361 175.558 175.900 0.031 0.000 1.133 6 Y CA -0.901 57.221 58.100 0.036 0.000 1.225 6 Y CB -0.740 37.688 38.460 -0.054 0.000 1.312 6 Y HN -0.146 nan 8.280 nan 0.000 0.560 7 H N 0.628 119.717 119.070 0.031 0.000 2.502 7 H HA 0.395 4.997 4.556 0.075 0.000 0.338 7 H C -1.273 174.320 175.328 0.441 0.000 1.155 7 H CA -0.972 55.176 56.048 0.168 0.000 1.237 7 H CB 1.312 31.076 29.762 0.004 0.000 1.534 7 H HN 0.204 nan 8.280 nan 0.000 0.523 8 F N 3.895 124.044 119.950 0.332 0.000 2.443 8 F HA 0.322 4.894 4.527 0.075 0.000 0.353 8 F C -0.948 174.972 175.800 0.200 0.000 1.101 8 F CA -0.490 57.635 58.000 0.208 0.000 1.226 8 F CB -0.014 38.764 39.000 -0.370 0.000 1.140 8 F HN 0.439 nan 8.300 nan 0.000 0.557 9 F N 5.550 124.932 119.950 -0.948 0.000 2.668 9 F HA 0.694 5.266 4.527 0.076 0.000 0.309 9 F C -3.183 171.952 175.800 -1.110 0.000 1.117 9 F CA -3.064 54.418 58.000 -0.864 0.000 0.951 9 F CB 0.375 38.943 39.000 -0.720 0.000 1.323 9 F HN 0.201 nan 8.300 nan 0.000 0.451 10 P HA 0.235 nan 4.420 nan 0.000 0.274 10 P C 1.003 177.831 177.300 -0.785 0.000 1.231 10 P CA -0.252 62.420 63.100 -0.713 0.000 0.790 10 P CB 1.475 33.071 31.700 -0.175 0.000 0.951 11 I N -1.310 118.804 120.570 -0.760 0.000 2.614 11 I HA 0.033 4.249 4.170 0.076 0.000 0.258 11 I C 0.621 176.607 176.117 -0.219 0.000 1.189 11 I CA 1.052 61.984 61.300 -0.613 0.000 1.462 11 I CB -0.212 37.443 38.000 -0.575 0.000 1.092 11 I HN 0.300 nan 8.210 nan 0.000 0.442 12 T N -0.506 114.046 114.554 -0.003 0.000 2.893 12 T HA 0.535 4.930 4.350 0.076 0.000 0.337 12 T C -0.316 174.577 174.700 0.321 0.000 1.587 12 T CA 0.280 62.484 62.100 0.173 0.000 1.066 12 T CB 0.889 69.829 68.868 0.119 0.000 1.414 12 T HN 1.020 nan 8.240 nan 0.000 0.488 13 G N 2.411 111.403 108.800 0.321 0.000 2.584 13 G HA2 -0.132 3.874 3.960 0.076 0.000 0.229 13 G HA3 -0.132 3.874 3.960 0.076 0.000 0.229 13 G C -0.744 174.431 174.900 0.459 0.000 1.320 13 G CA 0.039 45.332 45.100 0.320 0.000 0.891 13 G HN 1.060 nan 8.290 nan 0.000 0.573 14 W N 1.126 122.576 121.300 0.251 0.000 2.469 14 W HA 0.744 5.451 4.660 0.078 0.000 0.320 14 W C -0.359 176.391 176.519 0.385 0.000 1.086 14 W CA -0.813 56.701 57.345 0.281 0.000 1.211 14 W CB 1.285 30.857 29.460 0.188 0.000 1.298 14 W HN 0.828 nan 8.180 nan 0.000 0.525 15 M N 7.991 127.335 119.600 -0.426 0.000 2.327 15 M HA 0.197 4.723 4.480 0.076 0.000 0.298 15 M C -0.553 175.299 176.300 -0.748 0.000 1.065 15 M CA -0.349 54.804 55.300 -0.243 0.000 0.916 15 M CB 1.458 34.015 32.600 -0.072 0.000 1.630 15 M HN 0.638 nan 8.290 nan 0.000 0.442 16 N N 2.120 120.457 118.700 -0.605 0.000 2.129 16 N HA 0.272 5.058 4.740 0.076 0.000 0.125 16 N C -1.020 173.969 175.510 -0.869 0.000 1.571 16 N CA -0.344 51.843 53.050 -1.438 0.000 1.136 16 N CB -0.394 37.261 38.487 -1.386 0.000 1.205 16 N HN 0.495 nan 8.380 nan 0.000 0.298 17 D N 3.041 123.130 120.400 -0.520 0.000 2.525 17 D HA 0.165 4.851 4.640 0.076 0.000 0.235 17 D C -2.046 174.131 176.300 -0.204 0.000 1.137 17 D CA -0.344 53.497 54.000 -0.266 0.000 0.868 17 D CB 0.011 40.722 40.800 -0.147 0.000 1.180 17 D HN 0.300 nan 8.370 nan 0.000 0.465 18 P HA 0.124 nan 4.420 nan 0.000 0.276 18 P C -0.621 176.523 177.300 -0.260 0.000 1.230 18 P CA -0.345 62.647 63.100 -0.181 0.000 0.776 18 P CB 0.827 32.440 31.700 -0.146 0.000 0.888 19 N N 0.894 119.369 118.700 -0.374 0.000 2.321 19 N HA 0.413 5.199 4.740 0.076 0.000 0.290 19 N C 0.576 175.881 175.510 -0.342 0.000 1.212 19 N CA -0.134 52.573 53.050 -0.572 0.000 0.767 19 N CB 1.421 39.017 38.487 -1.485 0.000 1.494 19 N HN 0.596 nan 8.380 nan 0.000 0.479 20 G N 0.462 109.154 108.800 -0.181 0.000 2.305 20 G HA2 -0.258 3.748 3.960 0.076 0.000 0.287 20 G HA3 -0.258 3.748 3.960 0.076 0.000 0.287 20 G C -0.266 174.763 174.900 0.215 0.000 1.036 20 G CA 0.088 45.264 45.100 0.127 0.000 0.887 20 G HN 0.453 nan 8.290 nan 0.000 0.505 21 L N -0.279 120.914 121.223 -0.051 0.000 2.500 21 L HA 0.546 4.932 4.340 0.076 0.000 0.272 21 L C 0.756 177.642 176.870 0.027 0.000 1.149 21 L CA 0.122 54.738 54.840 -0.373 0.000 0.897 21 L CB 0.671 42.100 42.059 -1.050 0.000 1.178 21 L HN 0.362 nan 8.230 nan 0.000 0.473 22 I N 3.099 123.942 120.570 0.455 0.000 2.775 22 I HA 0.310 4.525 4.170 0.076 0.000 0.295 22 I C -1.406 175.244 176.117 0.888 0.000 1.287 22 I CA -0.655 61.080 61.300 0.726 0.000 1.029 22 I CB 2.504 40.810 38.000 0.511 0.000 1.282 22 I HN 0.318 nan 8.210 nan 0.000 0.426 23 F N 7.965 128.273 119.950 0.596 0.000 2.390 23 F HA 0.454 5.027 4.527 0.078 0.000 0.361 23 F C -1.374 174.630 175.800 0.341 0.000 1.124 23 F CA -0.208 57.937 58.000 0.242 0.000 1.149 23 F CB 0.518 39.482 39.000 -0.059 0.000 1.160 23 F HN 0.491 nan 8.300 nan 0.000 0.501 24 W N 8.058 129.162 121.300 -0.328 0.000 2.900 24 W HA 0.410 5.115 4.660 0.076 0.000 0.336 24 W C -0.238 176.067 176.519 -0.357 0.000 1.064 24 W CA -1.548 55.647 57.345 -0.250 0.000 1.237 24 W CB 1.047 30.424 29.460 -0.137 0.000 1.391 24 W HN 0.594 nan 8.180 nan 0.000 0.468 25 K N 4.646 124.494 120.400 -0.920 0.000 3.156 25 K HA -0.165 4.201 4.320 0.076 0.000 0.266 25 K C 0.962 177.242 176.600 -0.532 0.000 0.966 25 K CA 1.605 57.404 56.287 -0.813 0.000 0.719 25 K CB -1.229 30.590 32.500 -1.134 0.000 1.333 25 K HN 1.344 nan 8.250 nan 0.000 0.468 26 G N -0.760 107.604 108.800 -0.728 0.000 2.159 26 G HA2 -0.345 3.661 3.960 0.076 0.000 0.256 26 G HA3 -0.345 3.661 3.960 0.076 0.000 0.256 26 G C -0.175 174.452 174.900 -0.456 0.000 0.977 26 G CA 0.846 45.616 45.100 -0.549 0.000 0.652 26 G HN 0.367 nan 8.290 nan 0.000 0.531 27 K N -0.812 119.270 120.400 -0.529 0.000 2.469 27 K HA 0.527 4.893 4.320 0.076 0.000 0.254 27 K C -1.128 175.510 176.600 0.063 0.000 0.939 27 K CA -0.996 55.238 56.287 -0.088 0.000 0.812 27 K CB 1.646 34.208 32.500 0.103 0.000 1.301 27 K HN 0.079 nan 8.250 nan 0.000 0.433 28 Y N 1.523 122.028 120.300 0.342 0.000 2.436 28 Y HA 0.142 4.739 4.550 0.078 0.000 0.343 28 Y C 0.136 176.355 175.900 0.532 0.000 1.008 28 Y CA -0.189 58.212 58.100 0.502 0.000 1.241 28 Y CB 0.340 38.941 38.460 0.236 0.000 1.153 28 Y HN 0.421 nan 8.280 nan 0.000 0.521 29 H N 3.660 123.128 119.070 0.663 0.000 2.489 29 H HA 0.472 5.074 4.556 0.076 0.000 0.322 29 H C -0.611 174.908 175.328 0.318 0.000 1.091 29 H CA -0.687 55.620 56.048 0.432 0.000 1.291 29 H CB 1.262 31.222 29.762 0.329 0.000 1.436 29 H HN 0.662 nan 8.280 nan 0.000 0.480 30 M N 4.585 124.223 119.600 0.063 0.000 2.151 30 M HA 0.421 4.947 4.480 0.076 0.000 0.290 30 M C -1.741 174.326 176.300 -0.388 0.000 0.965 30 M CA -0.435 54.745 55.300 -0.199 0.000 0.930 30 M CB 0.719 33.011 32.600 -0.513 0.000 1.560 30 M HN 0.361 nan 8.290 nan 0.000 0.438 31 F N 3.792 123.641 119.950 -0.167 0.000 2.410 31 F HA 0.777 5.350 4.527 0.077 0.000 0.324 31 F C -0.545 175.062 175.800 -0.322 0.000 1.093 31 F CA -0.271 57.554 58.000 -0.291 0.000 1.028 31 F CB 1.169 39.910 39.000 -0.432 0.000 1.309 31 F HN 0.570 nan 8.300 nan 0.000 0.499 32 Y N -2.157 117.955 120.300 -0.314 0.000 2.565 32 Y HA 0.367 4.963 4.550 0.077 0.000 0.330 32 Y C -1.334 174.394 175.900 -0.287 0.000 1.150 32 Y CA -1.742 56.147 58.100 -0.352 0.000 1.055 32 Y CB 0.515 38.849 38.460 -0.210 0.000 1.337 32 Y HN 0.373 nan 8.280 nan 0.000 0.457 33 Q N 2.503 122.224 119.800 -0.131 0.000 2.247 33 Q HA 0.076 4.461 4.340 0.076 0.000 0.288 33 Q C -1.544 174.610 176.000 0.257 0.000 1.079 33 Q CA 0.686 56.493 55.803 0.007 0.000 0.932 33 Q CB 0.696 29.450 28.738 0.027 0.000 1.133 33 Q HN 0.744 nan 8.270 nan 0.000 0.377 34 Y N 2.963 123.294 120.300 0.051 0.000 2.433 34 Y HA 0.279 4.875 4.550 0.077 0.000 0.337 34 Y C -1.205 174.743 175.900 0.081 0.000 1.026 34 Y CA -1.793 56.380 58.100 0.122 0.000 1.037 34 Y CB 1.455 39.894 38.460 -0.036 0.000 1.245 34 Y HN 0.517 nan 8.280 nan 0.000 0.443 35 N N 7.964 126.629 118.700 -0.058 0.000 2.626 35 N HA 0.408 5.193 4.740 0.076 0.000 0.249 35 N C -2.388 172.844 175.510 -0.464 0.000 1.021 35 N CA -2.545 50.336 53.050 -0.281 0.000 0.886 35 N CB 1.911 40.327 38.487 -0.118 0.000 1.149 35 N HN 0.312 nan 8.380 nan 0.000 0.517 36 P HA -0.074 nan 4.420 nan 0.000 0.226 36 P C 0.730 177.954 177.300 -0.127 0.000 1.153 36 P CA 0.780 63.583 63.100 -0.495 0.000 0.777 36 P CB 0.533 31.990 31.700 -0.405 0.000 0.794 37 R N 0.594 121.030 120.500 -0.107 0.000 2.115 37 R HA 0.006 4.391 4.340 0.076 0.000 0.226 37 R C 1.034 177.341 176.300 0.013 0.000 1.100 37 R CA 1.021 57.101 56.100 -0.032 0.000 0.980 37 R CB -0.248 30.027 30.300 -0.041 0.000 0.875 37 R HN 0.395 nan 8.270 nan 0.000 0.445 38 K N -1.174 119.250 120.400 0.039 0.000 2.607 38 K HA 0.244 4.610 4.320 0.076 0.000 0.287 38 K C -2.863 173.839 176.600 0.170 0.000 0.996 38 K CA -1.588 54.749 56.287 0.084 0.000 0.876 38 K CB 1.855 34.385 32.500 0.049 0.000 1.496 38 K HN -0.313 nan 8.250 nan 0.000 0.415 39 P HA 0.110 nan 4.420 nan 0.000 0.243 39 P C -1.031 176.509 177.300 0.401 0.000 1.668 39 P CA 0.333 63.628 63.100 0.325 0.000 0.898 39 P CB 0.086 31.910 31.700 0.206 0.000 1.637 40 E N -0.832 119.506 120.200 0.231 0.000 2.393 40 E HA 0.188 4.584 4.350 0.076 0.000 0.273 40 E C -1.000 175.370 176.600 -0.383 0.000 0.918 40 E CA -0.879 55.479 56.400 -0.071 0.000 0.773 40 E CB 1.121 30.787 29.700 -0.057 0.000 1.275 40 E HN 0.075 nan 8.360 nan 0.000 0.451 41 W N 1.190 121.801 121.300 -1.148 0.000 2.181 41 W HA 0.401 5.107 4.660 0.076 0.000 0.335 41 W C 0.339 176.627 176.519 -0.386 0.000 1.310 41 W CA 1.398 58.154 57.345 -0.982 0.000 1.226 41 W CB 0.571 29.525 29.460 -0.844 0.000 1.155 41 W HN 0.569 nan 8.180 nan 0.000 0.565 42 G N 3.276 111.498 108.800 -0.964 0.000 2.358 42 G HA2 0.095 4.101 3.960 0.076 0.000 0.301 42 G HA3 0.095 4.101 3.960 0.076 0.000 0.301 42 G C -0.700 173.806 174.900 -0.657 0.000 1.539 42 G CA -0.642 43.990 45.100 -0.779 0.000 0.893 42 G HN 0.743 nan 8.290 nan 0.000 0.636 43 N N -0.648 117.779 118.700 -0.454 0.000 2.699 43 N HA -0.173 4.612 4.740 0.076 0.000 0.256 43 N C 0.475 175.861 175.510 -0.207 0.000 0.993 43 N CA 0.709 53.627 53.050 -0.220 0.000 0.759 43 N CB -0.638 37.774 38.487 -0.124 0.000 0.906 43 N HN 0.599 nan 8.380 nan 0.000 0.541 44 I N 0.501 120.915 120.570 -0.258 0.000 2.556 44 I HA 0.051 4.267 4.170 0.076 0.000 0.284 44 I C 1.143 177.270 176.117 0.017 0.000 1.114 44 I CA -0.233 60.962 61.300 -0.173 0.000 1.418 44 I CB -0.135 37.758 38.000 -0.179 0.000 1.394 44 I HN 0.313 nan 8.210 nan 0.000 0.552 45 C N 5.671 124.973 119.300 0.004 0.000 2.668 45 C HA 0.493 4.999 4.460 0.076 0.000 0.355 45 C C -0.374 174.709 174.990 0.155 0.000 1.277 45 C CA -0.849 58.167 59.018 -0.004 0.000 1.787 45 C CB 1.503 29.106 27.740 -0.230 0.000 2.233 45 C HN 0.690 nan 8.230 nan 0.000 0.495 46 W N 1.641 122.769 121.300 -0.287 0.000 2.311 46 W HA 0.525 5.232 4.660 0.078 0.000 0.317 46 W C 0.685 176.985 176.519 -0.365 0.000 1.065 46 W CA -0.234 56.923 57.345 -0.313 0.000 1.364 46 W CB 0.299 29.520 29.460 -0.398 0.000 1.233 46 W HN 0.964 nan 8.180 nan 0.000 0.409 47 G N 1.531 110.019 108.800 -0.520 0.000 2.651 47 G HA2 0.270 4.275 3.960 0.076 0.000 0.260 47 G HA3 0.270 4.275 3.960 0.076 0.000 0.260 47 G C -1.302 173.271 174.900 -0.546 0.000 1.216 47 G CA -0.287 44.277 45.100 -0.893 0.000 0.913 47 G HN 0.616 nan 8.290 nan 0.000 0.535 48 H N -1.165 117.727 119.070 -0.297 0.000 2.947 48 H HA 0.547 5.148 4.556 0.076 0.000 0.354 48 H C -0.685 174.624 175.328 -0.032 0.000 1.085 48 H CA -0.517 55.410 56.048 -0.202 0.000 1.253 48 H CB 1.678 31.396 29.762 -0.073 0.000 1.757 48 H HN 0.821 nan 8.280 nan 0.000 0.523 49 A N 3.788 126.589 122.820 -0.032 0.000 2.569 49 A HA 0.717 5.082 4.320 0.076 0.000 0.290 49 A C -1.613 175.908 177.584 -0.106 0.000 1.136 49 A CA -0.536 51.417 52.037 -0.140 0.000 0.710 49 A CB 2.071 20.859 19.000 -0.353 0.000 1.303 49 A HN 0.439 nan 8.150 nan 0.000 0.413 50 V N 0.425 120.364 119.914 0.041 0.000 3.012 50 V HA 0.834 5.000 4.120 0.076 0.000 0.307 50 V C -0.787 175.367 176.094 0.100 0.000 1.166 50 V CA 0.392 62.699 62.300 0.011 0.000 0.974 50 V CB 2.432 34.066 31.823 -0.316 0.000 1.040 50 V HN 1.919 nan 8.190 nan 0.000 0.428 51 S N 2.476 118.138 115.700 -0.062 0.000 2.564 51 S HA 0.555 5.070 4.470 0.076 0.000 0.274 51 S C -0.353 174.212 174.600 -0.058 0.000 1.124 51 S CA -0.646 57.373 58.200 -0.301 0.000 0.869 51 S CB 1.917 64.473 63.200 -1.074 0.000 1.105 51 S HN 0.635 nan 8.310 nan 0.000 0.472 52 D N 0.892 121.265 120.400 -0.044 0.000 2.317 52 D HA 0.081 4.766 4.640 0.076 0.000 0.211 52 D C 0.465 176.871 176.300 0.175 0.000 0.966 52 D CA 1.242 55.288 54.000 0.077 0.000 0.876 52 D CB 0.005 40.817 40.800 0.019 0.000 0.927 52 D HN 0.799 nan 8.370 nan 0.000 0.519 53 D N -1.004 119.378 120.400 -0.030 0.000 2.672 53 D HA 0.018 4.704 4.640 0.076 0.000 0.287 53 D C 0.965 176.943 176.300 -0.538 0.000 1.559 53 D CA -0.353 53.543 54.000 -0.173 0.000 0.796 53 D CB -0.657 40.067 40.800 -0.127 0.000 1.181 53 D HN 0.037 nan 8.370 nan 0.000 0.458 54 L N -0.689 120.030 121.223 -0.839 0.000 4.813 54 L HA -0.305 4.081 4.340 0.076 0.000 0.434 54 L C 0.540 176.947 176.870 -0.772 0.000 1.106 54 L CA 0.891 55.175 54.840 -0.926 0.000 0.991 54 L CB -1.464 40.072 42.059 -0.871 0.000 2.005 54 L HN 0.208 nan 8.230 nan 0.000 0.817 55 V N -2.899 116.482 119.914 -0.888 0.000 3.177 55 V HA 0.044 4.209 4.120 0.076 0.000 0.219 55 V C 0.865 176.480 176.094 -0.798 0.000 1.344 55 V CA 0.509 62.396 62.300 -0.688 0.000 1.324 55 V CB 0.213 31.692 31.823 -0.572 0.000 1.165 55 V HN 0.313 nan 8.190 nan 0.000 0.510 56 H N 0.135 118.822 119.070 -0.637 0.000 3.045 56 H HA 0.150 4.753 4.556 0.077 0.000 0.254 56 H C -0.707 174.326 175.328 -0.492 0.000 1.747 56 H CA -0.296 55.465 56.048 -0.479 0.000 1.444 56 H CB -0.364 29.205 29.762 -0.321 0.000 1.778 56 H HN 0.398 nan 8.280 nan 0.000 0.544 57 W N 2.009 123.186 121.300 -0.205 0.000 2.202 57 W HA 0.313 5.018 4.660 0.075 0.000 0.332 57 W C 0.344 176.759 176.519 -0.173 0.000 1.263 57 W CA -0.642 56.601 57.345 -0.170 0.000 1.223 57 W CB 0.663 30.084 29.460 -0.066 0.000 1.128 57 W HN 0.278 nan 8.180 nan 0.000 0.573 58 R N 1.916 122.506 120.500 0.151 0.000 2.561 58 R HA 0.254 4.640 4.340 0.076 0.000 0.297 58 R C -0.601 175.734 176.300 0.060 0.000 0.969 58 R CA -1.125 55.031 56.100 0.093 0.000 0.879 58 R CB 1.449 31.783 30.300 0.057 0.000 1.178 58 R HN 0.437 nan 8.270 nan 0.000 0.445 59 H N 2.918 122.155 119.070 0.278 0.000 2.764 59 H HA 0.130 4.732 4.556 0.076 0.000 0.341 59 H C -0.016 175.355 175.328 0.072 0.000 1.072 59 H CA 0.216 56.380 56.048 0.192 0.000 1.444 59 H CB 0.900 30.745 29.762 0.139 0.000 1.458 59 H HN 0.050 nan 8.280 nan 0.000 0.572 60 L N 4.216 125.508 121.223 0.114 0.000 2.286 60 L HA 0.397 4.783 4.340 0.076 0.000 0.265 60 L C -1.822 175.125 176.870 0.128 0.000 1.012 60 L CA -2.572 52.280 54.840 0.021 0.000 0.818 60 L CB 0.549 42.431 42.059 -0.295 0.000 1.337 60 L HN 0.483 nan 8.230 nan 0.000 0.438 61 P HA 0.049 nan 4.420 nan 0.000 0.266 61 P C -0.617 176.819 177.300 0.227 0.000 1.193 61 P CA -0.318 62.902 63.100 0.201 0.000 0.770 61 P CB 0.262 32.093 31.700 0.217 0.000 0.836 62 V N 2.208 122.232 119.914 0.183 0.000 2.644 62 V HA -0.014 4.151 4.120 0.076 0.000 0.305 62 V C 1.476 177.600 176.094 0.051 0.000 1.053 62 V CA 1.359 63.690 62.300 0.052 0.000 1.186 62 V CB 0.109 31.863 31.823 -0.115 0.000 0.895 62 V HN 0.784 nan 8.190 nan 0.000 0.490 63 A N 5.937 128.744 122.820 -0.021 0.000 1.901 63 A HA 0.382 4.748 4.320 0.076 0.000 0.210 63 A C 0.647 178.067 177.584 -0.273 0.000 1.208 63 A CA 0.599 52.558 52.037 -0.131 0.000 0.644 63 A CB 0.098 18.845 19.000 -0.422 0.000 0.863 63 A HN 0.626 nan 8.150 nan 0.000 0.454 64 L N -0.444 120.556 121.223 -0.373 0.000 2.385 64 L HA 0.555 4.940 4.340 0.076 0.000 0.273 64 L C -1.505 175.162 176.870 -0.339 0.000 0.990 64 L CA -0.759 53.846 54.840 -0.392 0.000 0.821 64 L CB 1.772 43.381 42.059 -0.751 0.000 1.279 64 L HN 0.306 nan 8.230 nan 0.000 0.412 65 Y N 2.060 122.293 120.300 -0.113 0.000 2.509 65 Y HA 0.531 5.127 4.550 0.077 0.000 0.341 65 Y C -1.993 173.904 175.900 -0.005 0.000 1.038 65 Y CA -2.130 55.950 58.100 -0.034 0.000 1.089 65 Y CB 1.519 39.972 38.460 -0.011 0.000 1.241 65 Y HN 0.382 nan 8.280 nan 0.000 0.468 66 P HA 0.081 nan 4.420 nan 0.000 0.274 66 P C -0.437 176.988 177.300 0.208 0.000 1.237 66 P CA -0.100 63.180 63.100 0.299 0.000 0.793 66 P CB 1.262 33.126 31.700 0.273 0.000 0.977 67 D N -0.209 120.304 120.400 0.188 0.000 2.269 67 D HA -0.034 4.652 4.640 0.076 0.000 0.208 67 D C 0.432 176.772 176.300 0.066 0.000 0.963 67 D CA 1.417 55.459 54.000 0.070 0.000 0.864 67 D CB -0.003 40.798 40.800 0.002 0.000 0.936 67 D HN 0.591 nan 8.370 nan 0.000 0.505 68 D N -2.067 118.403 120.400 0.116 0.000 2.825 68 D HA 0.145 4.831 4.640 0.076 0.000 0.327 68 D C 0.442 176.816 176.300 0.124 0.000 1.277 68 D CA -0.592 53.472 54.000 0.107 0.000 0.950 68 D CB 0.664 41.532 40.800 0.115 0.000 1.438 68 D HN -0.395 nan 8.370 nan 0.000 0.526 69 E N -0.806 119.447 120.200 0.088 0.000 2.427 69 E HA 0.007 4.403 4.350 0.076 0.000 0.196 69 E C 0.954 177.584 176.600 0.050 0.000 1.028 69 E CA 1.171 57.606 56.400 0.058 0.000 0.864 69 E CB -0.113 29.607 29.700 0.033 0.000 0.813 69 E HN 0.647 nan 8.360 nan 0.000 0.514 70 T N -2.453 112.144 114.554 0.071 0.000 3.176 70 T HA 0.197 4.593 4.350 0.076 0.000 0.263 70 T C 0.195 174.772 174.700 -0.206 0.000 1.021 70 T CA -0.321 61.756 62.100 -0.039 0.000 0.905 70 T CB -0.061 68.762 68.868 -0.075 0.000 1.057 70 T HN -0.050 nan 8.240 nan 0.000 0.558 71 H N -0.424 118.621 119.070 -0.041 0.000 2.834 71 H HA 0.772 5.374 4.556 0.076 0.000 0.369 71 H C 0.118 175.435 175.328 -0.019 0.000 1.174 71 H CA -0.408 55.559 56.048 -0.136 0.000 1.165 71 H CB 1.990 31.563 29.762 -0.315 0.000 1.820 71 H HN 0.382 nan 8.280 nan 0.000 0.558 72 G N -0.228 108.639 108.800 0.112 0.000 2.667 72 G HA2 0.463 4.469 3.960 0.076 0.000 0.298 72 G HA3 0.463 4.469 3.960 0.076 0.000 0.298 72 G C -1.405 173.692 174.900 0.329 0.000 1.377 72 G CA -0.677 44.570 45.100 0.245 0.000 0.964 72 G HN 0.490 nan 8.290 nan 0.000 0.493 73 V N 2.869 123.018 119.914 0.392 0.000 2.299 73 V HA 0.300 4.466 4.120 0.076 0.000 0.255 73 V C -0.104 176.373 176.094 0.638 0.000 1.100 73 V CA -0.617 61.925 62.300 0.402 0.000 0.938 73 V CB -0.709 31.119 31.823 0.007 0.000 1.139 73 V HN 0.474 nan 8.190 nan 0.000 0.490 74 F N 1.544 121.716 119.950 0.372 0.000 2.331 74 F HA 0.334 4.907 4.527 0.077 0.000 0.293 74 F C 1.479 177.571 175.800 0.486 0.000 1.277 74 F CA -0.508 57.705 58.000 0.354 0.000 1.204 74 F CB 0.407 39.556 39.000 0.248 0.000 1.374 74 F HN 0.331 nan 8.300 nan 0.000 0.520 75 S N -0.679 115.292 115.700 0.451 0.000 2.584 75 S HA 0.571 5.086 4.470 0.076 0.000 0.270 75 S C 0.384 175.237 174.600 0.421 0.000 1.346 75 S CA 0.235 58.618 58.200 0.304 0.000 1.018 75 S CB 0.796 64.051 63.200 0.092 0.000 0.899 75 S HN 0.947 nan 8.310 nan 0.000 0.542 76 G N 0.218 109.246 108.800 0.380 0.000 2.427 76 G HA2 0.564 4.569 3.960 0.076 0.000 0.306 76 G HA3 0.564 4.569 3.960 0.076 0.000 0.306 76 G C -1.154 173.906 174.900 0.267 0.000 1.280 76 G CA -0.145 45.191 45.100 0.392 0.000 0.837 76 G HN 0.971 nan 8.290 nan 0.000 0.482 77 S N -1.558 114.295 115.700 0.254 0.000 2.740 77 S HA 0.946 5.461 4.470 0.076 0.000 0.300 77 S C -0.400 174.282 174.600 0.135 0.000 1.147 77 S CA -0.008 58.281 58.200 0.149 0.000 0.871 77 S CB 1.740 65.001 63.200 0.101 0.000 1.173 77 S HN 2.334 nan 8.310 nan 0.000 0.510 78 A N 0.133 123.003 122.820 0.084 0.000 2.475 78 A HA 0.880 5.246 4.320 0.076 0.000 0.301 78 A C -0.403 177.082 177.584 -0.164 0.000 1.059 78 A CA -0.498 51.544 52.037 0.010 0.000 0.710 78 A CB 1.362 20.424 19.000 0.103 0.000 1.288 78 A HN 2.018 nan 8.150 nan 0.000 0.408 79 V N -1.131 118.572 119.914 -0.352 0.000 3.167 79 V HA 0.835 5.001 4.120 0.076 0.000 0.310 79 V C -0.589 175.299 176.094 -0.344 0.000 1.207 79 V CA -0.756 61.004 62.300 -0.899 0.000 1.059 79 V CB 1.724 32.989 31.823 -0.930 0.000 1.079 79 V HN 1.003 nan 8.190 nan 0.000 0.446 80 E N 1.099 121.198 120.200 -0.169 0.000 2.187 80 E HA 0.578 4.974 4.350 0.076 0.000 0.268 80 E C -1.227 175.609 176.600 0.394 0.000 0.896 80 E CA -0.798 55.795 56.400 0.322 0.000 0.766 80 E CB 1.791 31.834 29.700 0.572 0.000 1.142 80 E HN 0.768 nan 8.360 nan 0.000 0.408 81 K N 3.943 124.584 120.400 0.401 0.000 2.535 81 K HA 0.155 4.521 4.320 0.076 0.000 0.250 81 K C -1.257 175.562 176.600 0.366 0.000 0.948 81 K CA -0.465 56.022 56.287 0.333 0.000 0.796 81 K CB 0.981 33.462 32.500 -0.032 0.000 1.216 81 K HN 0.586 nan 8.250 nan 0.000 0.432 82 D N 3.036 123.602 120.400 0.277 0.000 2.772 82 D HA -0.200 4.486 4.640 0.076 0.000 0.233 82 D C 0.698 177.138 176.300 0.234 0.000 1.143 82 D CA 1.857 55.994 54.000 0.227 0.000 0.700 82 D CB -1.156 39.773 40.800 0.216 0.000 1.076 82 D HN 1.103 nan 8.370 nan 0.000 0.430 83 G N -0.953 108.002 108.800 0.259 0.000 2.234 83 G HA2 -0.383 3.623 3.960 0.076 0.000 0.260 83 G HA3 -0.383 3.623 3.960 0.076 0.000 0.260 83 G C 0.382 175.531 174.900 0.415 0.000 0.987 83 G CA 0.909 46.158 45.100 0.249 0.000 0.625 83 G HN 0.518 nan 8.290 nan 0.000 0.532 84 K N 0.029 120.664 120.400 0.392 0.000 2.095 84 K HA 0.689 5.054 4.320 0.076 0.000 0.252 84 K C 0.317 177.000 176.600 0.139 0.000 0.977 84 K CA -0.741 55.700 56.287 0.256 0.000 0.900 84 K CB 1.488 33.989 32.500 0.002 0.000 1.060 84 K HN 0.212 nan 8.250 nan 0.000 0.449 85 M N 2.754 122.129 119.600 -0.377 0.000 2.180 85 M HA 0.323 4.849 4.480 0.076 0.000 0.358 85 M C -1.553 174.436 176.300 -0.518 0.000 1.233 85 M CA -0.266 54.688 55.300 -0.575 0.000 1.114 85 M CB 0.360 32.294 32.600 -1.110 0.000 1.594 85 M HN 0.432 nan 8.290 nan 0.000 0.467 86 F N 5.215 125.015 119.950 -0.251 0.000 2.507 86 F HA 0.507 5.079 4.527 0.076 0.000 0.325 86 F C -0.775 174.892 175.800 -0.222 0.000 1.116 86 F CA -0.613 57.252 58.000 -0.224 0.000 0.930 86 F CB 1.521 40.340 39.000 -0.301 0.000 1.146 86 F HN 0.395 nan 8.300 nan 0.000 0.447 87 L N 4.431 125.622 121.223 -0.054 0.000 2.307 87 L HA 0.709 5.095 4.340 0.076 0.000 0.284 87 L C -0.873 175.990 176.870 -0.011 0.000 1.023 87 L CA -1.027 53.742 54.840 -0.117 0.000 0.810 87 L CB 1.553 43.353 42.059 -0.432 0.000 1.231 87 L HN 0.260 nan 8.230 nan 0.000 0.423 88 V N 3.776 123.696 119.914 0.010 0.000 2.409 88 V HA 0.533 4.699 4.120 0.076 0.000 0.291 88 V C -0.840 175.279 176.094 0.042 0.000 1.020 88 V CA -0.623 61.641 62.300 -0.060 0.000 0.848 88 V CB 1.176 32.912 31.823 -0.145 0.000 0.990 88 V HN 0.674 nan 8.190 nan 0.000 0.430 89 Y N 1.049 121.253 120.300 -0.159 0.000 2.638 89 Y HA 0.742 5.337 4.550 0.076 0.000 0.335 89 Y C -0.319 175.559 175.900 -0.036 0.000 1.155 89 Y CA -1.245 56.823 58.100 -0.055 0.000 1.046 89 Y CB 1.242 39.563 38.460 -0.232 0.000 1.303 89 Y HN 0.334 nan 8.280 nan 0.000 0.460 90 T N 2.593 117.268 114.554 0.201 0.000 2.780 90 T HA 0.188 4.583 4.350 0.076 0.000 0.294 90 T C -1.477 173.427 174.700 0.340 0.000 0.949 90 T CA 0.009 62.191 62.100 0.137 0.000 1.074 90 T CB -0.059 68.912 68.868 0.172 0.000 0.910 90 T HN 0.536 nan 8.240 nan 0.000 0.501 91 Y N 3.859 124.187 120.300 0.047 0.000 2.328 91 Y HA 0.464 5.060 4.550 0.076 0.000 0.337 91 Y C -0.864 175.064 175.900 0.047 0.000 1.008 91 Y CA -1.923 56.246 58.100 0.115 0.000 1.129 91 Y CB 0.574 39.072 38.460 0.064 0.000 1.185 91 Y HN 0.655 nan 8.280 nan 0.000 0.476 92 Y N 6.666 126.650 120.300 -0.527 0.000 2.364 92 Y HA 0.565 5.161 4.550 0.077 0.000 0.340 92 Y C -0.828 174.733 175.900 -0.566 0.000 0.975 92 Y CA -1.024 56.688 58.100 -0.648 0.000 1.089 92 Y CB 0.841 38.491 38.460 -1.351 0.000 1.192 92 Y HN 0.669 nan 8.280 nan 0.000 0.454 93 R N 4.732 124.660 120.500 -0.955 0.000 2.387 93 R HA 0.273 4.659 4.340 0.076 0.000 0.314 93 R C -1.109 174.574 176.300 -1.029 0.000 0.958 93 R CA -0.737 54.753 56.100 -1.017 0.000 0.846 93 R CB 0.672 30.578 30.300 -0.658 0.000 1.147 93 R HN 0.742 nan 8.270 nan 0.000 0.447 94 D N 5.525 125.526 120.400 -0.665 0.000 2.449 94 D HA 0.049 4.735 4.640 0.076 0.000 0.236 94 D C -2.040 174.073 176.300 -0.311 0.000 1.149 94 D CA -0.703 53.102 54.000 -0.324 0.000 0.878 94 D CB 0.692 41.413 40.800 -0.131 0.000 1.198 94 D HN 0.373 nan 8.370 nan 0.000 0.446 95 P HA 0.089 nan 4.420 nan 0.000 0.275 95 P C -0.178 177.034 177.300 -0.146 0.000 1.228 95 P CA -0.326 62.676 63.100 -0.163 0.000 0.786 95 P CB 0.823 32.454 31.700 -0.116 0.000 0.927 96 T N -2.028 112.448 114.554 -0.130 0.000 2.844 96 T HA 0.278 4.673 4.350 0.076 0.000 0.274 96 T C 1.360 175.983 174.700 -0.129 0.000 0.991 96 T CA -0.365 61.665 62.100 -0.118 0.000 0.983 96 T CB 0.335 69.171 68.868 -0.053 0.000 1.310 96 T HN 0.335 nan 8.240 nan 0.000 0.596 97 H N 0.285 119.335 119.070 -0.032 0.000 2.389 97 H HA 0.020 4.622 4.556 0.076 0.000 0.299 97 H C 1.834 177.145 175.328 -0.028 0.000 1.081 97 H CA 1.978 58.010 56.048 -0.027 0.000 1.345 97 H CB -0.051 29.698 29.762 -0.022 0.000 1.393 97 H HN 0.619 nan 8.280 nan 0.000 0.520 98 N N 0.065 118.811 118.700 0.078 0.000 2.409 98 N HA -0.004 4.782 4.740 0.076 0.000 0.174 98 N C -0.090 175.419 175.510 -0.001 0.000 1.037 98 N CA 0.230 53.299 53.050 0.033 0.000 0.898 98 N CB 0.601 39.102 38.487 0.024 0.000 1.010 98 N HN 0.192 nan 8.380 nan 0.000 0.445 99 K N 0.572 120.958 120.400 -0.024 0.000 2.207 99 K HA 0.421 4.786 4.320 0.076 0.000 0.255 99 K C -0.006 176.554 176.600 -0.067 0.000 0.941 99 K CA -0.818 55.443 56.287 -0.045 0.000 0.825 99 K CB 2.166 34.630 32.500 -0.059 0.000 1.119 99 K HN -0.079 nan 8.250 nan 0.000 0.430 100 G N 0.901 109.665 108.800 -0.060 0.000 2.588 100 G HA2 0.075 4.081 3.960 0.076 0.000 0.281 100 G HA3 0.075 4.081 3.960 0.076 0.000 0.281 100 G C -0.364 174.467 174.900 -0.116 0.000 1.236 100 G CA -0.517 44.539 45.100 -0.073 0.000 0.969 100 G HN 0.757 nan 8.290 nan 0.000 0.504 101 E N -0.809 119.310 120.200 -0.135 0.000 2.404 101 E HA 0.230 4.626 4.350 0.076 0.000 0.261 101 E C -0.460 176.001 176.600 -0.231 0.000 1.074 101 E CA -0.138 56.095 56.400 -0.278 0.000 0.917 101 E CB 0.952 30.498 29.700 -0.256 0.000 0.965 101 E HN 0.342 nan 8.360 nan 0.000 0.433 102 K N 1.823 122.006 120.400 -0.362 0.000 2.345 102 K HA 0.243 4.608 4.320 0.076 0.000 0.255 102 K C -1.406 175.066 176.600 -0.213 0.000 0.934 102 K CA -0.502 55.663 56.287 -0.204 0.000 0.801 102 K CB 1.599 34.004 32.500 -0.157 0.000 1.137 102 K HN 0.560 nan 8.250 nan 0.000 0.424 103 E N 1.867 122.050 120.200 -0.030 0.000 2.199 103 E HA 0.271 4.667 4.350 0.076 0.000 0.265 103 E C -1.068 175.602 176.600 0.117 0.000 0.882 103 E CA -0.778 55.644 56.400 0.037 0.000 0.759 103 E CB 2.149 31.929 29.700 0.133 0.000 1.148 103 E HN 0.701 nan 8.360 nan 0.000 0.412 104 T N -0.052 114.539 114.554 0.061 0.000 2.916 104 T HA 0.470 4.866 4.350 0.076 0.000 0.292 104 T C -0.625 174.023 174.700 -0.086 0.000 1.064 104 T CA -1.179 60.945 62.100 0.039 0.000 1.011 104 T CB 1.493 70.390 68.868 0.049 0.000 1.152 104 T HN 0.123 nan 8.240 nan 0.000 0.510 105 Q N 0.263 119.953 119.800 -0.184 0.000 2.293 105 Q HA 0.637 5.023 4.340 0.076 0.000 0.261 105 Q C -0.793 174.990 176.000 -0.360 0.000 0.960 105 Q CA -0.501 55.099 55.803 -0.339 0.000 0.882 105 Q CB 1.532 29.986 28.738 -0.473 0.000 1.275 105 Q HN 0.856 nan 8.270 nan 0.000 0.445 106 C N 0.810 119.750 119.300 -0.599 0.000 2.971 106 C HA 0.844 5.350 4.460 0.076 0.000 0.310 106 C C -0.187 174.409 174.990 -0.657 0.000 1.285 106 C CA -0.628 58.009 59.018 -0.635 0.000 1.593 106 C CB 2.364 29.593 27.740 -0.851 0.000 2.076 106 C HN 0.624 nan 8.230 nan 0.000 0.472 107 V N 1.426 121.199 119.914 -0.236 0.000 2.735 107 V HA 0.765 4.931 4.120 0.076 0.000 0.310 107 V C -0.645 175.548 176.094 0.165 0.000 1.061 107 V CA -0.397 61.904 62.300 0.002 0.000 0.913 107 V CB 1.862 33.753 31.823 0.113 0.000 1.005 107 V HN 0.686 nan 8.190 nan 0.000 0.428 108 V N 4.772 124.786 119.914 0.166 0.000 2.876 108 V HA 0.631 4.796 4.120 0.076 0.000 0.312 108 V C -0.433 175.648 176.094 -0.021 0.000 1.085 108 V CA -0.565 61.788 62.300 0.088 0.000 0.945 108 V CB 2.180 33.991 31.823 -0.021 0.000 1.017 108 V HN 0.826 nan 8.190 nan 0.000 0.428 109 M N 2.930 122.454 119.600 -0.126 0.000 2.591 109 M HA 0.706 5.232 4.480 0.076 0.000 0.306 109 M C -1.113 174.967 176.300 -0.368 0.000 1.190 109 M CA -0.168 54.846 55.300 -0.477 0.000 0.889 109 M CB 2.046 34.315 32.600 -0.553 0.000 1.728 109 M HN 0.709 nan 8.290 nan 0.000 0.458 110 S N 1.755 117.138 115.700 -0.528 0.000 2.572 110 S HA 0.421 4.936 4.470 0.076 0.000 0.274 110 S C -0.095 174.249 174.600 -0.427 0.000 1.150 110 S CA -0.466 57.402 58.200 -0.554 0.000 0.944 110 S CB 1.346 63.971 63.200 -0.958 0.000 1.071 110 S HN 0.809 nan 8.310 nan 0.000 0.479 111 E N 2.271 122.327 120.200 -0.241 0.000 2.400 111 E HA 0.014 4.410 4.350 0.076 0.000 0.195 111 E C 0.657 177.342 176.600 0.142 0.000 1.012 111 E CA 0.272 56.656 56.400 -0.026 0.000 0.875 111 E CB 0.134 29.826 29.700 -0.013 0.000 0.859 111 E HN 0.711 nan 8.360 nan 0.000 0.498 112 N N -0.886 117.829 118.700 0.026 0.000 2.143 112 N HA 0.060 4.846 4.740 0.076 0.000 0.222 112 N C 1.154 176.776 175.510 0.187 0.000 1.264 112 N CA 0.635 53.795 53.050 0.183 0.000 0.897 112 N CB 0.846 39.374 38.487 0.067 0.000 1.092 112 N HN 0.098 nan 8.380 nan 0.000 0.516 113 G N 0.272 108.946 108.800 -0.210 0.000 2.162 113 G HA2 -0.257 3.749 3.960 0.076 0.000 0.260 113 G HA3 -0.257 3.749 3.960 0.076 0.000 0.260 113 G C 0.293 175.252 174.900 0.098 0.000 0.976 113 G CA 0.753 45.769 45.100 -0.139 0.000 0.655 113 G HN 0.309 nan 8.290 nan 0.000 0.533 114 L N -0.057 121.097 121.223 -0.116 0.000 2.663 114 L HA 0.413 4.798 4.340 0.076 0.000 0.218 114 L C 0.472 177.325 176.870 -0.028 0.000 1.043 114 L CA 0.768 55.658 54.840 0.082 0.000 0.876 114 L CB 0.104 42.222 42.059 0.098 0.000 1.263 114 L HN 0.194 nan 8.230 nan 0.000 0.486 115 D N -0.394 119.831 120.400 -0.293 0.000 2.278 115 D HA 0.443 5.128 4.640 0.076 0.000 0.245 115 D C -1.096 174.910 176.300 -0.490 0.000 1.052 115 D CA -0.079 53.809 54.000 -0.186 0.000 0.834 115 D CB 1.868 42.619 40.800 -0.083 0.000 1.194 115 D HN -0.191 nan 8.370 nan 0.000 0.481 116 F N 0.743 120.676 119.950 -0.028 0.000 2.507 116 F HA 0.322 4.894 4.527 0.076 0.000 0.325 116 F C 0.315 176.064 175.800 -0.086 0.000 1.116 116 F CA -1.116 56.826 58.000 -0.097 0.000 0.930 116 F CB 1.923 40.842 39.000 -0.137 0.000 1.146 116 F HN 0.035 nan 8.300 nan 0.000 0.447 117 V N 0.030 119.966 119.914 0.036 0.000 2.628 117 V HA 0.653 4.819 4.120 0.076 0.000 0.306 117 V C -0.659 175.448 176.094 0.023 0.000 1.045 117 V CA -1.286 61.021 62.300 0.011 0.000 0.905 117 V CB 1.721 33.532 31.823 -0.020 0.000 0.997 117 V HN 0.676 nan 8.190 nan 0.000 0.436 118 K N 2.811 123.220 120.400 0.015 0.000 2.205 118 K HA 0.400 4.766 4.320 0.076 0.000 0.279 118 K C -0.840 175.801 176.600 0.069 0.000 1.027 118 K CA -0.517 55.787 56.287 0.028 0.000 0.932 118 K CB 1.006 33.486 32.500 -0.034 0.000 1.032 118 K HN 0.782 nan 8.250 nan 0.000 0.466 119 Y N 2.928 123.217 120.300 -0.018 0.000 2.544 119 Y HA -0.083 4.512 4.550 0.076 0.000 0.330 119 Y C 0.700 176.546 175.900 -0.089 0.000 1.136 119 Y CA -0.017 58.059 58.100 -0.039 0.000 1.417 119 Y CB 0.361 38.841 38.460 0.034 0.000 1.229 119 Y HN 0.700 nan 8.280 nan 0.000 0.532 120 D N 3.614 123.674 120.400 -0.567 0.000 2.178 120 D HA -0.115 4.571 4.640 0.076 0.000 0.201 120 D C 1.884 177.767 176.300 -0.696 0.000 0.980 120 D CA 1.697 55.380 54.000 -0.529 0.000 0.842 120 D CB -0.213 40.347 40.800 -0.400 0.000 0.948 120 D HN 0.879 nan 8.370 nan 0.000 0.472 121 G N 0.078 108.035 108.800 -1.405 0.000 3.026 121 G HA2 -0.101 3.905 3.960 0.076 0.000 0.208 121 G HA3 -0.101 3.905 3.960 0.076 0.000 0.208 121 G C 0.619 175.327 174.900 -0.321 0.000 1.169 121 G CA -0.308 44.285 45.100 -0.845 0.000 0.788 121 G HN 0.086 nan 8.290 nan 0.000 0.533 122 N N 1.971 120.529 118.700 -0.236 0.000 2.454 122 N HA 0.196 4.982 4.740 0.076 0.000 0.254 122 N C -2.116 173.339 175.510 -0.093 0.000 1.228 122 N CA -0.761 52.249 53.050 -0.065 0.000 0.900 122 N CB 1.089 39.518 38.487 -0.097 0.000 1.089 122 N HN 0.132 nan 8.380 nan 0.000 0.449 123 P HA 0.111 nan 4.420 nan 0.000 0.278 123 P C 0.796 178.104 177.300 0.014 0.000 1.238 123 P CA -0.420 62.655 63.100 -0.042 0.000 0.794 123 P CB 1.229 32.909 31.700 -0.033 0.000 0.955 124 V N 2.444 122.376 119.914 0.030 0.000 2.548 124 V HA -0.028 4.138 4.120 0.076 0.000 0.249 124 V C 1.009 177.146 176.094 0.071 0.000 1.055 124 V CA 1.298 63.669 62.300 0.120 0.000 1.065 124 V CB -0.284 31.636 31.823 0.161 0.000 0.681 124 V HN 0.420 nan 8.190 nan 0.000 0.462 125 I N -0.309 120.224 120.570 -0.062 0.000 2.468 125 I HA 0.223 4.439 4.170 0.076 0.000 0.285 125 I C 0.950 177.074 176.117 0.013 0.000 1.039 125 I CA 0.091 61.361 61.300 -0.049 0.000 1.074 125 I CB 2.001 39.850 38.000 -0.251 0.000 1.228 125 I HN 0.091 nan 8.210 nan 0.000 0.436 126 S N 4.863 120.590 115.700 0.045 0.000 2.470 126 S HA 0.197 4.712 4.470 0.076 0.000 0.222 126 S C 0.476 175.102 174.600 0.044 0.000 1.024 126 S CA 0.153 58.376 58.200 0.038 0.000 0.931 126 S CB 0.074 63.288 63.200 0.023 0.000 0.791 126 S HN 0.689 nan 8.310 nan 0.000 0.513 127 K N 0.002 120.420 120.400 0.029 0.000 2.555 127 K HA 0.610 4.975 4.320 0.076 0.000 0.279 127 K C -3.604 172.813 176.600 -0.305 0.000 0.986 127 K CA -2.362 53.876 56.287 -0.080 0.000 0.880 127 K CB 0.145 32.588 32.500 -0.096 0.000 1.474 127 K HN -0.158 nan 8.250 nan 0.000 0.433 128 P HA 0.096 nan 4.420 nan 0.000 0.270 128 P C -1.923 175.044 177.300 -0.556 0.000 1.223 128 P CA -1.035 61.419 63.100 -1.076 0.000 0.785 128 P CB 0.063 31.216 31.700 -0.911 0.000 0.923 129 P HA 0.039 nan 4.420 nan 0.000 0.226 129 P C -0.076 176.970 177.300 -0.424 0.000 1.161 129 P CA 1.189 63.937 63.100 -0.586 0.000 0.804 129 P CB 0.728 31.574 31.700 -1.424 0.000 0.829 130 E N -0.445 119.537 120.200 -0.363 0.000 2.359 130 E HA 0.345 4.740 4.350 0.076 0.000 0.266 130 E C -0.797 175.679 176.600 -0.208 0.000 0.920 130 E CA -0.878 55.392 56.400 -0.216 0.000 0.788 130 E CB 1.414 31.030 29.700 -0.140 0.000 1.279 130 E HN -0.127 nan 8.360 nan 0.000 0.438 131 E N -0.289 119.822 120.200 -0.149 0.000 2.373 131 E HA 0.369 4.765 4.350 0.076 0.000 0.263 131 E C 0.601 177.110 176.600 -0.152 0.000 1.073 131 E CA 0.986 57.297 56.400 -0.147 0.000 0.894 131 E CB 0.811 30.453 29.700 -0.097 0.000 1.008 131 E HN 0.727 nan 8.360 nan 0.000 0.420 132 G N 1.989 110.673 108.800 -0.194 0.000 2.143 132 G HA2 -0.275 3.730 3.960 0.076 0.000 0.249 132 G HA3 -0.275 3.730 3.960 0.076 0.000 0.249 132 G C 0.213 174.929 174.900 -0.307 0.000 0.981 132 G CA 0.349 45.329 45.100 -0.199 0.000 0.665 132 G HN 0.492 nan 8.290 nan 0.000 0.528 133 T N 1.999 116.321 114.554 -0.386 0.000 2.794 133 T HA 0.600 4.995 4.350 0.076 0.000 0.296 133 T C -0.042 174.370 174.700 -0.480 0.000 0.949 133 T CA -0.013 61.895 62.100 -0.319 0.000 1.101 133 T CB 1.089 69.775 68.868 -0.303 0.000 0.905 133 T HN 0.367 nan 8.240 nan 0.000 0.516 134 H N 0.611 119.706 119.070 0.042 0.000 2.907 134 H HA 0.561 5.163 4.556 0.076 0.000 0.361 134 H C 0.487 175.898 175.328 0.139 0.000 1.194 134 H CA -0.560 55.534 56.048 0.075 0.000 1.152 134 H CB 1.549 31.338 29.762 0.046 0.000 1.867 134 H HN 0.765 nan 8.280 nan 0.000 0.561 135 A N 1.053 124.055 122.820 0.304 0.000 2.745 135 A HA -0.269 4.096 4.320 0.076 0.000 0.296 135 A C -0.209 177.541 177.584 0.276 0.000 1.500 135 A CA 0.763 52.951 52.037 0.250 0.000 0.766 135 A CB -2.534 16.579 19.000 0.189 0.000 1.030 135 A HN 0.429 nan 8.150 nan 0.000 0.489 136 F N 1.829 121.848 119.950 0.115 0.000 2.566 136 F HA 0.545 5.118 4.527 0.077 0.000 0.349 136 F C 0.828 176.678 175.800 0.082 0.000 1.245 136 F CA 0.241 58.286 58.000 0.077 0.000 1.169 136 F CB -0.239 38.779 39.000 0.029 0.000 1.470 136 F HN 0.670 nan 8.300 nan 0.000 0.634 137 R N 2.625 123.041 120.500 -0.140 0.000 2.741 137 R HA 0.407 4.793 4.340 0.076 0.000 0.274 137 R C -1.628 174.645 176.300 -0.045 0.000 1.029 137 R CA -0.836 55.201 56.100 -0.105 0.000 0.880 137 R CB 0.770 31.154 30.300 0.141 0.000 1.264 137 R HN 0.222 nan 8.270 nan 0.000 0.465 138 D N -0.132 120.278 120.400 0.018 0.000 2.897 138 D HA -0.061 4.624 4.640 0.076 0.000 0.250 138 D C -2.455 173.838 176.300 -0.012 0.000 1.086 138 D CA 0.409 54.441 54.000 0.052 0.000 0.799 138 D CB -0.867 39.978 40.800 0.075 0.000 1.043 138 D HN 0.499 nan 8.370 nan 0.000 0.427 139 P HA 0.087 nan 4.420 nan 0.000 0.271 139 P C -0.017 177.260 177.300 -0.037 0.000 1.233 139 P CA 0.046 63.067 63.100 -0.133 0.000 0.764 139 P CB 0.889 32.428 31.700 -0.268 0.000 0.825 140 K N 3.786 124.186 120.400 0.000 0.000 2.367 140 K HA 0.355 4.721 4.320 0.076 0.000 0.263 140 K C -0.974 175.686 176.600 0.100 0.000 1.000 140 K CA -0.821 55.505 56.287 0.065 0.000 0.891 140 K CB 1.319 33.874 32.500 0.093 0.000 1.117 140 K HN 0.199 nan 8.250 nan 0.000 0.443 141 V N 5.138 125.128 119.914 0.126 0.000 2.435 141 V HA 0.446 4.612 4.120 0.076 0.000 0.290 141 V C 0.102 176.423 176.094 0.377 0.000 1.030 141 V CA -0.917 61.515 62.300 0.219 0.000 0.881 141 V CB 1.573 33.471 31.823 0.125 0.000 0.983 141 V HN 0.876 nan 8.190 nan 0.000 0.445 142 N N 3.649 122.641 118.700 0.486 0.000 2.902 142 N HA 0.486 5.271 4.740 0.076 0.000 0.268 142 N C -1.106 174.720 175.510 0.526 0.000 1.450 142 N CA -1.102 52.307 53.050 0.599 0.000 0.819 142 N CB 1.379 40.104 38.487 0.398 0.000 1.540 142 N HN 0.266 nan 8.380 nan 0.000 0.545 143 R N -0.234 120.469 120.500 0.338 0.000 2.368 143 R HA 0.595 4.980 4.340 0.076 0.000 0.302 143 R C -0.800 175.503 176.300 0.005 0.000 1.002 143 R CA -0.463 55.632 56.100 -0.008 0.000 0.929 143 R CB 0.612 30.817 30.300 -0.158 0.000 1.073 143 R HN 0.734 nan 8.270 nan 0.000 0.464 144 S N 2.751 118.428 115.700 -0.039 0.000 2.626 144 S HA 0.195 4.711 4.470 0.076 0.000 0.275 144 S C -1.019 173.556 174.600 -0.042 0.000 1.175 144 S CA -0.690 57.502 58.200 -0.013 0.000 0.982 144 S CB 0.258 63.483 63.200 0.042 0.000 1.093 144 S HN 0.689 nan 8.310 nan 0.000 0.472 145 N N 3.002 121.674 118.700 -0.047 0.000 2.725 145 N HA -0.173 4.613 4.740 0.076 0.000 0.251 145 N C 0.728 176.196 175.510 -0.071 0.000 1.031 145 N CA 1.577 54.600 53.050 -0.046 0.000 0.720 145 N CB -1.655 36.819 38.487 -0.022 0.000 0.930 145 N HN 1.774 nan 8.380 nan 0.000 0.543 146 G N -0.579 108.154 108.800 -0.112 0.000 2.176 146 G HA2 -0.300 3.706 3.960 0.076 0.000 0.252 146 G HA3 -0.300 3.706 3.960 0.076 0.000 0.252 146 G C -0.235 174.554 174.900 -0.184 0.000 1.024 146 G CA 0.980 45.995 45.100 -0.141 0.000 0.755 146 G HN 0.982 nan 8.290 nan 0.000 0.507 147 E N -1.342 118.720 120.200 -0.231 0.000 2.407 147 E HA 0.510 4.906 4.350 0.076 0.000 0.279 147 E C -1.014 175.443 176.600 -0.238 0.000 1.012 147 E CA -1.452 54.824 56.400 -0.206 0.000 0.800 147 E CB 0.944 30.605 29.700 -0.065 0.000 1.276 147 E HN 0.202 nan 8.360 nan 0.000 0.452 148 W N 2.029 123.307 121.300 -0.036 0.000 2.365 148 W HA 0.496 5.201 4.660 0.076 0.000 0.316 148 W C 0.438 177.052 176.519 0.158 0.000 1.164 148 W CA -0.626 56.738 57.345 0.033 0.000 1.204 148 W CB 1.153 30.556 29.460 -0.095 0.000 1.213 148 W HN 0.167 nan 8.180 nan 0.000 0.539 149 R N 3.151 123.950 120.500 0.498 0.000 2.599 149 R HA 0.568 4.954 4.340 0.076 0.000 0.295 149 R C -0.811 175.760 176.300 0.451 0.000 0.963 149 R CA -1.140 55.224 56.100 0.439 0.000 0.883 149 R CB 2.263 32.727 30.300 0.273 0.000 1.171 149 R HN 0.530 nan 8.270 nan 0.000 0.450 150 M N 3.926 123.769 119.600 0.405 0.000 2.321 150 M HA 0.350 4.875 4.480 0.076 0.000 0.315 150 M C -1.097 175.304 176.300 0.169 0.000 1.052 150 M CA -0.924 54.467 55.300 0.152 0.000 0.936 150 M CB 1.776 34.212 32.600 -0.273 0.000 1.639 150 M HN 0.471 nan 8.290 nan 0.000 0.433 151 V N 3.580 123.566 119.914 0.120 0.000 2.547 151 V HA 0.729 4.895 4.120 0.076 0.000 0.299 151 V C -1.043 175.095 176.094 0.073 0.000 1.040 151 V CA -0.700 61.678 62.300 0.131 0.000 0.913 151 V CB 1.629 33.526 31.823 0.123 0.000 0.992 151 V HN 0.941 nan 8.190 nan 0.000 0.449 152 L N 3.342 124.629 121.223 0.107 0.000 2.381 152 L HA 0.820 5.206 4.340 0.076 0.000 0.268 152 L C 0.828 177.761 176.870 0.105 0.000 0.997 152 L CA -0.464 54.395 54.840 0.033 0.000 0.818 152 L CB 2.211 44.226 42.059 -0.074 0.000 1.310 152 L HN 0.972 nan 8.230 nan 0.000 0.416 153 G N 0.828 109.678 108.800 0.083 0.000 2.539 153 G HA2 0.550 4.555 3.960 0.076 0.000 0.258 153 G HA3 0.550 4.555 3.960 0.076 0.000 0.258 153 G C -0.446 174.557 174.900 0.172 0.000 1.202 153 G CA 0.241 45.420 45.100 0.131 0.000 0.851 153 G HN 0.693 nan 8.290 nan 0.000 0.556 154 S N -0.855 114.957 115.700 0.186 0.000 2.636 154 S HA 0.776 5.292 4.470 0.076 0.000 0.266 154 S C -0.566 174.131 174.600 0.161 0.000 1.147 154 S CA -0.261 58.066 58.200 0.211 0.000 0.815 154 S CB 1.415 64.769 63.200 0.256 0.000 1.119 154 S HN 1.781 nan 8.310 nan 0.000 0.470 155 G N -0.217 108.673 108.800 0.151 0.000 2.638 155 G HA2 0.598 4.604 3.960 0.076 0.000 0.302 155 G HA3 0.598 4.604 3.960 0.076 0.000 0.302 155 G C -1.869 173.086 174.900 0.092 0.000 1.365 155 G CA -0.659 44.513 45.100 0.120 0.000 0.987 155 G HN 0.699 nan 8.290 nan 0.000 0.495 156 K N 1.584 122.022 120.400 0.063 0.000 2.358 156 K HA 0.477 4.843 4.320 0.076 0.000 0.260 156 K C -0.126 176.498 176.600 0.040 0.000 0.956 156 K CA -0.322 55.984 56.287 0.032 0.000 0.834 156 K CB 0.929 33.440 32.500 0.018 0.000 1.102 156 K HN 0.773 nan 8.250 nan 0.000 0.431 157 D N 2.852 123.278 120.400 0.043 0.000 2.811 157 D HA -0.159 4.527 4.640 0.076 0.000 0.231 157 D C -0.180 176.159 176.300 0.065 0.000 1.157 157 D CA 1.431 55.462 54.000 0.052 0.000 0.716 157 D CB -0.719 40.095 40.800 0.023 0.000 1.077 157 D HN 0.868 nan 8.370 nan 0.000 0.428 158 E N -1.931 118.327 120.200 0.097 0.000 2.328 158 E HA -0.291 4.105 4.350 0.076 0.000 0.233 158 E C 1.063 177.688 176.600 0.042 0.000 1.219 158 E CA 1.706 58.146 56.400 0.067 0.000 0.717 158 E CB -1.064 28.661 29.700 0.043 0.000 1.210 158 E HN 0.739 nan 8.360 nan 0.000 0.381 159 K N -0.347 120.078 120.400 0.041 0.000 2.735 159 K HA 0.331 4.697 4.320 0.076 0.000 0.197 159 K C 0.417 177.032 176.600 0.025 0.000 1.468 159 K CA 0.161 56.465 56.287 0.027 0.000 1.109 159 K CB 0.901 33.412 32.500 0.019 0.000 1.732 159 K HN 0.103 nan 8.250 nan 0.000 0.541 160 I N 1.324 121.908 120.570 0.024 0.000 2.533 160 I HA 0.475 4.690 4.170 0.076 0.000 0.290 160 I C -0.862 175.270 176.117 0.025 0.000 1.056 160 I CA -0.946 60.362 61.300 0.012 0.000 1.057 160 I CB 2.014 40.005 38.000 -0.015 0.000 1.240 160 I HN 0.247 nan 8.210 nan 0.000 0.423 161 G N 6.996 115.815 108.800 0.033 0.000 2.390 161 G HA2 0.595 4.601 3.960 0.076 0.000 0.270 161 G HA3 0.595 4.601 3.960 0.076 0.000 0.270 161 G C -0.748 174.162 174.900 0.016 0.000 1.211 161 G CA -0.510 44.625 45.100 0.058 0.000 0.842 161 G HN 0.678 nan 8.290 nan 0.000 0.519 162 R N 0.790 121.321 120.500 0.051 0.000 2.808 162 R HA 0.550 4.935 4.340 0.076 0.000 0.272 162 R C -1.460 174.909 176.300 0.115 0.000 0.995 162 R CA -0.938 55.190 56.100 0.046 0.000 0.917 162 R CB 2.560 32.888 30.300 0.046 0.000 1.217 162 R HN 0.324 nan 8.270 nan 0.000 0.471 163 V N 3.442 123.442 119.914 0.143 0.000 2.370 163 V HA 0.376 4.542 4.120 0.076 0.000 0.283 163 V C -0.071 176.133 176.094 0.183 0.000 1.023 163 V CA -0.672 61.725 62.300 0.162 0.000 0.857 163 V CB 1.332 33.240 31.823 0.142 0.000 0.985 163 V HN 0.454 nan 8.190 nan 0.000 0.443 164 L N 5.307 126.672 121.223 0.237 0.000 2.360 164 L HA 0.656 5.042 4.340 0.076 0.000 0.271 164 L C -0.564 176.473 176.870 0.279 0.000 1.057 164 L CA -0.695 54.330 54.840 0.308 0.000 0.803 164 L CB 1.555 43.919 42.059 0.509 0.000 1.207 164 L HN 0.449 nan 8.230 nan 0.000 0.445 165 L N 2.000 123.322 121.223 0.165 0.000 2.385 165 L HA 0.553 4.939 4.340 0.076 0.000 0.273 165 L C -1.439 175.481 176.870 0.084 0.000 0.990 165 L CA 0.019 54.950 54.840 0.151 0.000 0.821 165 L CB 1.547 43.639 42.059 0.055 0.000 1.279 165 L HN 0.305 nan 8.230 nan 0.000 0.412 166 Y N 1.571 122.003 120.300 0.219 0.000 2.536 166 Y HA 0.751 5.347 4.550 0.076 0.000 0.347 166 Y C 0.218 176.390 175.900 0.452 0.000 1.000 166 Y CA -0.611 57.692 58.100 0.338 0.000 1.051 166 Y CB 2.572 41.245 38.460 0.355 0.000 1.259 166 Y HN 0.670 nan 8.280 nan 0.000 0.468 167 T N -1.458 113.443 114.554 0.577 0.000 2.924 167 T HA 0.787 5.183 4.350 0.076 0.000 0.291 167 T C -0.759 174.057 174.700 0.193 0.000 1.045 167 T CA -0.945 61.397 62.100 0.402 0.000 1.015 167 T CB 1.892 70.879 68.868 0.199 0.000 1.103 167 T HN 0.564 nan 8.240 nan 0.000 0.496 168 S N -0.557 115.076 115.700 -0.111 0.000 2.535 168 S HA 0.361 4.876 4.470 0.076 0.000 0.272 168 S C -0.665 173.832 174.600 -0.172 0.000 1.149 168 S CA -0.672 57.256 58.200 -0.453 0.000 0.888 168 S CB 1.614 63.837 63.200 -1.629 0.000 1.110 168 S HN 0.721 nan 8.310 nan 0.000 0.463 169 D N 1.764 122.086 120.400 -0.131 0.000 2.348 169 D HA 0.084 4.770 4.640 0.076 0.000 0.211 169 D C 0.507 176.829 176.300 0.036 0.000 0.998 169 D CA 0.688 54.672 54.000 -0.028 0.000 0.873 169 D CB 0.281 41.052 40.800 -0.048 0.000 0.925 169 D HN 0.766 nan 8.370 nan 0.000 0.524 170 D N -0.922 119.409 120.400 -0.115 0.000 2.497 170 D HA 0.019 4.705 4.640 0.076 0.000 0.256 170 D C 1.188 177.029 176.300 -0.766 0.000 1.273 170 D CA -0.395 53.478 54.000 -0.212 0.000 0.812 170 D CB 0.222 41.005 40.800 -0.028 0.000 1.190 170 D HN -0.108 nan 8.370 nan 0.000 0.524 171 L N -1.290 119.333 121.223 -0.999 0.000 4.892 171 L HA -0.259 4.127 4.340 0.076 0.000 0.403 171 L C 0.170 176.469 176.870 -0.953 0.000 0.913 171 L CA 1.168 55.268 54.840 -1.234 0.000 1.653 171 L CB -1.502 39.597 42.059 -1.599 0.000 1.780 171 L HN 0.185 nan 8.230 nan 0.000 0.597 172 F N -1.833 117.871 119.950 -0.408 0.000 2.637 172 F HA 0.326 4.899 4.527 0.077 0.000 0.284 172 F C 1.373 177.038 175.800 -0.226 0.000 1.105 172 F CA -0.082 57.770 58.000 -0.248 0.000 1.356 172 F CB 0.074 38.893 39.000 -0.301 0.000 1.096 172 F HN 0.075 nan 8.300 nan 0.000 0.616 173 H N -0.887 118.099 119.070 -0.140 0.000 2.551 173 H HA 0.216 4.818 4.556 0.076 0.000 0.321 173 H C -1.327 173.854 175.328 -0.245 0.000 1.028 173 H CA -0.802 55.219 56.048 -0.044 0.000 1.215 173 H CB 0.648 30.415 29.762 0.007 0.000 1.414 173 H HN 0.039 nan 8.280 nan 0.000 0.480 174 W N 2.393 123.813 121.300 0.200 0.000 2.689 174 W HA 0.385 5.091 4.660 0.076 0.000 0.340 174 W C 0.060 176.767 176.519 0.314 0.000 1.060 174 W CA -0.838 56.647 57.345 0.235 0.000 1.218 174 W CB 1.752 31.320 29.460 0.181 0.000 1.410 174 W HN 0.343 nan 8.180 nan 0.000 0.528 175 K N 2.674 123.399 120.400 0.542 0.000 2.323 175 K HA 0.272 4.637 4.320 0.076 0.000 0.259 175 K C -1.303 175.491 176.600 0.323 0.000 0.947 175 K CA -0.894 55.618 56.287 0.374 0.000 0.819 175 K CB 1.148 33.773 32.500 0.209 0.000 1.109 175 K HN 0.507 nan 8.250 nan 0.000 0.429 176 Y N 3.368 123.675 120.300 0.012 0.000 2.442 176 Y HA 0.045 4.641 4.550 0.076 0.000 0.330 176 Y C 0.209 175.982 175.900 -0.211 0.000 1.129 176 Y CA 0.442 58.282 58.100 -0.434 0.000 1.365 176 Y CB 0.980 39.221 38.460 -0.365 0.000 1.233 176 Y HN 0.697 nan 8.280 nan 0.000 0.529 177 E N 4.212 123.954 120.200 -0.762 0.000 2.583 177 E HA 0.291 4.687 4.350 0.076 0.000 0.213 177 E C 0.668 176.851 176.600 -0.694 0.000 0.989 177 E CA 0.497 56.579 56.400 -0.529 0.000 0.991 177 E CB 0.296 29.865 29.700 -0.217 0.000 1.040 177 E HN 0.946 nan 8.360 nan 0.000 0.481 178 G N 1.477 109.418 108.800 -1.431 0.000 2.655 178 G HA2 -0.061 3.945 3.960 0.076 0.000 0.680 178 G HA3 -0.061 3.945 3.960 0.076 0.000 0.680 178 G C -0.556 174.165 174.900 -0.300 0.000 1.302 178 G CA -0.561 44.042 45.100 -0.829 0.000 0.872 178 G HN 0.290 nan 8.290 nan 0.000 0.540 179 A N -0.047 122.752 122.820 -0.036 0.000 2.310 179 A HA 0.616 4.982 4.320 0.076 0.000 0.300 179 A C 1.656 179.258 177.584 0.030 0.000 1.269 179 A CA 0.252 52.323 52.037 0.057 0.000 0.909 179 A CB -0.336 18.713 19.000 0.082 0.000 1.144 179 A HN 1.925 nan 8.150 nan 0.000 0.540 180 I N 0.280 120.888 120.570 0.063 0.000 2.928 180 I HA 0.370 4.585 4.170 0.076 0.000 0.266 180 I C 0.164 176.389 176.117 0.180 0.000 1.234 180 I CA 0.606 61.959 61.300 0.089 0.000 1.483 180 I CB -0.015 38.038 38.000 0.088 0.000 1.097 180 I HN 0.448 nan 8.210 nan 0.000 0.455 181 F N 2.035 121.970 119.950 -0.025 0.000 2.665 181 F HA 0.500 5.073 4.527 0.077 0.000 0.308 181 F C -1.599 174.160 175.800 -0.070 0.000 1.112 181 F CA -0.804 57.163 58.000 -0.054 0.000 0.972 181 F CB 1.536 40.479 39.000 -0.094 0.000 1.295 181 F HN 0.243 nan 8.300 nan 0.000 0.440 182 E N 2.775 122.359 120.200 -1.026 0.000 2.383 182 E HA 0.424 4.820 4.350 0.076 0.000 0.275 182 E C -2.281 173.718 176.600 -1.002 0.000 0.918 182 E CA -1.031 54.924 56.400 -0.741 0.000 0.764 182 E CB 2.677 32.178 29.700 -0.333 0.000 1.252 182 E HN 0.403 nan 8.360 nan 0.000 0.449 183 D N 1.579 121.706 120.400 -0.455 0.000 2.473 183 D HA 0.047 4.732 4.640 0.076 0.000 0.253 183 D C 0.043 176.308 176.300 -0.059 0.000 1.233 183 D CA -0.420 53.466 54.000 -0.190 0.000 0.908 183 D CB 1.567 42.428 40.800 0.101 0.000 1.170 183 D HN 0.716 nan 8.370 nan 0.000 0.558 184 E N 0.901 121.068 120.200 -0.055 0.000 2.482 184 E HA -0.098 4.298 4.350 0.076 0.000 0.196 184 E C 0.962 177.573 176.600 0.018 0.000 1.047 184 E CA 0.592 56.980 56.400 -0.021 0.000 0.869 184 E CB -0.094 29.588 29.700 -0.030 0.000 0.836 184 E HN 0.328 nan 8.360 nan 0.000 0.520 185 T N -2.454 112.127 114.554 0.046 0.000 3.148 185 T HA 0.009 4.405 4.350 0.076 0.000 0.253 185 T C 0.674 175.420 174.700 0.077 0.000 1.134 185 T CA 0.530 62.667 62.100 0.062 0.000 1.051 185 T CB 0.389 69.303 68.868 0.078 0.000 0.959 185 T HN 0.091 nan 8.240 nan 0.000 0.525 186 T N -0.340 114.265 114.554 0.084 0.000 2.896 186 T HA 0.460 4.856 4.350 0.076 0.000 0.297 186 T C 0.211 174.956 174.700 0.074 0.000 1.108 186 T CA -0.866 61.291 62.100 0.095 0.000 1.004 186 T CB 1.978 70.935 68.868 0.149 0.000 1.159 186 T HN 0.030 nan 8.240 nan 0.000 0.499 187 K N 0.632 121.074 120.400 0.071 0.000 2.262 187 K HA 0.178 4.544 4.320 0.076 0.000 0.200 187 K C 0.640 177.289 176.600 0.082 0.000 1.049 187 K CA 0.460 56.785 56.287 0.062 0.000 0.979 187 K CB 0.273 32.802 32.500 0.048 0.000 0.773 187 K HN 0.723 nan 8.250 nan 0.000 0.474 188 E N 0.281 120.542 120.200 0.102 0.000 2.393 188 E HA 0.412 4.807 4.350 0.076 0.000 0.273 188 E C -1.165 175.534 176.600 0.165 0.000 0.918 188 E CA -0.795 55.681 56.400 0.126 0.000 0.773 188 E CB 1.722 31.493 29.700 0.119 0.000 1.275 188 E HN -0.104 nan 8.360 nan 0.000 0.451 189 I N 1.917 122.593 120.570 0.176 0.000 2.406 189 I HA 0.307 4.522 4.170 0.076 0.000 0.290 189 I C -0.895 175.342 176.117 0.200 0.000 0.999 189 I CA -0.919 60.517 61.300 0.227 0.000 1.124 189 I CB 1.676 39.795 38.000 0.198 0.000 1.289 189 I HN 0.484 nan 8.210 nan 0.000 0.441 190 D N 4.108 124.631 120.400 0.206 0.000 2.268 190 D HA 0.266 4.952 4.640 0.076 0.000 0.249 190 D C 0.068 176.431 176.300 0.104 0.000 1.008 190 D CA -0.262 53.826 54.000 0.147 0.000 0.939 190 D CB 1.670 42.564 40.800 0.156 0.000 1.170 190 D HN 0.636 nan 8.370 nan 0.000 0.468 191 C N 1.284 120.628 119.300 0.074 0.000 3.727 191 C HA -0.105 4.401 4.460 0.076 0.000 0.293 191 C C -2.071 172.963 174.990 0.073 0.000 1.339 191 C CA -1.145 57.897 59.018 0.038 0.000 2.150 191 C CB -2.656 25.056 27.740 -0.046 0.000 1.383 191 C HN 0.444 nan 8.230 nan 0.000 0.614 192 P HA 0.478 nan 4.420 nan 0.000 0.274 192 P C -0.422 176.943 177.300 0.108 0.000 1.237 192 P CA 0.698 63.879 63.100 0.136 0.000 0.793 192 P CB 0.943 32.715 31.700 0.121 0.000 0.977 193 D N 1.449 121.919 120.400 0.118 0.000 2.613 193 D HA 0.255 4.941 4.640 0.076 0.000 0.230 193 D C -1.713 174.654 176.300 0.111 0.000 1.365 193 D CA -0.418 53.650 54.000 0.113 0.000 0.976 193 D CB 0.788 41.653 40.800 0.108 0.000 1.415 193 D HN 0.058 nan 8.370 nan 0.000 0.589 194 L N 5.362 126.653 121.223 0.114 0.000 2.262 194 L HA 0.615 5.001 4.340 0.076 0.000 0.288 194 L C -0.799 176.136 176.870 0.108 0.000 1.035 194 L CA -0.514 54.387 54.840 0.101 0.000 0.820 194 L CB 0.950 43.069 42.059 0.101 0.000 1.204 194 L HN 0.254 nan 8.230 nan 0.000 0.424 195 V N 2.791 122.759 119.914 0.090 0.000 3.046 195 V HA 0.714 4.880 4.120 0.076 0.000 0.316 195 V C -0.582 175.548 176.094 0.060 0.000 1.104 195 V CA -1.055 61.295 62.300 0.083 0.000 1.006 195 V CB 1.925 33.797 31.823 0.082 0.000 1.058 195 V HN 0.826 nan 8.190 nan 0.000 0.440 196 R N 1.748 122.277 120.500 0.049 0.000 2.393 196 R HA 0.765 5.151 4.340 0.076 0.000 0.315 196 R C -1.448 174.868 176.300 0.027 0.000 0.952 196 R CA -0.631 55.490 56.100 0.035 0.000 0.842 196 R CB 1.358 31.676 30.300 0.030 0.000 1.163 196 R HN 0.898 nan 8.270 nan 0.000 0.450 197 I N 4.088 124.671 120.570 0.021 0.000 2.476 197 I HA 0.297 4.513 4.170 0.076 0.000 0.281 197 I C 0.265 176.392 176.117 0.016 0.000 1.040 197 I CA -0.845 60.466 61.300 0.018 0.000 1.094 197 I CB 1.999 40.005 38.000 0.010 0.000 1.219 197 I HN 0.929 nan 8.210 nan 0.000 0.450 198 G N 4.693 113.504 108.800 0.018 0.000 2.274 198 G HA2 -0.241 3.765 3.960 0.076 0.000 0.251 198 G HA3 -0.241 3.765 3.960 0.076 0.000 0.251 198 G C 0.457 175.367 174.900 0.016 0.000 0.836 198 G CA 0.556 45.666 45.100 0.017 0.000 1.246 198 G HN 0.931 nan 8.290 nan 0.000 0.355 199 E N -1.584 118.626 120.200 0.015 0.000 3.680 199 E HA -0.234 4.162 4.350 0.076 0.000 0.309 199 E C 0.814 177.427 176.600 0.022 0.000 0.793 199 E CA 2.059 58.469 56.400 0.017 0.000 1.083 199 E CB -0.511 29.198 29.700 0.016 0.000 1.548 199 E HN 0.750 nan 8.360 nan 0.000 0.456 200 K N 1.049 121.462 120.400 0.023 0.000 2.324 200 K HA 0.292 4.657 4.320 0.076 0.000 0.253 200 K C -0.870 175.749 176.600 0.032 0.000 0.932 200 K CA -0.679 55.625 56.287 0.029 0.000 0.799 200 K CB 1.533 34.049 32.500 0.026 0.000 1.154 200 K HN -0.069 nan 8.250 nan 0.000 0.425 201 D N 3.093 123.516 120.400 0.039 0.000 2.295 201 D HA 0.298 4.984 4.640 0.076 0.000 0.248 201 D C -0.093 176.237 176.300 0.049 0.000 1.154 201 D CA -0.161 53.865 54.000 0.044 0.000 0.857 201 D CB 1.137 41.964 40.800 0.045 0.000 1.117 201 D HN 0.288 nan 8.370 nan 0.000 0.468 202 I N 2.451 123.051 120.570 0.049 0.000 2.389 202 I HA 0.203 4.419 4.170 0.076 0.000 0.288 202 I C -0.218 175.938 176.117 0.065 0.000 0.999 202 I CA -0.535 60.803 61.300 0.063 0.000 1.129 202 I CB 2.210 40.229 38.000 0.032 0.000 1.288 202 I HN 0.127 nan 8.210 nan 0.000 0.444 203 L N 7.588 128.845 121.223 0.057 0.000 2.262 203 L HA 0.565 4.951 4.340 0.076 0.000 0.288 203 L C -0.660 176.305 176.870 0.159 0.000 1.035 203 L CA -0.524 54.340 54.840 0.039 0.000 0.820 203 L CB 0.769 42.736 42.059 -0.153 0.000 1.204 203 L HN 0.557 nan 8.230 nan 0.000 0.424 204 I N 5.782 126.455 120.570 0.172 0.000 2.385 204 I HA 0.364 4.580 4.170 0.076 0.000 0.294 204 I C -0.684 175.584 176.117 0.251 0.000 0.988 204 I CA -0.408 61.003 61.300 0.184 0.000 1.265 204 I CB 1.185 39.260 38.000 0.125 0.000 1.388 204 I HN 0.502 nan 8.210 nan 0.000 0.480 205 Y N 2.065 122.384 120.300 0.032 0.000 2.656 205 Y HA 0.693 5.289 4.550 0.077 0.000 0.334 205 Y C -1.203 174.705 175.900 0.014 0.000 1.179 205 Y CA -1.086 57.027 58.100 0.022 0.000 1.050 205 Y CB 1.016 39.503 38.460 0.046 0.000 1.308 205 Y HN 0.356 nan 8.280 nan 0.000 0.456 206 S N 1.764 117.493 115.700 0.047 0.000 2.532 206 S HA 0.727 5.243 4.470 0.076 0.000 0.301 206 S C -1.006 173.702 174.600 0.180 0.000 1.083 206 S CA -0.747 57.396 58.200 -0.095 0.000 1.025 206 S CB 1.281 64.144 63.200 -0.562 0.000 1.056 206 S HN 0.555 nan 8.310 nan 0.000 0.494 207 I N 1.556 122.291 120.570 0.273 0.000 2.418 207 I HA 0.244 4.459 4.170 0.076 0.000 0.287 207 I C 1.203 177.573 176.117 0.422 0.000 1.008 207 I CA -0.315 61.184 61.300 0.331 0.000 1.104 207 I CB 2.043 40.193 38.000 0.251 0.000 1.264 207 I HN 0.636 nan 8.210 nan 0.000 0.438 208 T N 2.333 117.094 114.554 0.345 0.000 2.904 208 T HA -0.113 4.283 4.350 0.076 0.000 0.267 208 T C 1.857 176.609 174.700 0.087 0.000 1.059 208 T CA 2.069 64.294 62.100 0.208 0.000 1.137 208 T CB 0.115 69.038 68.868 0.092 0.000 0.879 208 T HN 0.761 nan 8.240 nan 0.000 0.467 209 S N 0.253 116.011 115.700 0.098 0.000 2.481 209 S HA -0.041 4.475 4.470 0.076 0.000 0.231 209 S C 1.873 176.512 174.600 0.067 0.000 0.996 209 S CA 1.312 59.549 58.200 0.061 0.000 0.942 209 S CB -0.470 62.766 63.200 0.059 0.000 0.768 209 S HN 0.671 nan 8.310 nan 0.000 0.520 210 T N -1.888 112.725 114.554 0.098 0.000 3.043 210 T HA 0.284 4.679 4.350 0.076 0.000 0.272 210 T C 0.467 175.230 174.700 0.106 0.000 0.990 210 T CA -0.001 62.153 62.100 0.090 0.000 0.897 210 T CB -0.565 68.358 68.868 0.092 0.000 1.111 210 T HN 0.388 nan 8.240 nan 0.000 0.529 211 N N 1.351 120.129 118.700 0.128 0.000 2.714 211 N HA -0.162 4.624 4.740 0.076 0.000 0.253 211 N C -1.214 174.485 175.510 0.316 0.000 1.024 211 N CA 0.716 53.842 53.050 0.127 0.000 0.726 211 N CB -1.145 37.321 38.487 -0.034 0.000 0.908 211 N HN 0.589 nan 8.380 nan 0.000 0.542 212 S N -0.144 115.767 115.700 0.352 0.000 2.536 212 S HA 0.574 5.090 4.470 0.076 0.000 0.298 212 S C 0.029 174.721 174.600 0.153 0.000 1.083 212 S CA -0.718 57.615 58.200 0.221 0.000 0.995 212 S CB 2.891 66.157 63.200 0.110 0.000 1.058 212 S HN 0.142 nan 8.310 nan 0.000 0.488 213 V N 3.587 123.566 119.914 0.108 0.000 2.350 213 V HA 0.420 4.585 4.120 0.076 0.000 0.276 213 V C -0.588 175.459 176.094 -0.079 0.000 1.028 213 V CA -0.496 61.806 62.300 0.004 0.000 0.860 213 V CB 0.496 32.427 31.823 0.179 0.000 0.990 213 V HN 0.617 nan 8.190 nan 0.000 0.453 214 L N 5.403 126.429 121.223 -0.329 0.000 2.331 214 L HA 0.760 5.146 4.340 0.076 0.000 0.268 214 L C -0.365 176.347 176.870 -0.262 0.000 1.015 214 L CA -0.297 54.308 54.840 -0.392 0.000 0.807 214 L CB 1.508 43.182 42.059 -0.643 0.000 1.293 214 L HN 0.674 nan 8.230 nan 0.000 0.451 215 F N -2.181 117.655 119.950 -0.189 0.000 2.599 215 F HA 0.849 5.421 4.527 0.076 0.000 0.311 215 F C -0.632 175.183 175.800 0.025 0.000 1.076 215 F CA -0.827 57.137 58.000 -0.060 0.000 0.937 215 F CB 1.832 40.805 39.000 -0.045 0.000 1.282 215 F HN 0.217 nan 8.300 nan 0.000 0.460 216 S N 3.654 119.443 115.700 0.150 0.000 2.605 216 S HA 0.606 5.122 4.470 0.076 0.000 0.308 216 S C -1.001 173.699 174.600 0.166 0.000 1.113 216 S CA -0.648 57.583 58.200 0.051 0.000 1.049 216 S CB 1.420 64.525 63.200 -0.158 0.000 1.001 216 S HN 0.858 nan 8.310 nan 0.000 0.480 217 M N 3.685 123.423 119.600 0.230 0.000 2.436 217 M HA 0.780 5.305 4.480 0.076 0.000 0.331 217 M C 0.149 176.520 176.300 0.118 0.000 1.135 217 M CA 0.149 55.559 55.300 0.184 0.000 0.987 217 M CB 1.241 33.977 32.600 0.228 0.000 1.687 217 M HN 0.832 nan 8.290 nan 0.000 0.445 218 G N 2.561 111.412 108.800 0.085 0.000 2.593 218 G HA2 0.257 4.263 3.960 0.076 0.000 0.103 218 G HA3 0.257 4.263 3.960 0.076 0.000 0.103 218 G C -1.900 173.034 174.900 0.057 0.000 1.103 218 G CA -0.582 44.560 45.100 0.072 0.000 1.109 218 G HN 0.539 nan 8.290 nan 0.000 0.516 219 E N 0.261 120.494 120.200 0.055 0.000 2.263 219 E HA 0.432 4.828 4.350 0.076 0.000 0.268 219 E C -0.992 175.637 176.600 0.048 0.000 0.884 219 E CA -0.558 55.870 56.400 0.046 0.000 0.766 219 E CB 2.550 32.273 29.700 0.039 0.000 1.196 219 E HN 0.427 nan 8.360 nan 0.000 0.416 220 L N 2.883 124.133 121.223 0.045 0.000 2.433 220 L HA 0.172 4.558 4.340 0.076 0.000 0.275 220 L C 0.190 177.080 176.870 0.034 0.000 1.128 220 L CA 0.662 55.528 54.840 0.043 0.000 0.875 220 L CB 0.227 42.312 42.059 0.043 0.000 1.171 220 L HN 0.168 nan 8.230 nan 0.000 0.463 221 K N 4.495 124.914 120.400 0.032 0.000 2.565 221 K HA 0.225 4.591 4.320 0.076 0.000 0.249 221 K C -0.657 175.954 176.600 0.018 0.000 0.958 221 K CA -0.670 55.631 56.287 0.023 0.000 0.806 221 K CB 1.802 34.317 32.500 0.024 0.000 1.194 221 K HN 0.511 nan 8.250 nan 0.000 0.434 222 E N 0.916 121.122 120.200 0.010 0.000 2.320 222 E HA -0.252 4.144 4.350 0.076 0.000 0.234 222 E C 0.389 176.986 176.600 -0.004 0.000 1.183 222 E CA 0.625 57.027 56.400 0.002 0.000 0.713 222 E CB -1.425 28.277 29.700 0.003 0.000 1.226 222 E HN 1.182 nan 8.360 nan 0.000 0.382 223 G N -0.013 108.784 108.800 -0.006 0.000 2.153 223 G HA2 -0.335 3.671 3.960 0.076 0.000 0.252 223 G HA3 -0.335 3.671 3.960 0.076 0.000 0.252 223 G C -0.037 174.862 174.900 -0.001 0.000 0.994 223 G CA 0.877 45.966 45.100 -0.019 0.000 0.698 223 G HN 0.149 nan 8.290 nan 0.000 0.521 224 K N -0.570 119.843 120.400 0.021 0.000 2.482 224 K HA 0.472 4.838 4.320 0.076 0.000 0.251 224 K C -0.718 175.923 176.600 0.068 0.000 0.936 224 K CA -1.143 55.170 56.287 0.045 0.000 0.791 224 K CB 2.253 34.773 32.500 0.033 0.000 1.213 224 K HN 0.203 nan 8.250 nan 0.000 0.428 225 L N 3.455 124.744 121.223 0.110 0.000 2.407 225 L HA 0.149 4.535 4.340 0.076 0.000 0.282 225 L C 0.027 176.974 176.870 0.129 0.000 1.110 225 L CA 0.272 55.185 54.840 0.121 0.000 0.863 225 L CB -0.196 41.950 42.059 0.146 0.000 1.207 225 L HN 0.401 nan 8.230 nan 0.000 0.454 226 N N 4.466 123.221 118.700 0.090 0.000 2.402 226 N HA 0.092 4.878 4.740 0.076 0.000 0.252 226 N C -0.993 174.572 175.510 0.092 0.000 1.118 226 N CA -0.177 52.923 53.050 0.083 0.000 0.945 226 N CB 0.869 39.392 38.487 0.058 0.000 1.147 226 N HN 0.377 nan 8.380 nan 0.000 0.495 227 V N 3.959 123.940 119.914 0.113 0.000 2.455 227 V HA 0.078 4.244 4.120 0.076 0.000 0.273 227 V C 1.280 177.427 176.094 0.090 0.000 1.045 227 V CA -0.008 62.363 62.300 0.118 0.000 0.976 227 V CB 1.255 33.177 31.823 0.164 0.000 0.993 227 V HN 0.637 nan 8.190 nan 0.000 0.475 228 E N 3.001 123.252 120.200 0.085 0.000 2.127 228 E HA 0.160 4.556 4.350 0.076 0.000 0.191 228 E C 0.153 176.800 176.600 0.078 0.000 0.964 228 E CA 0.532 56.977 56.400 0.075 0.000 0.832 228 E CB 0.426 30.168 29.700 0.071 0.000 0.790 228 E HN 0.587 nan 8.360 nan 0.000 0.465 229 K N 0.466 120.925 120.400 0.098 0.000 2.477 229 K HA 0.551 4.917 4.320 0.076 0.000 0.255 229 K C -0.796 175.827 176.600 0.038 0.000 0.952 229 K CA -0.605 55.741 56.287 0.098 0.000 0.826 229 K CB 2.769 35.367 32.500 0.165 0.000 1.331 229 K HN -0.147 nan 8.250 nan 0.000 0.437 230 R N -0.321 120.117 120.500 -0.103 0.000 2.837 230 R HA 0.747 5.133 4.340 0.076 0.000 0.271 230 R C -0.526 175.352 176.300 -0.703 0.000 0.993 230 R CA -0.804 55.057 56.100 -0.398 0.000 0.931 230 R CB 2.290 32.494 30.300 -0.160 0.000 1.206 230 R HN 0.863 nan 8.270 nan 0.000 0.474 231 G N 0.588 108.668 108.800 -1.200 0.000 2.341 231 G HA2 0.340 4.346 3.960 0.076 0.000 0.299 231 G HA3 0.340 4.346 3.960 0.076 0.000 0.299 231 G C -1.972 172.619 174.900 -0.515 0.000 1.274 231 G CA -0.877 43.764 45.100 -0.764 0.000 0.853 231 G HN 0.288 nan 8.290 nan 0.000 0.493 232 L N 0.744 121.900 121.223 -0.111 0.000 2.325 232 L HA 0.487 4.873 4.340 0.076 0.000 0.278 232 L C 1.293 178.185 176.870 0.037 0.000 1.023 232 L CA -0.869 53.929 54.840 -0.069 0.000 0.811 232 L CB 2.089 44.053 42.059 -0.157 0.000 1.249 232 L HN 0.425 nan 8.230 nan 0.000 0.431 233 L N 0.720 121.965 121.223 0.036 0.000 2.313 233 L HA 0.112 4.497 4.340 0.076 0.000 0.214 233 L C 0.130 176.797 176.870 -0.340 0.000 1.119 233 L CA 1.164 55.966 54.840 -0.063 0.000 0.809 233 L CB 0.091 42.182 42.059 0.053 0.000 0.933 233 L HN 0.711 nan 8.230 nan 0.000 0.449 234 D N -2.368 117.786 120.400 -0.410 0.000 2.837 234 D HA 0.124 4.809 4.640 0.076 0.000 0.220 234 D C -0.389 175.599 176.300 -0.520 0.000 1.236 234 D CA -0.435 53.221 54.000 -0.573 0.000 0.838 234 D CB 1.297 41.654 40.800 -0.739 0.000 1.647 234 D HN 0.035 nan 8.370 nan 0.000 0.486 235 H N 0.755 119.452 119.070 -0.621 0.000 2.586 235 H HA 0.294 4.895 4.556 0.074 0.000 0.273 235 H C 1.161 176.157 175.328 -0.553 0.000 0.997 235 H CA -0.247 55.345 56.048 -0.760 0.000 1.177 235 H CB 1.316 30.121 29.762 -1.595 0.000 1.471 235 H HN 0.322 nan 8.280 nan 0.000 0.538 236 G N -0.228 108.326 108.800 -0.411 0.000 2.531 236 G HA2 0.101 4.107 3.960 0.076 0.000 0.281 236 G HA3 0.101 4.107 3.960 0.076 0.000 0.281 236 G C 1.193 175.904 174.900 -0.314 0.000 1.382 236 G CA 0.168 44.901 45.100 -0.611 0.000 1.045 236 G HN 0.292 nan 8.290 nan 0.000 0.533 237 T N -3.238 111.116 114.554 -0.333 0.000 3.051 237 T HA 0.146 4.541 4.350 0.076 0.000 0.255 237 T C 0.172 174.858 174.700 -0.024 0.000 1.085 237 T CA 0.812 62.898 62.100 -0.024 0.000 1.109 237 T CB 0.191 69.159 68.868 0.167 0.000 0.921 237 T HN 0.283 nan 8.240 nan 0.000 0.488 238 D N 0.594 120.946 120.400 -0.081 0.000 2.502 238 D HA 0.474 5.160 4.640 0.076 0.000 0.301 238 D C -1.690 174.613 176.300 0.005 0.000 1.202 238 D CA -0.376 53.577 54.000 -0.078 0.000 0.878 238 D CB 0.413 41.145 40.800 -0.114 0.000 1.062 238 D HN 0.308 nan 8.370 nan 0.000 0.499 239 F N 2.439 122.337 119.950 -0.086 0.000 2.730 239 F HA 0.487 5.062 4.527 0.079 0.000 0.335 239 F C -2.043 173.842 175.800 0.140 0.000 1.212 239 F CA -0.818 57.173 58.000 -0.016 0.000 1.016 239 F CB 0.957 39.921 39.000 -0.060 0.000 1.290 239 F HN 0.017 nan 8.300 nan 0.000 0.495 240 Y N 4.048 124.127 120.300 -0.369 0.000 2.597 240 Y HA 0.553 5.148 4.550 0.076 0.000 0.340 240 Y C 0.099 175.926 175.900 -0.122 0.000 1.097 240 Y CA -0.658 57.377 58.100 -0.109 0.000 1.037 240 Y CB 2.289 40.826 38.460 0.129 0.000 1.305 240 Y HN 0.942 nan 8.280 nan 0.000 0.463 241 A N 1.758 124.159 122.820 -0.699 0.000 2.791 241 A HA 0.020 4.386 4.320 0.076 0.000 0.292 241 A C 0.265 177.699 177.584 -0.251 0.000 1.487 241 A CA 0.803 52.611 52.037 -0.382 0.000 0.760 241 A CB -2.115 16.848 19.000 -0.061 0.000 1.031 241 A HN 1.757 nan 8.150 nan 0.000 0.503 242 A N -0.690 121.951 122.820 -0.299 0.000 2.531 242 A HA 0.498 4.863 4.320 0.076 0.000 0.236 242 A C 0.415 177.965 177.584 -0.058 0.000 1.062 242 A CA 1.263 53.193 52.037 -0.178 0.000 0.760 242 A CB 0.242 19.228 19.000 -0.023 0.000 0.995 242 A HN 1.308 nan 8.150 nan 0.000 0.501 243 Q N 0.091 119.880 119.800 -0.019 0.000 2.416 243 Q HA 0.569 4.954 4.340 0.076 0.000 0.281 243 Q C -0.531 175.502 176.000 0.055 0.000 1.067 243 Q CA -0.516 55.291 55.803 0.006 0.000 0.809 243 Q CB 2.002 30.709 28.738 -0.051 0.000 1.418 243 Q HN 0.898 nan 8.270 nan 0.000 0.411 244 T N -0.947 113.666 114.554 0.098 0.000 2.945 244 T HA 0.581 4.977 4.350 0.076 0.000 0.286 244 T C -0.332 174.482 174.700 0.189 0.000 1.025 244 T CA -0.504 61.708 62.100 0.187 0.000 1.039 244 T CB 0.514 69.501 68.868 0.198 0.000 1.068 244 T HN 0.314 nan 8.240 nan 0.000 0.497 245 F N 1.323 121.407 119.950 0.224 0.000 2.443 245 F HA 0.437 5.010 4.527 0.076 0.000 0.353 245 F C 0.386 176.378 175.800 0.320 0.000 1.101 245 F CA -1.000 57.183 58.000 0.305 0.000 1.226 245 F CB 0.453 39.660 39.000 0.344 0.000 1.140 245 F HN 0.595 nan 8.300 nan 0.000 0.557 246 F N 1.762 121.946 119.950 0.389 0.000 2.399 246 F HA 0.481 5.054 4.527 0.077 0.000 0.342 246 F C 0.948 176.996 175.800 0.414 0.000 1.106 246 F CA 0.374 58.586 58.000 0.353 0.000 1.196 246 F CB 1.016 40.205 39.000 0.314 0.000 1.163 246 F HN 0.662 nan 8.300 nan 0.000 0.547 247 G N 2.483 111.149 108.800 -0.223 0.000 2.132 247 G HA2 -0.188 3.818 3.960 0.076 0.000 0.234 247 G HA3 -0.188 3.818 3.960 0.076 0.000 0.234 247 G C -0.118 174.871 174.900 0.149 0.000 0.989 247 G CA 0.176 45.298 45.100 0.036 0.000 0.676 247 G HN 1.125 nan 8.290 nan 0.000 0.522 248 T N -3.461 111.130 114.554 0.062 0.000 2.930 248 T HA 0.677 5.073 4.350 0.076 0.000 0.290 248 T C 0.630 175.305 174.700 -0.043 0.000 1.052 248 T CA 0.101 62.189 62.100 -0.019 0.000 1.017 248 T CB 2.289 71.156 68.868 -0.000 0.000 1.137 248 T HN -0.161 nan 8.240 nan 0.000 0.511 249 D N 0.591 120.946 120.400 -0.075 0.000 2.091 249 D HA 0.026 4.711 4.640 0.076 0.000 0.199 249 D C 0.905 177.182 176.300 -0.038 0.000 0.980 249 D CA 1.061 55.026 54.000 -0.058 0.000 0.831 249 D CB 0.036 40.792 40.800 -0.073 0.000 0.987 249 D HN 0.505 nan 8.370 nan 0.000 0.460 250 R N 0.461 120.934 120.500 -0.044 0.000 2.679 250 R HA 0.312 4.697 4.340 0.076 0.000 0.269 250 R C -0.195 176.119 176.300 0.025 0.000 1.076 250 R CA -0.403 55.685 56.100 -0.020 0.000 1.160 250 R CB 0.902 31.174 30.300 -0.047 0.000 1.054 250 R HN -0.163 nan 8.270 nan 0.000 0.507 251 V N 2.968 122.912 119.914 0.050 0.000 2.408 251 V HA 0.160 4.326 4.120 0.076 0.000 0.267 251 V C -0.149 176.009 176.094 0.106 0.000 1.047 251 V CA -0.293 62.062 62.300 0.091 0.000 0.937 251 V CB 1.212 33.083 31.823 0.080 0.000 0.999 251 V HN 0.400 nan 8.190 nan 0.000 0.472 252 V N 6.061 126.077 119.914 0.171 0.000 2.448 252 V HA 0.481 4.647 4.120 0.076 0.000 0.295 252 V C -0.191 176.102 176.094 0.332 0.000 1.025 252 V CA -0.608 61.804 62.300 0.187 0.000 0.859 252 V CB 1.985 33.858 31.823 0.083 0.000 0.988 252 V HN 0.583 nan 8.190 nan 0.000 0.431 253 V N 7.120 127.192 119.914 0.264 0.000 2.513 253 V HA 0.652 4.818 4.120 0.076 0.000 0.299 253 V C -0.584 175.697 176.094 0.311 0.000 1.035 253 V CA -0.390 62.078 62.300 0.279 0.000 0.889 253 V CB 1.782 33.751 31.823 0.244 0.000 0.988 253 V HN 0.767 nan 8.190 nan 0.000 0.440 254 I N 5.551 126.282 120.570 0.268 0.000 2.509 254 I HA 0.710 4.925 4.170 0.076 0.000 0.293 254 I C 0.491 176.655 176.117 0.078 0.000 1.020 254 I CA -0.483 60.953 61.300 0.227 0.000 1.088 254 I CB 2.123 40.242 38.000 0.199 0.000 1.267 254 I HN 0.741 nan 8.210 nan 0.000 0.430 255 G N 3.241 112.035 108.800 -0.010 0.000 2.511 255 G HA2 0.382 4.388 3.960 0.076 0.000 0.318 255 G HA3 0.382 4.388 3.960 0.076 0.000 0.318 255 G C -2.032 172.769 174.900 -0.164 0.000 1.210 255 G CA -0.501 44.328 45.100 -0.451 0.000 0.969 255 G HN 0.546 nan 8.290 nan 0.000 0.484 256 W N 1.790 122.884 121.300 -0.344 0.000 2.368 256 W HA 0.402 5.109 4.660 0.077 0.000 0.316 256 W C -0.115 176.294 176.519 -0.184 0.000 1.375 256 W CA -1.076 56.141 57.345 -0.213 0.000 1.261 256 W CB 1.011 30.367 29.460 -0.172 0.000 1.298 256 W HN 0.186 nan 8.180 nan 0.000 0.539 257 L N 6.958 128.002 121.223 -0.299 0.000 2.536 257 L HA 0.296 4.682 4.340 0.076 0.000 0.242 257 L C -0.261 176.228 176.870 -0.636 0.000 1.280 257 L CA 0.477 55.125 54.840 -0.320 0.000 1.221 257 L CB -0.971 40.984 42.059 -0.172 0.000 1.449 257 L HN 0.592 nan 8.230 nan 0.000 0.405 258 Q N 0.274 119.519 119.800 -0.926 0.000 2.776 258 Q HA 0.434 4.820 4.340 0.076 0.000 0.289 258 Q C -1.695 173.716 176.000 -0.982 0.000 0.912 258 Q CA -0.582 54.561 55.803 -1.099 0.000 0.789 258 Q CB 1.707 29.312 28.738 -1.889 0.000 1.498 258 Q HN 0.243 nan 8.270 nan 0.000 0.408 259 S N 0.305 115.630 115.700 -0.626 0.000 2.500 259 S HA 0.404 4.920 4.470 0.076 0.000 0.301 259 S C -0.326 174.091 174.600 -0.305 0.000 1.092 259 S CA -0.450 57.517 58.200 -0.388 0.000 1.030 259 S CB 0.561 63.663 63.200 -0.165 0.000 1.031 259 S HN 0.724 nan 8.310 nan 0.000 0.483 260 W N 3.367 124.625 121.300 -0.069 0.000 2.358 260 W HA -0.038 4.668 4.660 0.077 0.000 0.303 260 W C 1.937 178.411 176.519 -0.076 0.000 1.208 260 W CA 0.554 57.908 57.345 0.015 0.000 1.274 260 W CB -0.258 29.162 29.460 -0.067 0.000 1.138 260 W HN 0.635 nan 8.180 nan 0.000 0.515 261 L N -0.173 121.110 121.223 0.101 0.000 2.127 261 L HA -0.177 4.209 4.340 0.076 0.000 0.211 261 L C 2.023 178.848 176.870 -0.075 0.000 1.089 261 L CA 1.409 56.257 54.840 0.012 0.000 0.757 261 L CB -0.590 41.468 42.059 -0.001 0.000 0.899 261 L HN -0.015 nan 8.230 nan 0.000 0.434 262 R N -1.716 118.673 120.500 -0.184 0.000 2.397 262 R HA 0.108 4.493 4.340 0.076 0.000 0.241 262 R C 1.860 177.707 176.300 -0.754 0.000 0.914 262 R CA 0.034 55.886 56.100 -0.413 0.000 1.071 262 R CB 0.182 30.232 30.300 -0.416 0.000 1.116 262 R HN 0.134 nan 8.270 nan 0.000 0.524 263 T N 0.399 114.710 114.554 -0.405 0.000 2.720 263 T HA -0.138 4.257 4.350 0.076 0.000 0.268 263 T C 1.845 176.422 174.700 -0.205 0.000 1.037 263 T CA 1.854 63.796 62.100 -0.263 0.000 1.144 263 T CB -0.199 68.762 68.868 0.156 0.000 0.864 263 T HN 0.517 nan 8.240 nan 0.000 0.444 264 G N 0.633 109.350 108.800 -0.137 0.000 2.625 264 G HA2 0.005 4.011 3.960 0.076 0.000 0.214 264 G HA3 0.005 4.011 3.960 0.076 0.000 0.214 264 G C 1.246 176.074 174.900 -0.120 0.000 1.132 264 G CA 0.187 45.236 45.100 -0.085 0.000 0.782 264 G HN 0.475 nan 8.290 nan 0.000 0.538 265 L N -0.893 120.189 121.223 -0.235 0.000 2.567 265 L HA 0.296 4.682 4.340 0.076 0.000 0.225 265 L C 0.470 177.342 176.870 0.003 0.000 1.119 265 L CA -0.214 54.539 54.840 -0.144 0.000 0.871 265 L CB -0.102 41.857 42.059 -0.167 0.000 1.036 265 L HN 0.189 nan 8.230 nan 0.000 0.459 266 Y N 0.997 121.208 120.300 -0.148 0.000 2.352 266 Y HA 0.241 4.837 4.550 0.077 0.000 0.326 266 Y C -1.320 174.333 175.900 -0.413 0.000 1.166 266 Y CA -2.186 55.710 58.100 -0.339 0.000 1.182 266 Y CB 1.162 39.428 38.460 -0.324 0.000 1.216 266 Y HN -0.145 nan 8.280 nan 0.000 0.474 267 P HA -0.004 nan 4.420 nan 0.000 0.267 267 P C 1.086 178.159 177.300 -0.379 0.000 1.289 267 P CA 0.534 63.416 63.100 -0.364 0.000 0.866 267 P CB 0.134 31.627 31.700 -0.346 0.000 1.309 268 T N -0.695 113.494 114.554 -0.607 0.000 2.962 268 T HA -0.158 4.238 4.350 0.076 0.000 0.270 268 T C 1.726 176.055 174.700 -0.618 0.000 1.088 268 T CA 1.074 62.721 62.100 -0.755 0.000 1.127 268 T CB -0.775 67.225 68.868 -1.448 0.000 0.883 268 T HN 0.296 nan 8.240 nan 0.000 0.493 269 K N 0.743 120.932 120.400 -0.351 0.000 2.211 269 K HA -0.079 4.287 4.320 0.076 0.000 0.204 269 K C 2.305 178.846 176.600 -0.099 0.000 1.047 269 K CA 0.711 56.901 56.287 -0.162 0.000 0.935 269 K CB -0.230 32.247 32.500 -0.038 0.000 0.728 269 K HN 0.104 nan 8.250 nan 0.000 0.452 270 R N 1.629 122.070 120.500 -0.098 0.000 2.120 270 R HA -0.068 4.318 4.340 0.076 0.000 0.234 270 R C 1.461 177.754 176.300 -0.011 0.000 1.123 270 R CA 1.425 57.504 56.100 -0.035 0.000 0.975 270 R CB -0.405 29.887 30.300 -0.014 0.000 0.866 270 R HN 0.574 nan 8.270 nan 0.000 0.446 271 E N -0.820 119.354 120.200 -0.043 0.000 2.489 271 E HA 0.114 4.509 4.350 0.076 0.000 0.193 271 E C 0.607 177.306 176.600 0.164 0.000 1.057 271 E CA 0.435 56.876 56.400 0.068 0.000 0.866 271 E CB 0.297 30.087 29.700 0.149 0.000 0.916 271 E HN 0.493 nan 8.360 nan 0.000 0.500 272 G N 1.256 110.106 108.800 0.082 0.000 2.159 272 G HA2 -0.193 3.813 3.960 0.076 0.000 0.227 272 G HA3 -0.193 3.813 3.960 0.076 0.000 0.227 272 G C -0.268 174.798 174.900 0.277 0.000 0.986 272 G CA 0.185 45.383 45.100 0.165 0.000 0.651 272 G HN 0.261 nan 8.290 nan 0.000 0.523 273 W N -0.459 120.902 121.300 0.101 0.000 3.047 273 W HA 0.780 5.485 4.660 0.075 0.000 0.341 273 W C -1.030 175.554 176.519 0.108 0.000 1.225 273 W CA -1.470 55.948 57.345 0.121 0.000 1.150 273 W CB 0.776 30.307 29.460 0.119 0.000 1.470 273 W HN 0.094 nan 8.180 nan 0.000 0.578 274 N N -0.011 118.883 118.700 0.323 0.000 2.452 274 N HA 0.503 5.289 4.740 0.076 0.000 0.277 274 N C -0.893 174.668 175.510 0.086 0.000 1.078 274 N CA 0.097 53.179 53.050 0.053 0.000 0.947 274 N CB 1.983 40.581 38.487 0.185 0.000 1.655 274 N HN 1.069 nan 8.380 nan 0.000 0.490 275 G N 0.658 109.512 108.800 0.090 0.000 2.885 275 G HA2 0.099 4.105 3.960 0.076 0.000 0.685 275 G HA3 0.099 4.105 3.960 0.076 0.000 0.685 275 G C -1.762 173.269 174.900 0.219 0.000 1.216 275 G CA -0.817 44.353 45.100 0.116 0.000 0.790 275 G HN 0.491 nan 8.290 nan 0.000 0.631 276 V N 3.682 123.657 119.914 0.101 0.000 2.888 276 V HA 0.769 4.934 4.120 0.076 0.000 0.309 276 V C 0.076 176.216 176.094 0.077 0.000 1.114 276 V CA -1.212 61.123 62.300 0.059 0.000 0.940 276 V CB 2.080 33.855 31.823 -0.080 0.000 1.021 276 V HN 0.860 nan 8.190 nan 0.000 0.426 277 M N 2.621 122.309 119.600 0.147 0.000 2.314 277 M HA 0.441 4.967 4.480 0.076 0.000 0.342 277 M C 0.591 177.020 176.300 0.215 0.000 1.171 277 M CA -0.065 55.330 55.300 0.159 0.000 1.098 277 M CB 1.571 34.240 32.600 0.115 0.000 1.559 277 M HN 0.933 nan 8.290 nan 0.000 0.459 278 S N 2.048 117.873 115.700 0.208 0.000 2.589 278 S HA 0.403 4.919 4.470 0.076 0.000 0.265 278 S C 0.051 174.845 174.600 0.324 0.000 1.342 278 S CA -0.725 57.662 58.200 0.311 0.000 1.005 278 S CB 0.463 63.911 63.200 0.415 0.000 0.909 278 S HN 0.468 nan 8.310 nan 0.000 0.555 279 L N 2.139 123.535 121.223 0.289 0.000 2.461 279 L HA 0.374 4.760 4.340 0.076 0.000 0.272 279 L C -2.056 174.903 176.870 0.148 0.000 1.197 279 L CA -1.669 53.239 54.840 0.113 0.000 0.836 279 L CB -0.715 41.292 42.059 -0.086 0.000 1.105 279 L HN 0.580 nan 8.230 nan 0.000 0.477 280 P HA 0.341 nan 4.420 nan 0.000 0.275 280 P C -1.190 176.117 177.300 0.011 0.000 1.227 280 P CA -0.440 62.721 63.100 0.102 0.000 0.781 280 P CB 0.771 32.501 31.700 0.050 0.000 0.906 281 R N 0.872 121.417 120.500 0.075 0.000 2.740 281 R HA 0.430 4.816 4.340 0.076 0.000 0.282 281 R C -0.151 176.171 176.300 0.037 0.000 0.969 281 R CA -0.807 55.307 56.100 0.022 0.000 0.918 281 R CB 1.324 31.682 30.300 0.096 0.000 1.175 281 R HN 0.425 nan 8.270 nan 0.000 0.464 282 E N 2.434 122.637 120.200 0.005 0.000 2.229 282 E HA 0.195 4.591 4.350 0.076 0.000 0.283 282 E C -0.914 175.763 176.600 0.129 0.000 1.030 282 E CA -0.653 55.773 56.400 0.044 0.000 0.836 282 E CB 0.654 30.346 29.700 -0.014 0.000 1.068 282 E HN 0.182 nan 8.360 nan 0.000 0.401 283 L N 5.819 127.111 121.223 0.114 0.000 2.289 283 L HA 0.377 4.763 4.340 0.076 0.000 0.285 283 L C -0.764 176.198 176.870 0.153 0.000 1.049 283 L CA -0.408 54.479 54.840 0.078 0.000 0.804 283 L CB 0.469 42.532 42.059 0.007 0.000 1.195 283 L HN 0.486 nan 8.230 nan 0.000 0.428 284 Y N 1.359 121.618 120.300 -0.068 0.000 2.638 284 Y HA 0.808 5.402 4.550 0.073 0.000 0.335 284 Y C -1.406 174.455 175.900 -0.064 0.000 1.155 284 Y CA -1.578 56.488 58.100 -0.057 0.000 1.046 284 Y CB 1.082 39.513 38.460 -0.047 0.000 1.303 284 Y HN 0.101 nan 8.280 nan 0.000 0.460 285 V N 2.293 122.195 119.914 -0.019 0.000 2.417 285 V HA 0.528 4.694 4.120 0.076 0.000 0.291 285 V C -0.765 175.336 176.094 0.011 0.000 1.024 285 V CA -0.570 61.673 62.300 -0.095 0.000 0.861 285 V CB 1.298 33.099 31.823 -0.037 0.000 0.985 285 V HN 0.829 nan 8.190 nan 0.000 0.436 286 E N 4.142 124.310 120.200 -0.053 0.000 2.290 286 E HA 0.333 4.729 4.350 0.076 0.000 0.274 286 E C -0.488 176.114 176.600 0.003 0.000 0.889 286 E CA -0.621 55.800 56.400 0.035 0.000 0.760 286 E CB 1.111 30.887 29.700 0.128 0.000 1.206 286 E HN 0.695 nan 8.360 nan 0.000 0.419 287 N N 4.272 122.984 118.700 0.021 0.000 2.725 287 N HA -0.216 4.570 4.740 0.076 0.000 0.251 287 N C -0.706 174.812 175.510 0.013 0.000 1.031 287 N CA 1.138 54.199 53.050 0.018 0.000 0.720 287 N CB -1.044 37.455 38.487 0.021 0.000 0.930 287 N HN 0.828 nan 8.380 nan 0.000 0.543 288 N N -1.150 117.556 118.700 0.010 0.000 2.714 288 N HA -0.213 4.573 4.740 0.076 0.000 0.250 288 N C -0.621 174.896 175.510 0.012 0.000 1.117 288 N CA 1.428 54.486 53.050 0.014 0.000 0.719 288 N CB -0.497 38.006 38.487 0.027 0.000 1.081 288 N HN 0.675 nan 8.380 nan 0.000 0.557 289 E N 0.025 120.212 120.200 -0.021 0.000 2.293 289 E HA 0.424 4.820 4.350 0.076 0.000 0.270 289 E C -0.395 176.117 176.600 -0.147 0.000 0.879 289 E CA -0.662 55.717 56.400 -0.035 0.000 0.756 289 E CB 2.172 31.861 29.700 -0.017 0.000 1.208 289 E HN 0.063 nan 8.360 nan 0.000 0.428 290 L N 3.361 124.462 121.223 -0.204 0.000 2.319 290 L HA 0.347 4.733 4.340 0.076 0.000 0.280 290 L C -0.770 175.846 176.870 -0.424 0.000 1.099 290 L CA 0.313 54.902 54.840 -0.418 0.000 0.828 290 L CB 0.264 41.835 42.059 -0.814 0.000 1.150 290 L HN 0.503 nan 8.230 nan 0.000 0.442 291 K N 3.561 123.637 120.400 -0.539 0.000 2.385 291 K HA 0.657 5.023 4.320 0.076 0.000 0.248 291 K C -1.442 174.940 176.600 -0.364 0.000 0.955 291 K CA -0.812 55.166 56.287 -0.516 0.000 0.816 291 K CB 2.836 34.833 32.500 -0.839 0.000 1.250 291 K HN 0.295 nan 8.250 nan 0.000 0.434 292 V N 2.361 122.209 119.914 -0.109 0.000 2.588 292 V HA 0.465 4.631 4.120 0.076 0.000 0.304 292 V C -0.690 175.512 176.094 0.179 0.000 1.042 292 V CA -0.810 61.514 62.300 0.040 0.000 0.877 292 V CB 1.510 33.341 31.823 0.013 0.000 0.996 292 V HN 0.841 nan 8.190 nan 0.000 0.425 293 K N 3.852 124.350 120.400 0.164 0.000 2.536 293 K HA 0.745 5.111 4.320 0.076 0.000 0.269 293 K C -3.334 173.150 176.600 -0.193 0.000 0.965 293 K CA -2.155 54.161 56.287 0.048 0.000 0.860 293 K CB 2.518 35.076 32.500 0.097 0.000 1.423 293 K HN 0.302 nan 8.250 nan 0.000 0.438 294 P HA -0.030 nan 4.420 nan 0.000 0.268 294 P C -0.128 176.993 177.300 -0.298 0.000 1.205 294 P CA -0.614 62.141 63.100 -0.576 0.000 0.771 294 P CB 0.593 31.871 31.700 -0.703 0.000 0.858 295 V N -0.145 119.614 119.914 -0.257 0.000 2.843 295 V HA 0.047 4.213 4.120 0.076 0.000 0.305 295 V C 1.006 176.973 176.094 -0.211 0.000 1.065 295 V CA 0.211 62.383 62.300 -0.213 0.000 1.116 295 V CB 0.065 31.755 31.823 -0.222 0.000 0.968 295 V HN 0.387 nan 8.190 nan 0.000 0.487 296 D N 2.273 122.558 120.400 -0.191 0.000 2.178 296 D HA -0.136 4.550 4.640 0.076 0.000 0.201 296 D C 1.883 178.076 176.300 -0.179 0.000 0.980 296 D CA 1.813 55.710 54.000 -0.171 0.000 0.842 296 D CB 0.064 40.770 40.800 -0.156 0.000 0.948 296 D HN 0.889 nan 8.370 nan 0.000 0.472 297 E N 0.126 120.199 120.200 -0.211 0.000 2.265 297 E HA -0.098 4.298 4.350 0.076 0.000 0.196 297 E C 1.799 178.261 176.600 -0.230 0.000 0.996 297 E CA 0.065 56.330 56.400 -0.226 0.000 0.832 297 E CB -0.054 29.475 29.700 -0.286 0.000 0.756 297 E HN 0.107 nan 8.360 nan 0.000 0.491 298 L N 0.191 121.283 121.223 -0.219 0.000 2.261 298 L HA -0.143 4.243 4.340 0.076 0.000 0.216 298 L C 1.792 178.574 176.870 -0.147 0.000 1.114 298 L CA 1.387 56.114 54.840 -0.187 0.000 0.777 298 L CB -0.843 41.115 42.059 -0.168 0.000 0.910 298 L HN 0.275 nan 8.230 nan 0.000 0.440 299 L N -0.885 120.244 121.223 -0.156 0.000 2.187 299 L HA -0.202 4.184 4.340 0.076 0.000 0.213 299 L C 2.540 179.289 176.870 -0.202 0.000 1.100 299 L CA 1.046 55.774 54.840 -0.187 0.000 0.765 299 L CB -0.720 41.232 42.059 -0.180 0.000 0.904 299 L HN 0.265 nan 8.230 nan 0.000 0.437 300 A N -0.065 122.644 122.820 -0.185 0.000 2.070 300 A HA -0.108 4.257 4.320 0.076 0.000 0.220 300 A C 2.209 179.688 177.584 -0.175 0.000 1.159 300 A CA 1.053 52.992 52.037 -0.165 0.000 0.656 300 A CB -0.520 18.388 19.000 -0.152 0.000 0.800 300 A HN 0.404 nan 8.150 nan 0.000 0.453 301 L N -0.414 120.679 121.223 -0.216 0.000 2.275 301 L HA -0.062 4.324 4.340 0.076 0.000 0.215 301 L C 0.777 177.546 176.870 -0.168 0.000 1.119 301 L CA 0.214 54.924 54.840 -0.216 0.000 0.790 301 L CB -0.286 41.599 42.059 -0.290 0.000 0.919 301 L HN 0.294 nan 8.230 nan 0.000 0.443 302 R N 1.275 121.658 120.500 -0.195 0.000 2.421 302 R HA 0.050 4.435 4.340 0.076 0.000 0.305 302 R C 0.322 176.574 176.300 -0.080 0.000 1.039 302 R CA 0.027 56.011 56.100 -0.192 0.000 1.003 302 R CB 0.789 30.789 30.300 -0.501 0.000 0.959 302 R HN 0.146 nan 8.270 nan 0.000 0.427 303 K N 3.017 123.431 120.400 0.024 0.000 3.216 303 K HA 0.119 4.485 4.320 0.076 0.000 0.207 303 K C 0.850 177.518 176.600 0.113 0.000 1.115 303 K CA 0.222 56.538 56.287 0.050 0.000 1.370 303 K CB 0.021 32.551 32.500 0.050 0.000 1.892 303 K HN 0.496 nan 8.250 nan 0.000 0.473 304 R N 1.769 122.346 120.500 0.128 0.000 2.604 304 R HA 0.274 4.659 4.340 0.076 0.000 0.287 304 R C -0.425 175.952 176.300 0.128 0.000 0.970 304 R CA -0.534 55.639 56.100 0.121 0.000 0.946 304 R CB 1.272 31.608 30.300 0.060 0.000 1.127 304 R HN -0.036 nan 8.270 nan 0.000 0.473 305 K N 3.564 123.996 120.400 0.052 0.000 2.315 305 K HA 0.022 4.388 4.320 0.076 0.000 0.291 305 K C 0.880 177.385 176.600 -0.158 0.000 1.074 305 K CA -0.182 55.975 56.287 -0.216 0.000 0.936 305 K CB 1.124 33.443 32.500 -0.302 0.000 1.049 305 K HN 0.635 nan 8.250 nan 0.000 0.471 306 V N 5.725 125.552 119.914 -0.145 0.000 2.591 306 V HA 0.148 4.314 4.120 0.076 0.000 0.249 306 V C -0.057 176.029 176.094 -0.013 0.000 1.053 306 V CA 0.996 63.257 62.300 -0.066 0.000 1.068 306 V CB -0.333 31.453 31.823 -0.062 0.000 0.689 306 V HN 0.684 nan 8.190 nan 0.000 0.462 307 F N 0.825 120.607 119.950 -0.279 0.000 2.678 307 F HA 0.661 5.234 4.527 0.077 0.000 0.308 307 F C -1.088 174.518 175.800 -0.323 0.000 1.118 307 F CA -0.400 57.432 58.000 -0.280 0.000 0.959 307 F CB 1.602 40.434 39.000 -0.280 0.000 1.305 307 F HN 0.434 nan 8.300 nan 0.000 0.443 308 E N 2.303 121.679 120.200 -1.373 0.000 2.390 308 E HA 0.576 4.972 4.350 0.076 0.000 0.280 308 E C -2.026 173.795 176.600 -1.299 0.000 0.992 308 E CA -0.930 54.813 56.400 -1.095 0.000 0.790 308 E CB 2.407 31.771 29.700 -0.561 0.000 1.248 308 E HN 0.678 nan 8.360 nan 0.000 0.447 309 T N -0.033 114.042 114.554 -0.798 0.000 2.889 309 T HA 0.640 5.036 4.350 0.076 0.000 0.315 309 T C -1.209 173.356 174.700 -0.224 0.000 1.291 309 T CA 0.110 61.897 62.100 -0.522 0.000 1.028 309 T CB 1.659 70.198 68.868 -0.549 0.000 1.235 309 T HN 0.721 nan 8.240 nan 0.000 0.491 310 A N 3.148 125.893 122.820 -0.126 0.000 2.594 310 A HA 0.555 4.921 4.320 0.076 0.000 0.287 310 A C 0.216 177.811 177.584 0.017 0.000 1.227 310 A CA -0.269 51.742 52.037 -0.043 0.000 0.952 310 A CB -0.238 18.735 19.000 -0.045 0.000 1.161 310 A HN 0.771 nan 8.150 nan 0.000 0.524 311 K N -1.430 119.003 120.400 0.056 0.000 2.536 311 K HA 0.648 5.014 4.320 0.076 0.000 0.269 311 K C -0.838 175.888 176.600 0.209 0.000 0.965 311 K CA -0.560 55.795 56.287 0.114 0.000 0.860 311 K CB 0.948 33.514 32.500 0.110 0.000 1.423 311 K HN -0.076 nan 8.250 nan 0.000 0.438 312 S N -0.317 115.483 115.700 0.166 0.000 2.584 312 S HA 0.656 5.172 4.470 0.076 0.000 0.270 312 S C 0.226 174.929 174.600 0.172 0.000 1.346 312 S CA 0.558 58.857 58.200 0.164 0.000 1.018 312 S CB 0.871 64.113 63.200 0.070 0.000 0.899 312 S HN 0.939 nan 8.310 nan 0.000 0.542 313 G N 0.418 109.242 108.800 0.039 0.000 2.341 313 G HA2 0.388 4.393 3.960 0.076 0.000 0.293 313 G HA3 0.388 4.393 3.960 0.076 0.000 0.293 313 G C -1.516 172.962 174.900 -0.703 0.000 1.298 313 G CA -0.836 44.030 45.100 -0.390 0.000 0.868 313 G HN 0.651 nan 8.290 nan 0.000 0.540 314 T N 0.541 114.540 114.554 -0.927 0.000 2.807 314 T HA 0.725 5.121 4.350 0.076 0.000 0.279 314 T C -1.310 172.855 174.700 -0.892 0.000 0.993 314 T CA -0.040 61.649 62.100 -0.686 0.000 0.970 314 T CB 0.893 69.556 68.868 -0.342 0.000 0.950 314 T HN 0.429 nan 8.240 nan 0.000 0.441 315 F N 1.890 121.740 119.950 -0.166 0.000 2.569 315 F HA 0.549 5.125 4.527 0.082 0.000 0.312 315 F C -0.473 175.151 175.800 -0.293 0.000 1.109 315 F CA -1.282 56.561 58.000 -0.261 0.000 0.919 315 F CB 1.380 40.054 39.000 -0.544 0.000 1.211 315 F HN 0.301 nan 8.300 nan 0.000 0.446 316 L N 4.413 125.610 121.223 -0.044 0.000 2.281 316 L HA 0.498 4.884 4.340 0.076 0.000 0.285 316 L C -0.855 175.928 176.870 -0.145 0.000 1.074 316 L CA -0.046 54.746 54.840 -0.080 0.000 0.817 316 L CB 0.241 42.280 42.059 -0.035 0.000 1.168 316 L HN 0.505 nan 8.230 nan 0.000 0.434 317 L N 3.979 125.094 121.223 -0.180 0.000 2.375 317 L HA 0.299 4.685 4.340 0.076 0.000 0.271 317 L C -0.007 176.805 176.870 -0.096 0.000 1.107 317 L CA -0.534 54.179 54.840 -0.211 0.000 0.806 317 L CB 0.975 42.858 42.059 -0.294 0.000 1.146 317 L HN 0.565 nan 8.230 nan 0.000 0.447 318 D N 2.685 123.045 120.400 -0.067 0.000 2.639 318 D HA 0.307 4.993 4.640 0.076 0.000 0.233 318 D C -0.831 175.460 176.300 -0.016 0.000 1.161 318 D CA -0.178 53.809 54.000 -0.022 0.000 1.003 318 D CB 0.173 40.972 40.800 -0.002 0.000 1.034 318 D HN 0.214 nan 8.370 nan 0.000 0.514 319 V N -0.472 119.438 119.914 -0.007 0.000 2.735 319 V HA 0.536 4.702 4.120 0.076 0.000 0.310 319 V C 0.674 176.813 176.094 0.075 0.000 1.061 319 V CA -0.889 61.436 62.300 0.041 0.000 0.913 319 V CB 2.132 33.987 31.823 0.053 0.000 1.005 319 V HN 0.008 nan 8.190 nan 0.000 0.428 320 K N 1.690 122.143 120.400 0.088 0.000 2.353 320 K HA 0.304 4.670 4.320 0.076 0.000 0.195 320 K C 0.337 176.991 176.600 0.091 0.000 1.031 320 K CA 0.337 56.670 56.287 0.078 0.000 1.079 320 K CB 0.408 32.946 32.500 0.064 0.000 0.857 320 K HN 0.960 nan 8.250 nan 0.000 0.535 321 E N -0.448 119.828 120.200 0.126 0.000 2.437 321 E HA 0.180 4.576 4.350 0.076 0.000 0.280 321 E C -1.336 175.357 176.600 0.155 0.000 1.044 321 E CA -0.854 55.616 56.400 0.116 0.000 0.826 321 E CB 0.364 30.122 29.700 0.097 0.000 1.358 321 E HN -0.225 nan 8.360 nan 0.000 0.459 322 N N 0.702 119.443 118.700 0.069 0.000 2.739 322 N HA 0.144 4.930 4.740 0.076 0.000 0.266 322 N C -0.983 174.528 175.510 0.002 0.000 1.168 322 N CA 0.161 53.191 53.050 -0.033 0.000 1.055 322 N CB 0.303 38.692 38.487 -0.164 0.000 1.393 322 N HN 0.402 nan 8.380 nan 0.000 0.514 323 S N 2.072 117.834 115.700 0.103 0.000 2.680 323 S HA 0.279 4.795 4.470 0.076 0.000 0.140 323 S C -1.478 173.295 174.600 0.287 0.000 1.357 323 S CA -0.722 57.638 58.200 0.268 0.000 1.201 323 S CB -0.457 62.923 63.200 0.300 0.000 1.547 323 S HN 0.445 nan 8.310 nan 0.000 0.411 324 Y N -0.373 120.043 120.300 0.193 0.000 2.670 324 Y HA 0.773 5.367 4.550 0.073 0.000 0.334 324 Y C -1.031 174.887 175.900 0.030 0.000 1.185 324 Y CA -1.202 56.952 58.100 0.089 0.000 1.053 324 Y CB 0.729 39.236 38.460 0.079 0.000 1.298 324 Y HN 0.275 nan 8.280 nan 0.000 0.459 325 E N 1.890 122.227 120.200 0.229 0.000 2.199 325 E HA 0.542 4.938 4.350 0.076 0.000 0.265 325 E C -1.619 175.066 176.600 0.141 0.000 0.882 325 E CA -0.777 55.591 56.400 -0.054 0.000 0.759 325 E CB 1.403 30.877 29.700 -0.376 0.000 1.148 325 E HN 0.732 nan 8.360 nan 0.000 0.412 326 I N 4.302 124.952 120.570 0.133 0.000 2.342 326 I HA 0.225 4.441 4.170 0.076 0.000 0.291 326 I C -0.547 175.648 176.117 0.129 0.000 1.010 326 I CA -0.844 60.554 61.300 0.163 0.000 1.308 326 I CB 1.488 39.623 38.000 0.226 0.000 1.400 326 I HN 0.260 nan 8.210 nan 0.000 0.488 327 V N 6.158 126.157 119.914 0.140 0.000 2.378 327 V HA 0.309 4.475 4.120 0.076 0.000 0.288 327 V C -0.508 175.678 176.094 0.153 0.000 1.016 327 V CA -0.501 61.892 62.300 0.154 0.000 0.840 327 V CB 1.593 33.526 31.823 0.183 0.000 0.994 327 V HN 0.878 nan 8.190 nan 0.000 0.431 328 C N 5.033 124.452 119.300 0.199 0.000 2.432 328 C HA 0.623 5.128 4.460 0.076 0.000 0.334 328 C C -0.331 174.838 174.990 0.297 0.000 1.155 328 C CA -0.403 58.755 59.018 0.233 0.000 1.335 328 C CB 0.552 28.447 27.740 0.257 0.000 1.964 328 C HN 1.036 nan 8.230 nan 0.000 0.444 329 E N 4.276 124.614 120.200 0.231 0.000 2.179 329 E HA 0.787 5.183 4.350 0.076 0.000 0.275 329 E C -0.883 175.885 176.600 0.281 0.000 0.945 329 E CA -0.424 56.080 56.400 0.173 0.000 0.792 329 E CB 1.068 30.809 29.700 0.068 0.000 1.125 329 E HN 0.643 nan 8.360 nan 0.000 0.397 330 F N -0.076 119.913 119.950 0.064 0.000 2.713 330 F HA 0.656 5.191 4.527 0.015 0.000 0.311 330 F C -1.277 174.561 175.800 0.063 0.000 1.141 330 F CA -0.982 57.057 58.000 0.066 0.000 0.939 330 F CB 1.316 40.367 39.000 0.085 0.000 1.325 330 F HN 0.164 nan 8.300 nan 0.000 0.453 331 S N 0.700 116.514 115.700 0.191 0.000 2.536 331 S HA 0.819 5.335 4.470 0.076 0.000 0.298 331 S C 0.234 174.978 174.600 0.240 0.000 1.083 331 S CA -0.124 58.133 58.200 0.095 0.000 0.995 331 S CB 1.202 64.436 63.200 0.058 0.000 1.058 331 S HN 1.803 nan 8.310 nan 0.000 0.488 332 G N 2.619 111.528 108.800 0.181 0.000 2.527 332 G HA2 -0.197 3.808 3.960 0.076 0.000 0.268 332 G HA3 -0.197 3.808 3.960 0.076 0.000 0.268 332 G C -0.682 174.396 174.900 0.297 0.000 1.175 332 G CA -0.236 44.979 45.100 0.191 0.000 0.962 332 G HN 0.707 nan 8.290 nan 0.000 0.560 333 E N -0.335 119.980 120.200 0.191 0.000 2.283 333 E HA 0.679 5.075 4.350 0.076 0.000 0.267 333 E C -0.118 176.500 176.600 0.030 0.000 1.045 333 E CA -0.303 56.172 56.400 0.125 0.000 0.884 333 E CB 2.178 31.906 29.700 0.047 0.000 1.106 333 E HN 0.611 nan 8.360 nan 0.000 0.408 334 I N 0.329 120.817 120.570 -0.137 0.000 2.913 334 I HA 0.239 4.455 4.170 0.076 0.000 0.302 334 I C -1.588 174.381 176.117 -0.246 0.000 1.246 334 I CA -0.465 60.647 61.300 -0.313 0.000 1.010 334 I CB 2.162 39.635 38.000 -0.878 0.000 1.259 334 I HN 0.475 nan 8.210 nan 0.000 0.434 335 E N 6.289 126.370 120.200 -0.198 0.000 2.216 335 E HA 0.400 4.796 4.350 0.076 0.000 0.260 335 E C -2.057 174.455 176.600 -0.146 0.000 0.880 335 E CA -0.766 55.533 56.400 -0.168 0.000 0.765 335 E CB 2.119 31.746 29.700 -0.121 0.000 1.174 335 E HN 0.490 nan 8.360 nan 0.000 0.417 336 L N 5.036 126.170 121.223 -0.148 0.000 2.325 336 L HA 0.508 4.894 4.340 0.076 0.000 0.281 336 L C -1.213 175.621 176.870 -0.060 0.000 1.004 336 L CA -0.303 54.489 54.840 -0.079 0.000 0.823 336 L CB 1.154 43.181 42.059 -0.055 0.000 1.236 336 L HN 0.473 nan 8.230 nan 0.000 0.415 337 R N 6.539 127.016 120.500 -0.038 0.000 2.562 337 R HA 0.780 5.166 4.340 0.076 0.000 0.298 337 R C -0.892 175.394 176.300 -0.023 0.000 0.961 337 R CA -0.715 55.353 56.100 -0.053 0.000 0.881 337 R CB 1.962 32.210 30.300 -0.087 0.000 1.159 337 R HN 0.724 nan 8.270 nan 0.000 0.450 338 M N 0.088 119.666 119.600 -0.037 0.000 2.327 338 M HA 0.828 5.354 4.480 0.076 0.000 0.298 338 M C -0.520 175.533 176.300 -0.412 0.000 1.065 338 M CA -0.629 54.651 55.300 -0.035 0.000 0.916 338 M CB 2.533 35.258 32.600 0.208 0.000 1.630 338 M HN 0.759 nan 8.290 nan 0.000 0.442 339 G N 2.595 111.090 108.800 -0.507 0.000 2.399 339 G HA2 0.411 4.417 3.960 0.076 0.000 0.256 339 G HA3 0.411 4.417 3.960 0.076 0.000 0.256 339 G C -2.008 172.696 174.900 -0.327 0.000 1.236 339 G CA -0.173 44.386 45.100 -0.901 0.000 0.914 339 G HN 1.070 nan 8.290 nan 0.000 0.482 340 N N -1.701 116.870 118.700 -0.216 0.000 3.550 340 N HA 0.389 5.175 4.740 0.076 0.000 0.345 340 N C 0.542 176.015 175.510 -0.062 0.000 1.647 340 N CA -0.195 52.820 53.050 -0.058 0.000 0.737 340 N CB 0.722 39.236 38.487 0.045 0.000 2.178 340 N HN 0.444 nan 8.380 nan 0.000 0.638 341 E N -0.761 119.423 120.200 -0.027 0.000 2.204 341 E HA 0.021 4.416 4.350 0.076 0.000 0.194 341 E C 0.405 176.990 176.600 -0.026 0.000 0.989 341 E CA 1.251 57.634 56.400 -0.028 0.000 0.824 341 E CB -0.005 29.686 29.700 -0.015 0.000 0.756 341 E HN 0.497 nan 8.360 nan 0.000 0.477 342 S N -0.519 115.173 115.700 -0.013 0.000 2.520 342 S HA 0.139 4.655 4.470 0.076 0.000 0.219 342 S C 0.026 174.622 174.600 -0.007 0.000 1.028 342 S CA -0.087 58.111 58.200 -0.003 0.000 0.921 342 S CB 0.655 63.867 63.200 0.021 0.000 0.844 342 S HN 0.109 nan 8.310 nan 0.000 0.495 343 E N 0.974 121.157 120.200 -0.028 0.000 2.343 343 E HA 0.581 4.977 4.350 0.076 0.000 0.270 343 E C -0.907 175.567 176.600 -0.210 0.000 0.895 343 E CA -0.770 55.607 56.400 -0.039 0.000 0.767 343 E CB 2.116 31.883 29.700 0.111 0.000 1.248 343 E HN 0.347 nan 8.360 nan 0.000 0.440 344 E N -0.282 119.793 120.200 -0.209 0.000 2.388 344 E HA 0.459 4.854 4.350 0.076 0.000 0.281 344 E C -1.733 174.766 176.600 -0.168 0.000 1.046 344 E CA -0.799 55.411 56.400 -0.316 0.000 0.825 344 E CB 1.528 31.097 29.700 -0.218 0.000 1.243 344 E HN 0.189 nan 8.360 nan 0.000 0.438 345 V N 1.752 121.579 119.914 -0.144 0.000 2.555 345 V HA 0.528 4.693 4.120 0.076 0.000 0.302 345 V C -0.590 175.460 176.094 -0.072 0.000 1.038 345 V CA -0.718 61.556 62.300 -0.043 0.000 0.887 345 V CB 1.702 33.602 31.823 0.127 0.000 0.991 345 V HN 0.595 nan 8.190 nan 0.000 0.434 346 V N 5.731 125.559 119.914 -0.143 0.000 2.540 346 V HA 0.584 4.750 4.120 0.076 0.000 0.302 346 V C -0.462 175.455 176.094 -0.294 0.000 1.035 346 V CA -0.577 61.618 62.300 -0.176 0.000 0.873 346 V CB 2.001 33.727 31.823 -0.161 0.000 0.992 346 V HN 0.774 nan 8.190 nan 0.000 0.428 347 I N 3.437 123.810 120.570 -0.329 0.000 2.436 347 I HA 0.692 4.908 4.170 0.076 0.000 0.289 347 I C -0.559 175.354 176.117 -0.340 0.000 1.010 347 I CA 0.251 61.266 61.300 -0.475 0.000 1.098 347 I CB 1.984 39.532 38.000 -0.754 0.000 1.266 347 I HN 0.701 nan 8.210 nan 0.000 0.434 348 T N 6.551 120.909 114.554 -0.326 0.000 2.881 348 T HA 0.299 4.694 4.350 0.076 0.000 0.290 348 T C -0.690 173.868 174.700 -0.236 0.000 1.000 348 T CA -0.693 61.259 62.100 -0.247 0.000 0.978 348 T CB 1.498 70.253 68.868 -0.188 0.000 0.997 348 T HN 0.422 nan 8.240 nan 0.000 0.443 349 K N 2.476 122.763 120.400 -0.189 0.000 2.268 349 K HA 0.375 4.741 4.320 0.076 0.000 0.276 349 K C -0.552 176.020 176.600 -0.046 0.000 1.080 349 K CA -0.247 55.983 56.287 -0.096 0.000 0.910 349 K CB 0.770 33.313 32.500 0.071 0.000 1.163 349 K HN 0.575 nan 8.250 nan 0.000 0.465 350 S N 5.388 121.056 115.700 -0.053 0.000 2.532 350 S HA 0.311 4.827 4.470 0.076 0.000 0.318 350 S C 0.298 174.894 174.600 -0.007 0.000 1.083 350 S CA -0.464 57.718 58.200 -0.030 0.000 1.131 350 S CB 0.070 63.241 63.200 -0.048 0.000 0.973 350 S HN 0.890 nan 8.310 nan 0.000 0.468 351 R N 2.207 122.718 120.500 0.019 0.000 3.987 351 R HA -0.186 4.200 4.340 0.076 0.000 0.298 351 R C -0.123 176.201 176.300 0.040 0.000 0.268 351 R CA 2.041 58.159 56.100 0.030 0.000 1.023 351 R CB -1.704 28.607 30.300 0.018 0.000 0.974 351 R HN 0.813 nan 8.270 nan 0.000 0.570 352 D N 2.252 122.669 120.400 0.028 0.000 2.525 352 D HA 0.188 4.874 4.640 0.076 0.000 0.229 352 D C -0.364 175.945 176.300 0.015 0.000 1.202 352 D CA 0.199 54.220 54.000 0.036 0.000 0.828 352 D CB 0.181 41.005 40.800 0.039 0.000 1.008 352 D HN 0.359 nan 8.370 nan 0.000 0.493 353 E N 0.200 120.391 120.200 -0.014 0.000 2.272 353 E HA 0.403 4.799 4.350 0.076 0.000 0.269 353 E C -1.088 175.444 176.600 -0.113 0.000 0.877 353 E CA -0.860 55.510 56.400 -0.050 0.000 0.755 353 E CB 2.824 32.498 29.700 -0.043 0.000 1.192 353 E HN 0.070 nan 8.360 nan 0.000 0.422 354 L N 4.663 125.784 121.223 -0.171 0.000 2.287 354 L HA 0.554 4.940 4.340 0.076 0.000 0.287 354 L C -1.063 175.627 176.870 -0.300 0.000 1.022 354 L CA -0.557 54.094 54.840 -0.315 0.000 0.814 354 L CB 0.728 42.494 42.059 -0.490 0.000 1.217 354 L HN 0.496 nan 8.230 nan 0.000 0.420 355 I N 4.733 125.102 120.570 -0.336 0.000 2.465 355 I HA 0.457 4.673 4.170 0.076 0.000 0.291 355 I C -0.710 175.163 176.117 -0.407 0.000 1.014 355 I CA -0.767 60.364 61.300 -0.282 0.000 1.093 355 I CB 2.292 40.187 38.000 -0.174 0.000 1.267 355 I HN 0.174 nan 8.210 nan 0.000 0.431 356 V N 3.914 123.599 119.914 -0.382 0.000 2.604 356 V HA 0.467 4.632 4.120 0.076 0.000 0.305 356 V C -0.931 174.962 176.094 -0.334 0.000 1.043 356 V CA -0.492 61.528 62.300 -0.466 0.000 0.888 356 V CB 2.173 33.661 31.823 -0.558 0.000 0.995 356 V HN 0.666 nan 8.190 nan 0.000 0.429 357 D N 2.539 122.727 120.400 -0.352 0.000 2.473 357 D HA 0.304 4.990 4.640 0.076 0.000 0.253 357 D C 0.570 176.712 176.300 -0.264 0.000 1.233 357 D CA -0.151 53.700 54.000 -0.247 0.000 0.908 357 D CB 2.055 42.754 40.800 -0.170 0.000 1.170 357 D HN 0.679 nan 8.370 nan 0.000 0.558 358 T N -0.552 113.832 114.554 -0.284 0.000 3.176 358 T HA 0.030 4.426 4.350 0.076 0.000 0.263 358 T C 1.547 176.196 174.700 -0.086 0.000 1.021 358 T CA 0.393 62.369 62.100 -0.207 0.000 0.905 358 T CB -0.150 68.541 68.868 -0.295 0.000 1.057 358 T HN 0.299 nan 8.240 nan 0.000 0.558 359 T N 0.041 114.555 114.554 -0.068 0.000 2.881 359 T HA -0.049 4.347 4.350 0.076 0.000 0.270 359 T C 1.667 176.360 174.700 -0.013 0.000 1.068 359 T CA 0.609 62.694 62.100 -0.025 0.000 1.131 359 T CB -0.341 68.513 68.868 -0.024 0.000 0.871 359 T HN 0.374 nan 8.240 nan 0.000 0.479 360 R N 0.990 121.475 120.500 -0.026 0.000 2.552 360 R HA 0.243 4.629 4.340 0.076 0.000 0.314 360 R C 1.951 178.259 176.300 0.013 0.000 1.041 360 R CA 0.421 56.513 56.100 -0.013 0.000 1.076 360 R CB 0.118 30.396 30.300 -0.037 0.000 1.290 360 R HN 0.619 nan 8.270 nan 0.000 0.563 361 S N -1.848 113.874 115.700 0.036 0.000 2.436 361 S HA 0.159 4.675 4.470 0.076 0.000 0.228 361 S C 0.975 175.675 174.600 0.166 0.000 1.014 361 S CA 0.579 58.849 58.200 0.118 0.000 0.950 361 S CB 0.562 63.805 63.200 0.072 0.000 0.784 361 S HN 0.399 nan 8.310 nan 0.000 0.504 362 G N -0.133 108.730 108.800 0.105 0.000 2.367 362 G HA2 0.248 4.254 3.960 0.076 0.000 0.272 362 G HA3 0.248 4.254 3.960 0.076 0.000 0.272 362 G C -0.086 174.877 174.900 0.104 0.000 1.271 362 G CA -0.166 45.008 45.100 0.123 0.000 0.893 362 G HN 0.360 nan 8.290 nan 0.000 0.485 363 V N 1.184 121.176 119.914 0.130 0.000 3.510 363 V HA 0.188 4.354 4.120 0.076 0.000 0.270 363 V C 2.081 178.225 176.094 0.083 0.000 1.201 363 V CA 2.553 64.916 62.300 0.105 0.000 1.166 363 V CB -0.100 31.803 31.823 0.134 0.000 0.825 363 V HN 1.239 nan 8.190 nan 0.000 0.484 364 S N -1.402 114.367 115.700 0.115 0.000 2.568 364 S HA 0.441 4.956 4.470 0.076 0.000 0.232 364 S C 1.180 175.863 174.600 0.137 0.000 0.975 364 S CA 0.429 58.729 58.200 0.167 0.000 0.949 364 S CB 0.393 63.813 63.200 0.367 0.000 0.829 364 S HN 1.124 nan 8.310 nan 0.000 0.479 365 G N 0.958 109.811 108.800 0.087 0.000 2.582 365 G HA2 0.200 4.205 3.960 0.076 0.000 0.288 365 G HA3 0.200 4.205 3.960 0.076 0.000 0.288 365 G C 0.268 175.204 174.900 0.060 0.000 1.247 365 G CA -0.138 44.999 45.100 0.062 0.000 0.972 365 G HN 1.795 nan 8.290 nan 0.000 0.557 366 G N -2.376 106.457 108.800 0.055 0.000 2.364 366 G HA2 0.636 4.642 3.960 0.076 0.000 0.286 366 G HA3 0.636 4.642 3.960 0.076 0.000 0.286 366 G C -1.138 173.796 174.900 0.057 0.000 1.241 366 G CA 0.539 45.675 45.100 0.060 0.000 0.887 366 G HN 1.118 nan 8.290 nan 0.000 0.484 367 E N -1.860 118.374 120.200 0.058 0.000 2.459 367 E HA 0.602 4.998 4.350 0.076 0.000 0.275 367 E C -1.486 175.137 176.600 0.038 0.000 0.987 367 E CA -0.897 55.546 56.400 0.072 0.000 0.828 367 E CB 2.804 32.587 29.700 0.139 0.000 1.428 367 E HN 0.315 nan 8.360 nan 0.000 0.457 368 V N 1.738 121.686 119.914 0.056 0.000 2.417 368 V HA 0.501 4.667 4.120 0.076 0.000 0.291 368 V C -0.300 175.868 176.094 0.124 0.000 1.024 368 V CA -0.719 61.603 62.300 0.038 0.000 0.861 368 V CB 1.175 32.998 31.823 0.001 0.000 0.985 368 V HN 0.467 nan 8.190 nan 0.000 0.436 369 R N 3.779 124.397 120.500 0.196 0.000 2.807 369 R HA 0.736 5.122 4.340 0.076 0.000 0.276 369 R C -0.884 175.570 176.300 0.256 0.000 0.979 369 R CA -0.867 55.406 56.100 0.289 0.000 0.928 369 R CB 2.901 33.508 30.300 0.512 0.000 1.191 369 R HN 0.943 nan 8.270 nan 0.000 0.471 370 K N -1.329 119.205 120.400 0.224 0.000 2.536 370 K HA 0.630 4.995 4.320 0.076 0.000 0.269 370 K C -1.172 175.463 176.600 0.059 0.000 0.965 370 K CA -0.787 55.585 56.287 0.141 0.000 0.860 370 K CB 2.260 34.774 32.500 0.023 0.000 1.423 370 K HN 0.401 nan 8.250 nan 0.000 0.438 371 S N 0.474 116.183 115.700 0.015 0.000 2.536 371 S HA 0.436 4.952 4.470 0.076 0.000 0.271 371 S C -1.176 173.383 174.600 -0.069 0.000 1.134 371 S CA -0.603 57.487 58.200 -0.182 0.000 0.897 371 S CB 1.599 64.429 63.200 -0.616 0.000 1.094 371 S HN 0.690 nan 8.310 nan 0.000 0.473 372 T N 1.453 115.979 114.554 -0.047 0.000 2.884 372 T HA 0.646 5.041 4.350 0.076 0.000 0.298 372 T C -0.035 174.694 174.700 0.048 0.000 0.998 372 T CA -0.500 61.602 62.100 0.004 0.000 1.124 372 T CB 0.603 69.481 68.868 0.017 0.000 0.931 372 T HN 0.536 nan 8.240 nan 0.000 0.531 373 V N 1.468 121.426 119.914 0.074 0.000 2.962 373 V HA 0.454 4.620 4.120 0.076 0.000 0.313 373 V C -0.016 176.170 176.094 0.154 0.000 1.099 373 V CA -1.361 61.030 62.300 0.152 0.000 0.971 373 V CB 1.928 33.879 31.823 0.213 0.000 1.028 373 V HN 0.938 nan 8.190 nan 0.000 0.430 374 E N 1.159 121.463 120.200 0.173 0.000 2.373 374 E HA 0.265 4.661 4.350 0.076 0.000 0.267 374 E C -1.171 175.516 176.600 0.145 0.000 1.032 374 E CA -0.370 56.108 56.400 0.131 0.000 0.889 374 E CB 0.725 30.488 29.700 0.105 0.000 0.984 374 E HN 0.756 nan 8.360 nan 0.000 0.425 375 D N 2.230 122.692 120.400 0.102 0.000 2.302 375 D HA 0.161 4.847 4.640 0.076 0.000 0.248 375 D C -0.128 176.201 176.300 0.049 0.000 1.094 375 D CA -0.029 54.025 54.000 0.089 0.000 0.897 375 D CB 0.879 41.720 40.800 0.068 0.000 1.200 375 D HN 0.182 nan 8.370 nan 0.000 0.429 376 E N 0.118 120.328 120.200 0.017 0.000 2.369 376 E HA 0.440 4.836 4.350 0.076 0.000 0.270 376 E C 0.442 177.015 176.600 -0.044 0.000 0.909 376 E CA -1.038 55.345 56.400 -0.028 0.000 0.775 376 E CB 1.831 31.485 29.700 -0.077 0.000 1.270 376 E HN 0.366 nan 8.360 nan 0.000 0.445 377 A N 1.336 124.130 122.820 -0.043 0.000 1.883 377 A HA -0.089 4.276 4.320 0.076 0.000 0.217 377 A C 0.974 178.514 177.584 -0.073 0.000 1.186 377 A CA 1.887 53.900 52.037 -0.040 0.000 0.624 377 A CB -0.455 18.527 19.000 -0.029 0.000 0.822 377 A HN 0.527 nan 8.150 nan 0.000 0.444 378 T N -0.919 113.569 114.554 -0.109 0.000 2.812 378 T HA 0.571 4.966 4.350 0.076 0.000 0.282 378 T C -0.730 173.805 174.700 -0.275 0.000 0.990 378 T CA -1.052 60.947 62.100 -0.169 0.000 0.960 378 T CB 1.448 70.249 68.868 -0.112 0.000 0.948 378 T HN 0.227 nan 8.240 nan 0.000 0.438 379 N N 2.270 120.672 118.700 -0.496 0.000 2.477 379 N HA 0.556 5.342 4.740 0.076 0.000 0.284 379 N C -0.425 174.760 175.510 -0.540 0.000 1.182 379 N CA -0.778 51.866 53.050 -0.678 0.000 0.949 379 N CB 1.692 39.572 38.487 -1.012 0.000 1.204 379 N HN 0.537 nan 8.380 nan 0.000 0.526 380 R N 0.708 120.983 120.500 -0.375 0.000 2.533 380 R HA 0.516 4.901 4.340 0.076 0.000 0.288 380 R C -0.829 175.572 176.300 0.168 0.000 1.039 380 R CA -0.482 55.592 56.100 -0.043 0.000 0.909 380 R CB 1.664 31.931 30.300 -0.055 0.000 1.195 380 R HN 0.475 nan 8.270 nan 0.000 0.438 381 I N 2.682 123.496 120.570 0.406 0.000 2.441 381 I HA 0.455 4.671 4.170 0.076 0.000 0.295 381 I C -0.121 176.228 176.117 0.386 0.000 0.994 381 I CA -0.767 60.831 61.300 0.498 0.000 1.144 381 I CB 1.795 40.126 38.000 0.552 0.000 1.314 381 I HN 0.340 nan 8.210 nan 0.000 0.445 382 R N 4.782 125.544 120.500 0.437 0.000 2.480 382 R HA 0.754 5.140 4.340 0.076 0.000 0.306 382 R C -1.022 175.530 176.300 0.419 0.000 0.958 382 R CA -0.684 55.626 56.100 0.351 0.000 0.861 382 R CB 2.069 32.580 30.300 0.351 0.000 1.171 382 R HN 0.677 nan 8.270 nan 0.000 0.445 383 A N 3.898 126.834 122.820 0.194 0.000 2.319 383 A HA 0.574 4.940 4.320 0.076 0.000 0.310 383 A C -1.111 176.439 177.584 -0.057 0.000 1.152 383 A CA -0.554 51.511 52.037 0.046 0.000 0.783 383 A CB 0.396 19.404 19.000 0.013 0.000 1.184 383 A HN 0.607 nan 8.150 nan 0.000 0.474 384 F N 2.628 122.607 119.950 0.049 0.000 2.350 384 F HA 0.431 5.010 4.527 0.086 0.000 0.365 384 F C 0.046 175.872 175.800 0.043 0.000 1.122 384 F CA -0.518 57.566 58.000 0.140 0.000 1.139 384 F CB 1.513 40.694 39.000 0.302 0.000 1.220 384 F HN 0.474 nan 8.300 nan 0.000 0.499 385 L N 4.414 125.669 121.223 0.054 0.000 2.275 385 L HA 0.518 4.904 4.340 0.076 0.000 0.288 385 L C -0.590 176.296 176.870 0.026 0.000 1.046 385 L CA 0.248 55.009 54.840 -0.132 0.000 0.805 385 L CB 0.595 42.330 42.059 -0.540 0.000 1.193 385 L HN 0.500 nan 8.230 nan 0.000 0.426 386 D N 1.253 121.633 120.400 -0.034 0.000 2.714 386 D HA 0.370 5.055 4.640 0.076 0.000 0.278 386 D C 0.739 176.949 176.300 -0.151 0.000 1.102 386 D CA -0.279 53.668 54.000 -0.088 0.000 1.108 386 D CB 2.285 42.947 40.800 -0.230 0.000 1.444 386 D HN 0.507 nan 8.370 nan 0.000 0.568 387 S N -0.623 115.009 115.700 -0.113 0.000 2.400 387 S HA -0.119 4.397 4.470 0.076 0.000 0.232 387 S C 1.461 176.057 174.600 -0.006 0.000 1.025 387 S CA 1.390 59.562 58.200 -0.046 0.000 0.993 387 S CB -0.373 62.825 63.200 -0.004 0.000 0.808 387 S HN 0.588 nan 8.310 nan 0.000 0.478 388 C N 0.763 119.989 119.300 -0.123 0.000 3.304 388 C HA 0.739 5.244 4.460 0.076 0.000 0.264 388 C C 0.027 174.750 174.990 -0.444 0.000 2.233 388 C CA -0.723 58.143 59.018 -0.252 0.000 1.661 388 C CB -1.116 26.572 27.740 -0.087 0.000 3.383 388 C HN 0.304 nan 8.230 nan 0.000 0.427 389 S N -0.700 114.785 115.700 -0.358 0.000 2.567 389 S HA 0.769 5.284 4.470 0.076 0.000 0.270 389 S C -1.644 172.846 174.600 -0.184 0.000 1.152 389 S CA -0.422 57.591 58.200 -0.310 0.000 0.835 389 S CB 1.579 64.540 63.200 -0.399 0.000 1.115 389 S HN 1.358 nan 8.310 nan 0.000 0.459 390 V N 0.814 120.673 119.914 -0.093 0.000 2.733 390 V HA 0.667 4.832 4.120 0.076 0.000 0.306 390 V C -1.719 174.336 176.094 -0.065 0.000 1.084 390 V CA -0.289 61.947 62.300 -0.106 0.000 0.905 390 V CB 1.823 33.548 31.823 -0.163 0.000 1.010 390 V HN 1.042 nan 8.190 nan 0.000 0.424 391 E N 5.828 125.959 120.200 -0.115 0.000 2.191 391 E HA 0.507 4.903 4.350 0.076 0.000 0.263 391 E C -1.630 174.785 176.600 -0.309 0.000 0.881 391 E CA -0.259 56.056 56.400 -0.142 0.000 0.757 391 E CB 2.122 31.813 29.700 -0.015 0.000 1.147 391 E HN 0.592 nan 8.360 nan 0.000 0.414 392 F N 2.559 122.460 119.950 -0.082 0.000 2.421 392 F HA 0.498 5.064 4.527 0.066 0.000 0.337 392 F C -0.284 175.389 175.800 -0.212 0.000 1.105 392 F CA -0.630 57.383 58.000 0.021 0.000 1.049 392 F CB 0.861 39.942 39.000 0.134 0.000 1.139 392 F HN 0.347 nan 8.300 nan 0.000 0.479 393 F N 3.216 123.490 119.950 0.540 0.000 2.529 393 F HA 0.450 5.018 4.527 0.069 0.000 0.320 393 F C -0.900 175.189 175.800 0.480 0.000 1.118 393 F CA -0.955 57.310 58.000 0.441 0.000 0.915 393 F CB 1.775 40.978 39.000 0.338 0.000 1.161 393 F HN 0.240 nan 8.300 nan 0.000 0.445 394 F N 4.418 124.632 119.950 0.439 0.000 2.499 394 F HA 0.420 4.991 4.527 0.074 0.000 0.333 394 F C 0.224 176.177 175.800 0.255 0.000 1.138 394 F CA -0.961 57.237 58.000 0.330 0.000 0.945 394 F CB 0.829 40.019 39.000 0.317 0.000 1.181 394 F HN 0.551 nan 8.300 nan 0.000 0.435 395 N N 3.767 122.246 118.700 -0.369 0.000 2.725 395 N HA -0.241 4.545 4.740 0.076 0.000 0.249 395 N C -0.472 175.016 175.510 -0.037 0.000 1.103 395 N CA 1.497 54.346 53.050 -0.335 0.000 0.707 395 N CB -1.256 36.896 38.487 -0.558 0.000 1.043 395 N HN 0.771 nan 8.380 nan 0.000 0.553 396 D N -2.431 118.018 120.400 0.081 0.000 2.737 396 D HA -0.186 4.500 4.640 0.076 0.000 0.233 396 D C 0.436 176.855 176.300 0.198 0.000 1.155 396 D CA 1.502 55.601 54.000 0.165 0.000 0.667 396 D CB -1.062 39.823 40.800 0.143 0.000 1.060 396 D HN 0.554 nan 8.370 nan 0.000 0.427 397 S N -1.642 114.164 115.700 0.177 0.000 3.325 397 S HA 0.292 4.808 4.470 0.076 0.000 0.254 397 S C 0.945 175.633 174.600 0.148 0.000 1.084 397 S CA 0.105 58.377 58.200 0.121 0.000 0.786 397 S CB 1.177 64.458 63.200 0.136 0.000 0.849 397 S HN 0.485 nan 8.310 nan 0.000 0.483 398 I N -0.908 119.828 120.570 0.276 0.000 3.042 398 I HA 0.972 5.188 4.170 0.076 0.000 0.310 398 I C -1.268 175.029 176.117 0.300 0.000 1.117 398 I CA -1.440 60.002 61.300 0.236 0.000 1.003 398 I CB 2.133 40.337 38.000 0.340 0.000 1.228 398 I HN 0.135 nan 8.210 nan 0.000 0.443 399 A N 2.775 125.642 122.820 0.079 0.000 2.475 399 A HA 0.853 5.219 4.320 0.076 0.000 0.301 399 A C -1.740 175.759 177.584 -0.142 0.000 1.059 399 A CA -0.366 51.654 52.037 -0.028 0.000 0.710 399 A CB 1.293 20.183 19.000 -0.182 0.000 1.288 399 A HN 0.580 nan 8.150 nan 0.000 0.408 400 F N 1.116 120.988 119.950 -0.129 0.000 2.477 400 F HA 0.573 5.147 4.527 0.078 0.000 0.335 400 F C 0.443 176.089 175.800 -0.257 0.000 1.130 400 F CA -0.203 57.720 58.000 -0.128 0.000 0.948 400 F CB 2.579 41.696 39.000 0.195 0.000 1.154 400 F HN 0.408 nan 8.300 nan 0.000 0.439 401 S N 3.979 119.464 115.700 -0.358 0.000 2.473 401 S HA 0.780 5.295 4.470 0.076 0.000 0.307 401 S C -1.198 173.107 174.600 -0.492 0.000 1.094 401 S CA -0.598 57.442 58.200 -0.266 0.000 1.070 401 S CB 0.847 63.980 63.200 -0.112 0.000 1.019 401 S HN 0.347 nan 8.310 nan 0.000 0.480 402 F N 1.262 121.235 119.950 0.039 0.000 2.578 402 F HA 0.519 5.090 4.527 0.073 0.000 0.311 402 F C 0.339 176.048 175.800 -0.152 0.000 1.094 402 F CA -1.100 56.898 58.000 -0.004 0.000 0.923 402 F CB 1.302 40.337 39.000 0.058 0.000 1.230 402 F HN 0.176 nan 8.300 nan 0.000 0.450 403 R N 3.477 123.943 120.500 -0.057 0.000 2.254 403 R HA 0.658 5.044 4.340 0.076 0.000 0.318 403 R C -0.633 175.357 176.300 -0.515 0.000 1.031 403 R CA -0.440 55.412 56.100 -0.413 0.000 0.905 403 R CB 1.047 30.965 30.300 -0.636 0.000 1.050 403 R HN 0.850 nan 8.270 nan 0.000 0.456 404 I N -1.167 118.968 120.570 -0.726 0.000 2.934 404 I HA 0.457 4.673 4.170 0.076 0.000 0.306 404 I C -0.452 175.027 176.117 -1.063 0.000 1.110 404 I CA -0.922 59.988 61.300 -0.650 0.000 1.019 404 I CB 2.823 40.661 38.000 -0.269 0.000 1.227 404 I HN 0.388 nan 8.210 nan 0.000 0.434 405 H N 1.791 120.714 119.070 -0.246 0.000 2.439 405 H HA 0.365 4.968 4.556 0.078 0.000 0.228 405 H C -2.698 172.697 175.328 0.111 0.000 1.423 405 H CA -1.623 54.257 56.048 -0.280 0.000 1.386 405 H CB 0.610 29.936 29.762 -0.726 0.000 1.641 405 H HN 0.384 nan 8.280 nan 0.000 0.508 406 P HA 0.046 nan 4.420 nan 0.000 0.268 406 P C 0.801 178.244 177.300 0.237 0.000 1.204 406 P CA 0.127 63.329 63.100 0.170 0.000 0.768 406 P CB 1.520 33.175 31.700 -0.074 0.000 0.842 407 E N 1.069 121.379 120.200 0.182 0.000 2.371 407 E HA -0.028 4.368 4.350 0.076 0.000 0.194 407 E C 0.026 176.653 176.600 0.045 0.000 1.012 407 E CA 0.694 57.152 56.400 0.098 0.000 0.860 407 E CB 0.046 29.804 29.700 0.095 0.000 0.811 407 E HN 0.554 nan 8.360 nan 0.000 0.502 408 N N -1.030 117.724 118.700 0.090 0.000 2.571 408 N HA 0.228 5.013 4.740 0.076 0.000 0.273 408 N C -1.366 174.221 175.510 0.128 0.000 1.340 408 N CA -0.669 52.431 53.050 0.084 0.000 0.789 408 N CB 2.343 40.884 38.487 0.090 0.000 1.514 408 N HN -0.239 nan 8.380 nan 0.000 0.499 409 V N 1.770 121.755 119.914 0.118 0.000 2.655 409 V HA -0.029 4.136 4.120 0.076 0.000 0.300 409 V C -0.375 175.902 176.094 0.305 0.000 1.044 409 V CA 0.359 62.754 62.300 0.158 0.000 1.095 409 V CB -0.256 31.646 31.823 0.131 0.000 0.952 409 V HN 0.558 nan 8.190 nan 0.000 0.485 410 Y N 5.079 125.455 120.300 0.127 0.000 2.568 410 Y HA 0.139 4.733 4.550 0.074 0.000 0.338 410 Y C 1.435 177.444 175.900 0.181 0.000 1.245 410 Y CA -0.945 57.243 58.100 0.147 0.000 1.667 410 Y CB -0.729 37.832 38.460 0.168 0.000 1.568 410 Y HN 0.805 nan 8.280 nan 0.000 0.471 411 N N 0.809 119.630 118.700 0.202 0.000 2.235 411 N HA 0.223 5.009 4.740 0.076 0.000 0.209 411 N C -0.440 175.065 175.510 -0.008 0.000 1.122 411 N CA 0.048 53.146 53.050 0.080 0.000 0.845 411 N CB 0.508 39.030 38.487 0.058 0.000 1.004 411 N HN 0.242 nan 8.380 nan 0.000 0.499 412 I N 1.359 121.923 120.570 -0.011 0.000 2.436 412 I HA 0.334 4.549 4.170 0.076 0.000 0.289 412 I C -1.324 174.756 176.117 -0.062 0.000 1.010 412 I CA -1.146 60.116 61.300 -0.063 0.000 1.098 412 I CB 2.117 40.073 38.000 -0.074 0.000 1.266 412 I HN 0.030 nan 8.210 nan 0.000 0.434 413 L N 5.984 127.160 121.223 -0.077 0.000 2.381 413 L HA 0.612 4.998 4.340 0.076 0.000 0.274 413 L C -0.570 176.309 176.870 0.016 0.000 0.988 413 L CA -0.037 54.787 54.840 -0.028 0.000 0.824 413 L CB 1.843 43.859 42.059 -0.072 0.000 1.263 413 L HN 0.569 nan 8.230 nan 0.000 0.410 414 S N 4.476 120.179 115.700 0.004 0.000 2.502 414 S HA 0.901 5.417 4.470 0.076 0.000 0.304 414 S C -1.291 173.325 174.600 0.027 0.000 1.097 414 S CA -0.449 57.739 58.200 -0.020 0.000 1.045 414 S CB 1.167 64.317 63.200 -0.084 0.000 1.019 414 S HN 0.472 nan 8.310 nan 0.000 0.481 415 V N 4.340 124.297 119.914 0.072 0.000 2.656 415 V HA 0.658 4.823 4.120 0.076 0.000 0.307 415 V C -0.482 175.628 176.094 0.027 0.000 1.051 415 V CA -0.919 61.419 62.300 0.063 0.000 0.893 415 V CB 1.770 33.681 31.823 0.147 0.000 0.999 415 V HN 0.901 nan 8.190 nan 0.000 0.426 416 K N 2.422 122.808 120.400 -0.023 0.000 2.656 416 K HA 0.732 5.098 4.320 0.076 0.000 0.241 416 K C -0.948 175.630 176.600 -0.038 0.000 0.967 416 K CA 0.012 56.284 56.287 -0.025 0.000 0.946 416 K CB 1.562 34.035 32.500 -0.044 0.000 1.164 416 K HN 0.897 nan 8.250 nan 0.000 0.459 417 S N 2.586 118.288 115.700 0.002 0.000 2.661 417 S HA 0.392 4.908 4.470 0.076 0.000 0.268 417 S C -1.940 172.699 174.600 0.065 0.000 1.162 417 S CA -0.882 57.334 58.200 0.025 0.000 0.817 417 S CB 1.184 64.389 63.200 0.008 0.000 1.141 417 S HN 0.633 nan 8.310 nan 0.000 0.477 418 N N 0.842 119.597 118.700 0.092 0.000 2.466 418 N HA 0.410 5.196 4.740 0.076 0.000 0.294 418 N C -0.936 174.644 175.510 0.117 0.000 1.129 418 N CA 0.177 53.280 53.050 0.089 0.000 0.931 418 N CB 0.865 39.396 38.487 0.073 0.000 1.193 418 N HN 0.714 nan 8.380 nan 0.000 0.500 419 Q N -1.001 118.853 119.800 0.090 0.000 2.468 419 Q HA -0.160 4.226 4.340 0.076 0.000 0.289 419 Q C -0.298 175.772 176.000 0.117 0.000 1.299 419 Q CA 0.305 56.159 55.803 0.086 0.000 0.838 419 Q CB -1.816 26.967 28.738 0.074 0.000 1.195 419 Q HN 0.481 nan 8.270 nan 0.000 0.456 420 V N -2.173 117.810 119.914 0.117 0.000 2.649 420 V HA 0.577 4.743 4.120 0.076 0.000 0.292 420 V C 0.145 176.289 176.094 0.084 0.000 1.055 420 V CA -0.270 62.111 62.300 0.134 0.000 1.023 420 V CB 1.783 33.680 31.823 0.123 0.000 0.992 420 V HN 0.247 nan 8.190 nan 0.000 0.480 421 K N 4.766 125.220 120.400 0.089 0.000 2.656 421 K HA 0.646 5.012 4.320 0.076 0.000 0.241 421 K C -1.236 175.390 176.600 0.044 0.000 0.967 421 K CA -0.153 56.155 56.287 0.035 0.000 0.946 421 K CB 1.702 34.219 32.500 0.027 0.000 1.164 421 K HN 0.880 nan 8.250 nan 0.000 0.459 422 L N 2.031 123.252 121.223 -0.003 0.000 2.365 422 L HA 0.578 4.963 4.340 0.076 0.000 0.273 422 L C -1.255 175.559 176.870 -0.093 0.000 1.000 422 L CA -0.354 54.495 54.840 0.015 0.000 0.819 422 L CB 1.625 43.732 42.059 0.079 0.000 1.284 422 L HN 0.494 nan 8.230 nan 0.000 0.418 423 E N 3.021 123.176 120.200 -0.075 0.000 2.343 423 E HA 0.655 5.051 4.350 0.076 0.000 0.270 423 E C -1.490 175.001 176.600 -0.182 0.000 0.895 423 E CA -0.605 55.656 56.400 -0.232 0.000 0.767 423 E CB 2.695 32.194 29.700 -0.336 0.000 1.248 423 E HN 0.278 nan 8.360 nan 0.000 0.440 424 V N 2.283 122.020 119.914 -0.294 0.000 2.531 424 V HA 0.496 4.662 4.120 0.076 0.000 0.301 424 V C -1.206 174.658 176.094 -0.383 0.000 1.034 424 V CA -0.756 61.423 62.300 -0.202 0.000 0.865 424 V CB 0.691 32.420 31.823 -0.157 0.000 0.995 424 V HN 0.535 nan 8.190 nan 0.000 0.424 425 F N 1.684 121.629 119.950 -0.008 0.000 2.458 425 F HA 0.473 5.038 4.527 0.064 0.000 0.336 425 F C 0.817 176.636 175.800 0.031 0.000 1.114 425 F CA -0.693 57.299 58.000 -0.014 0.000 0.987 425 F CB 1.387 40.358 39.000 -0.049 0.000 1.130 425 F HN 0.458 nan 8.300 nan 0.000 0.458 426 E N 3.578 123.897 120.200 0.199 0.000 2.414 426 E HA 0.217 4.612 4.350 0.076 0.000 0.263 426 E C -0.819 175.858 176.600 0.129 0.000 1.000 426 E CA -0.042 56.463 56.400 0.174 0.000 0.914 426 E CB 0.825 30.601 29.700 0.126 0.000 0.948 426 E HN 0.461 nan 8.360 nan 0.000 0.444 427 L N 2.567 123.842 121.223 0.087 0.000 2.317 427 L HA 0.266 4.652 4.340 0.076 0.000 0.281 427 L C 0.470 177.347 176.870 0.011 0.000 1.024 427 L CA -0.626 54.176 54.840 -0.062 0.000 0.810 427 L CB 1.433 43.276 42.059 -0.360 0.000 1.240 427 L HN 0.565 nan 8.230 nan 0.000 0.427 428 E N 3.202 123.387 120.200 -0.024 0.000 2.413 428 E HA -0.064 4.331 4.350 0.076 0.000 0.263 428 E C -0.329 176.329 176.600 0.098 0.000 1.015 428 E CA -0.278 56.143 56.400 0.034 0.000 0.916 428 E CB 0.682 30.382 29.700 0.000 0.000 0.947 428 E HN 0.471 nan 8.360 nan 0.000 0.440 429 N N 4.579 123.359 118.700 0.133 0.000 2.442 429 N HA -0.001 4.785 4.740 0.076 0.000 0.265 429 N C 0.967 176.520 175.510 0.072 0.000 1.138 429 N CA -0.054 53.097 53.050 0.169 0.000 0.956 429 N CB 0.568 39.181 38.487 0.210 0.000 1.067 429 N HN 0.584 nan 8.380 nan 0.000 0.474 430 I N 0.682 121.195 120.570 -0.095 0.000 3.251 430 I HA 0.108 4.323 4.170 0.076 0.000 0.277 430 I C 0.648 176.581 176.117 -0.307 0.000 1.268 430 I CA 0.048 61.194 61.300 -0.257 0.000 1.449 430 I CB -0.108 37.598 38.000 -0.491 0.000 1.083 430 I HN 0.407 nan 8.210 nan 0.000 0.464 431 W N 0.817 122.206 121.300 0.147 0.000 2.574 431 W HA 0.430 5.136 4.660 0.077 0.000 0.282 431 W C 0.669 177.239 176.519 0.085 0.000 1.197 431 W CA -0.292 57.119 57.345 0.111 0.000 1.376 431 W CB 0.213 29.741 29.460 0.114 0.000 1.091 431 W HN 0.081 nan 8.180 nan 0.000 0.569 432 L N 0.000 121.397 121.223 0.290 0.000 2.949 432 L HA 0.000 4.386 4.340 0.076 0.000 0.249 432 L CA 0.000 54.951 54.840 0.185 0.000 0.813 432 L CB 0.000 42.166 42.059 0.179 0.000 0.961 432 L HN 0.000 nan 8.230 nan 0.000 0.502