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 3br9_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.566 174.600 -0.056 0.000 1.055 1 S CA 0.000 58.176 58.200 -0.039 0.000 1.107 1 S CB 0.000 63.168 63.200 -0.053 0.000 0.593 2 M N 3.292 122.854 119.600 -0.064 0.000 2.227 2 M HA 0.244 4.724 4.480 0.000 0.000 0.349 2 M C 1.928 178.108 176.300 -0.200 0.000 1.443 2 M CA 0.023 55.270 55.300 -0.090 0.000 1.110 2 M CB 0.395 32.963 32.600 -0.054 0.000 1.773 2 M HN 1.040 nan 8.290 nan 0.000 0.463 3 S N 3.528 119.038 115.700 -0.317 0.000 2.374 3 S HA -0.144 4.326 4.470 0.000 0.000 0.227 3 S C 0.186 174.329 174.600 -0.762 0.000 1.037 3 S CA 1.153 59.025 58.200 -0.546 0.000 1.024 3 S CB -0.263 62.516 63.200 -0.701 0.000 0.861 3 S HN 0.634 nan 8.310 nan 0.000 0.456 4 Y N -0.045 120.062 120.300 -0.322 0.000 2.524 4 Y HA 0.573 5.124 4.550 0.000 0.000 0.347 4 Y C -0.203 175.370 175.900 -0.545 0.000 1.005 4 Y CA -0.951 56.819 58.100 -0.550 0.000 1.025 4 Y CB 2.186 40.140 38.460 -0.842 0.000 1.275 4 Y HN -0.133 nan 8.280 nan 0.000 0.460 5 T N 2.085 116.388 114.554 -0.419 0.000 2.824 5 T HA 0.406 4.756 4.350 0.000 0.000 0.282 5 T C -1.234 173.232 174.700 -0.389 0.000 0.993 5 T CA -0.741 61.192 62.100 -0.278 0.000 0.967 5 T CB 0.497 69.315 68.868 -0.084 0.000 0.960 5 T HN 0.454 nan 8.240 nan 0.000 0.441 6 W N 1.104 122.461 121.300 0.095 0.000 2.639 6 W HA 0.415 5.075 4.660 0.000 0.000 0.347 6 W C 1.501 178.050 176.519 0.050 0.000 1.067 6 W CA -0.928 56.456 57.345 0.064 0.000 1.218 6 W CB 1.160 30.640 29.460 0.033 0.000 1.393 6 W HN 0.744 nan 8.180 nan 0.000 0.557 7 T N -2.632 112.108 114.554 0.310 0.000 3.040 7 T HA 0.322 4.672 4.350 0.000 0.000 0.252 7 T C 1.425 176.213 174.700 0.146 0.000 1.064 7 T CA 0.831 63.038 62.100 0.177 0.000 1.110 7 T CB 0.095 69.044 68.868 0.135 0.000 0.921 7 T HN 1.134 nan 8.240 nan 0.000 0.480 8 G N 1.418 110.311 108.800 0.154 0.000 2.278 8 G HA2 0.029 3.989 3.960 0.000 0.000 0.210 8 G HA3 0.029 3.989 3.960 0.000 0.000 0.210 8 G C 0.404 175.326 174.900 0.038 0.000 1.000 8 G CA -0.152 44.990 45.100 0.070 0.000 0.635 8 G HN 1.103 nan 8.290 nan 0.000 0.495 9 A N 1.048 123.905 122.820 0.061 0.000 2.531 9 A HA 0.576 4.896 4.320 0.000 0.000 0.236 9 A C 0.786 178.374 177.584 0.006 0.000 1.062 9 A CA 0.381 52.440 52.037 0.038 0.000 0.760 9 A CB 0.107 19.140 19.000 0.056 0.000 0.995 9 A HN 0.926 nan 8.150 nan 0.000 0.501 10 L N 2.153 123.367 121.223 -0.015 0.000 2.395 10 L HA 0.290 4.630 4.340 0.000 0.000 0.269 10 L C 0.095 176.943 176.870 -0.036 0.000 1.133 10 L CA -0.365 54.446 54.840 -0.047 0.000 0.812 10 L CB 0.772 42.807 42.059 -0.039 0.000 1.125 10 L HN 0.564 nan 8.230 nan 0.000 0.452 11 I N 1.920 122.449 120.570 -0.068 0.000 2.452 11 I HA 0.056 4.226 4.170 0.000 0.000 0.287 11 I C 0.496 176.602 176.117 -0.018 0.000 1.079 11 I CA 0.185 61.462 61.300 -0.038 0.000 1.387 11 I CB 0.707 38.668 38.000 -0.065 0.000 1.404 11 I HN 0.652 nan 8.210 nan 0.000 0.522 12 T N 5.074 119.629 114.554 0.002 0.000 2.888 12 T HA 0.585 4.935 4.350 0.000 0.000 0.284 12 T C -2.501 172.213 174.700 0.022 0.000 1.017 12 T CA -2.131 59.974 62.100 0.008 0.000 1.022 12 T CB 1.796 70.668 68.868 0.007 0.000 1.013 12 T HN 0.237 nan 8.240 nan 0.000 0.465 13 P HA 0.321 nan 4.420 nan 0.000 0.276 13 P C 0.200 177.520 177.300 0.033 0.000 1.252 13 P CA -0.662 62.458 63.100 0.034 0.000 0.802 13 P CB 0.871 32.592 31.700 0.033 0.000 1.035 14 C N 0.609 119.933 119.300 0.039 0.000 2.519 14 C HA 0.374 4.834 4.460 0.000 0.000 0.281 14 C C 1.398 176.404 174.990 0.027 0.000 1.331 14 C CA 1.033 60.071 59.018 0.033 0.000 1.725 14 C CB -0.686 27.078 27.740 0.039 0.000 2.079 14 C HN 0.664 nan 8.230 nan 0.000 0.496 15 A N -0.144 122.695 122.820 0.031 0.000 2.386 15 A HA 0.774 5.094 4.320 0.000 0.000 0.308 15 A C -0.296 177.311 177.584 0.039 0.000 1.128 15 A CA 0.061 52.117 52.037 0.031 0.000 0.789 15 A CB 0.334 19.353 19.000 0.031 0.000 1.325 15 A HN 0.540 nan 8.150 nan 0.000 0.437 16 A N 0.405 123.249 122.820 0.040 0.000 2.520 16 A HA 0.474 4.794 4.320 0.000 0.000 0.235 16 A C 0.038 177.662 177.584 0.066 0.000 1.065 16 A CA 0.399 52.465 52.037 0.048 0.000 0.764 16 A CB -0.238 18.789 19.000 0.045 0.000 1.002 16 A HN 0.736 nan 8.150 nan 0.000 0.502 17 E N 0.880 121.126 120.200 0.076 0.000 2.199 17 E HA 0.382 4.732 4.350 0.000 0.000 0.269 17 E C -1.068 175.614 176.600 0.137 0.000 0.899 17 E CA -0.487 55.974 56.400 0.102 0.000 0.772 17 E CB 1.782 31.532 29.700 0.084 0.000 1.155 17 E HN 0.742 nan 8.360 nan 0.000 0.408 18 E N 1.006 121.332 120.200 0.210 0.000 2.197 18 E HA 0.170 4.520 4.350 0.000 0.000 0.281 18 E C 0.058 176.883 176.600 0.374 0.000 0.995 18 E CA -0.257 56.304 56.400 0.268 0.000 0.808 18 E CB 1.381 31.262 29.700 0.302 0.000 1.093 18 E HN 0.542 nan 8.360 nan 0.000 0.394 19 S N 2.192 118.080 115.700 0.313 0.000 2.506 19 S HA 0.094 4.564 4.470 0.000 0.000 0.219 19 S C 0.654 175.524 174.600 0.450 0.000 1.031 19 S CA -0.176 58.237 58.200 0.354 0.000 0.911 19 S CB 0.334 63.680 63.200 0.244 0.000 0.812 19 S HN 0.198 nan 8.310 nan 0.000 0.497 20 K N 1.824 122.415 120.400 0.318 0.000 2.143 20 K HA 0.335 4.655 4.320 0.000 0.000 0.272 20 K C -0.635 176.016 176.600 0.085 0.000 1.001 20 K CA -0.781 55.637 56.287 0.218 0.000 0.915 20 K CB 1.468 34.031 32.500 0.106 0.000 1.047 20 K HN 0.232 nan 8.250 nan 0.000 0.458 21 L N 5.435 126.698 121.223 0.068 0.000 2.660 21 L HA 0.022 4.362 4.340 0.000 0.000 0.272 21 L C -2.260 174.361 176.870 -0.414 0.000 1.194 21 L CA -0.765 53.934 54.840 -0.235 0.000 0.945 21 L CB -0.321 41.742 42.059 0.006 0.000 1.212 21 L HN 0.360 nan 8.230 nan 0.000 0.490 22 P HA 0.148 nan 4.420 nan 0.000 0.268 22 P C -0.931 176.134 177.300 -0.392 0.000 1.204 22 P CA 0.075 62.880 63.100 -0.493 0.000 0.768 22 P CB 0.450 31.794 31.700 -0.593 0.000 0.842 23 I N 3.531 123.922 120.570 -0.298 0.000 2.406 23 I HA 0.332 4.502 4.170 0.000 0.000 0.290 23 I C 0.510 176.507 176.117 -0.200 0.000 0.999 23 I CA -0.767 60.352 61.300 -0.301 0.000 1.124 23 I CB 1.203 38.996 38.000 -0.346 0.000 1.289 23 I HN 0.444 nan 8.210 nan 0.000 0.441 24 N N 4.724 123.324 118.700 -0.167 0.000 3.100 24 N HA 0.473 5.213 4.740 0.000 0.000 0.344 24 N C 0.453 175.914 175.510 -0.082 0.000 1.413 24 N CA -0.466 52.516 53.050 -0.113 0.000 0.752 24 N CB 0.625 39.048 38.487 -0.106 0.000 1.519 24 N HN 0.373 nan 8.380 nan 0.000 0.620 25 A N -0.717 122.067 122.820 -0.060 0.000 2.168 25 A HA 0.171 4.491 4.320 0.000 0.000 0.215 25 A C 1.753 179.316 177.584 -0.034 0.000 1.152 25 A CA 0.634 52.646 52.037 -0.041 0.000 0.716 25 A CB -0.880 18.099 19.000 -0.036 0.000 0.794 25 A HN 0.548 nan 8.150 nan 0.000 0.465 26 L N -1.416 119.783 121.223 -0.040 0.000 2.416 26 L HA 0.026 4.366 4.340 0.000 0.000 0.216 26 L C 2.460 179.358 176.870 0.047 0.000 1.098 26 L CA 0.524 55.354 54.840 -0.017 0.000 0.840 26 L CB -0.349 41.669 42.059 -0.068 0.000 0.981 26 L HN 0.196 nan 8.230 nan 0.000 0.462 27 S N 0.936 116.639 115.700 0.005 0.000 2.368 27 S HA -0.190 4.280 4.470 0.000 0.000 0.226 27 S C 1.728 176.393 174.600 0.109 0.000 1.044 27 S CA 1.811 60.020 58.200 0.016 0.000 1.062 27 S CB -0.340 62.781 63.200 -0.132 0.000 0.931 27 S HN 0.476 nan 8.310 nan 0.000 0.440 28 N N 1.401 120.171 118.700 0.117 0.000 2.289 28 N HA -0.052 4.688 4.740 0.000 0.000 0.184 28 N C 1.892 177.437 175.510 0.057 0.000 1.016 28 N CA 1.247 54.372 53.050 0.125 0.000 0.872 28 N CB -0.543 37.999 38.487 0.091 0.000 0.973 28 N HN 0.593 nan 8.380 nan 0.000 0.433 29 S N -0.038 115.700 115.700 0.062 0.000 2.423 29 S HA -0.060 4.410 4.470 0.000 0.000 0.231 29 S C 1.854 176.510 174.600 0.093 0.000 1.014 29 S CA 0.476 58.698 58.200 0.038 0.000 0.965 29 S CB -0.287 62.950 63.200 0.061 0.000 0.785 29 S HN 0.199 nan 8.310 nan 0.000 0.495 30 L N -0.004 121.289 121.223 0.116 0.000 2.145 30 L HA 0.565 4.905 4.340 0.000 0.000 0.201 30 L C 0.224 177.148 176.870 0.090 0.000 1.075 30 L CA 1.121 55.986 54.840 0.042 0.000 0.773 30 L CB -0.103 41.736 42.059 -0.367 0.000 0.936 30 L HN 0.479 nan 8.230 nan 0.000 0.451 31 L N -1.323 119.940 121.223 0.067 0.000 2.526 31 L HA 0.410 4.750 4.340 0.000 0.000 0.263 31 L C 0.437 177.296 176.870 -0.017 0.000 0.943 31 L CA -0.331 54.531 54.840 0.036 0.000 0.859 31 L CB 1.526 43.651 42.059 0.110 0.000 1.313 31 L HN -0.115 nan 8.230 nan 0.000 0.406 32 R N 1.008 121.359 120.500 -0.248 0.000 2.225 32 R HA 0.201 4.541 4.340 0.000 0.000 0.194 32 R C -0.132 175.802 176.300 -0.609 0.000 0.957 32 R CA 0.279 56.101 56.100 -0.463 0.000 1.042 32 R CB 0.145 30.224 30.300 -0.369 0.000 1.004 32 R HN 0.666 nan 8.270 nan 0.000 0.509 33 H N 0.546 119.474 119.070 -0.236 0.000 2.745 33 H HA 0.136 4.692 4.556 0.000 0.000 0.235 33 H C 0.543 175.850 175.328 -0.036 0.000 1.815 33 H CA -0.209 55.751 56.048 -0.148 0.000 1.321 33 H CB -0.054 29.683 29.762 -0.042 0.000 1.716 33 H HN 0.289 nan 8.280 nan 0.000 0.546 34 H N 0.715 119.873 119.070 0.147 0.000 2.456 34 H HA -0.146 4.410 4.556 0.000 0.000 0.296 34 H C 1.643 177.047 175.328 0.126 0.000 1.079 34 H CA 0.979 57.091 56.048 0.107 0.000 1.322 34 H CB 0.310 30.109 29.762 0.062 0.000 1.388 34 H HN 0.637 nan 8.280 nan 0.000 0.538 35 N N 0.439 119.271 118.700 0.220 0.000 2.550 35 N HA -0.100 4.640 4.740 0.000 0.000 0.186 35 N C 1.200 176.819 175.510 0.181 0.000 1.110 35 N CA 0.700 53.852 53.050 0.170 0.000 0.912 35 N CB -0.094 38.456 38.487 0.106 0.000 0.968 35 N HN 0.292 nan 8.380 nan 0.000 0.448 36 M N 0.055 119.775 119.600 0.199 0.000 2.558 36 M HA 0.171 4.651 4.480 0.000 0.000 0.255 36 M C -0.117 176.356 176.300 0.289 0.000 1.113 36 M CA 0.213 55.638 55.300 0.208 0.000 1.097 36 M CB 0.003 32.712 32.600 0.182 0.000 1.426 36 M HN -0.076 nan 8.290 nan 0.000 0.488 37 V N 1.473 121.568 119.914 0.303 0.000 2.435 37 V HA 0.369 4.489 4.120 0.000 0.000 0.290 37 V C -0.747 175.608 176.094 0.435 0.000 1.030 37 V CA -0.822 61.670 62.300 0.320 0.000 0.881 37 V CB 1.038 33.029 31.823 0.279 0.000 0.983 37 V HN 0.383 nan 8.190 nan 0.000 0.445 38 Y N 2.559 123.023 120.300 0.273 0.000 2.588 38 Y HA 0.924 5.474 4.550 0.000 0.000 0.343 38 Y C -0.390 175.608 175.900 0.164 0.000 1.065 38 Y CA -1.511 56.758 58.100 0.282 0.000 1.038 38 Y CB 1.533 40.113 38.460 0.201 0.000 1.297 38 Y HN 0.696 nan 8.280 nan 0.000 0.467 39 A N 1.478 124.368 122.820 0.118 0.000 2.324 39 A HA 0.675 4.995 4.320 0.000 0.000 0.330 39 A C -0.033 177.642 177.584 0.152 0.000 1.165 39 A CA -0.355 51.550 52.037 -0.219 0.000 0.813 39 A CB 0.338 18.983 19.000 -0.592 0.000 1.197 39 A HN 1.051 nan 8.150 nan 0.000 0.484 40 T N 0.064 114.697 114.554 0.132 0.000 2.918 40 T HA 0.549 4.899 4.350 0.000 0.000 0.302 40 T C 0.381 175.148 174.700 0.112 0.000 1.045 40 T CA 0.379 62.615 62.100 0.227 0.000 1.114 40 T CB 0.741 69.762 68.868 0.255 0.000 0.965 40 T HN 1.448 nan 8.240 nan 0.000 0.540 41 T N -2.124 112.496 114.554 0.111 0.000 2.812 41 T HA 0.475 4.825 4.350 0.000 0.000 0.294 41 T C 1.391 176.125 174.700 0.055 0.000 1.159 41 T CA -0.237 61.908 62.100 0.074 0.000 1.008 41 T CB 1.203 70.121 68.868 0.083 0.000 1.289 41 T HN 0.750 nan 8.240 nan 0.000 0.514 42 S N 0.099 115.823 115.700 0.040 0.000 2.440 42 S HA -0.153 4.317 4.470 0.000 0.000 0.238 42 S C 1.878 176.481 174.600 0.005 0.000 1.010 42 S CA 0.762 58.973 58.200 0.018 0.000 0.972 42 S CB -0.641 62.568 63.200 0.016 0.000 0.774 42 S HN 0.687 nan 8.310 nan 0.000 0.501 43 R N 1.967 122.478 120.500 0.018 0.000 2.241 43 R HA 0.033 4.373 4.340 0.000 0.000 0.224 43 R C 2.139 178.436 176.300 -0.006 0.000 1.101 43 R CA 1.240 57.345 56.100 0.008 0.000 0.995 43 R CB -0.475 29.838 30.300 0.022 0.000 0.870 43 R HN 0.705 nan 8.270 nan 0.000 0.463 44 S N -2.263 113.438 115.700 0.001 0.000 2.578 44 S HA 0.305 4.775 4.470 0.000 0.000 0.231 44 S C 1.653 176.233 174.600 -0.034 0.000 0.994 44 S CA 0.049 58.242 58.200 -0.012 0.000 0.956 44 S CB 0.841 64.048 63.200 0.012 0.000 0.870 44 S HN 0.213 nan 8.310 nan 0.000 0.494 45 A N 2.006 124.797 122.820 -0.048 0.000 1.940 45 A HA 0.164 4.484 4.320 0.000 0.000 0.219 45 A C 2.234 179.717 177.584 -0.169 0.000 1.176 45 A CA 1.624 53.606 52.037 -0.091 0.000 0.631 45 A CB -1.633 17.311 19.000 -0.093 0.000 0.814 45 A HN 0.682 nan 8.150 nan 0.000 0.446 46 G N -0.425 108.276 108.800 -0.165 0.000 2.422 46 G HA2 -0.112 3.848 3.960 0.000 0.000 0.218 46 G HA3 -0.112 3.848 3.960 0.000 0.000 0.218 46 G C 1.364 176.162 174.900 -0.169 0.000 1.146 46 G CA 1.183 46.156 45.100 -0.211 0.000 0.769 46 G HN 0.369 nan 8.290 nan 0.000 0.547 47 L N 0.235 121.396 121.223 -0.103 0.000 2.056 47 L HA 0.093 4.433 4.340 0.000 0.000 0.207 47 L C 2.756 179.594 176.870 -0.053 0.000 1.078 47 L CA 1.411 56.212 54.840 -0.065 0.000 0.749 47 L CB -0.650 41.384 42.059 -0.042 0.000 0.901 47 L HN 0.156 nan 8.230 nan 0.000 0.433 48 R N -0.231 120.233 120.500 -0.060 0.000 2.081 48 R HA -0.156 4.184 4.340 0.000 0.000 0.235 48 R C 2.227 178.493 176.300 -0.056 0.000 1.131 48 R CA 1.527 57.608 56.100 -0.032 0.000 0.960 48 R CB -0.407 29.879 30.300 -0.024 0.000 0.856 48 R HN 0.444 nan 8.270 nan 0.000 0.436 49 Q N 0.115 119.797 119.800 -0.196 0.000 2.077 49 Q HA -0.206 4.134 4.340 0.000 0.000 0.206 49 Q C 2.023 177.988 176.000 -0.059 0.000 0.989 49 Q CA 2.310 57.925 55.803 -0.313 0.000 0.853 49 Q CB -0.145 28.060 28.738 -0.888 0.000 0.907 49 Q HN 0.348 nan 8.270 nan 0.000 0.418 50 K N 0.759 121.119 120.400 -0.066 0.000 2.009 50 K HA -0.208 4.112 4.320 0.000 0.000 0.210 50 K C 2.099 178.779 176.600 0.133 0.000 1.049 50 K CA 1.433 57.746 56.287 0.044 0.000 0.929 50 K CB -0.156 32.350 32.500 0.010 0.000 0.714 50 K HN 0.007 nan 8.250 nan 0.000 0.440 51 K N 0.668 121.133 120.400 0.109 0.000 2.044 51 K HA -0.164 4.156 4.320 0.000 0.000 0.210 51 K C 1.920 178.707 176.600 0.311 0.000 1.049 51 K CA 1.849 58.235 56.287 0.165 0.000 0.927 51 K CB -0.081 32.488 32.500 0.115 0.000 0.713 51 K HN 0.184 nan 8.250 nan 0.000 0.443 52 V N -1.993 118.089 119.914 0.280 0.000 3.573 52 V HA 0.070 4.190 4.120 0.000 0.000 0.270 52 V C 0.215 176.473 176.094 0.275 0.000 1.221 52 V CA 0.442 62.952 62.300 0.349 0.000 1.163 52 V CB 0.101 32.091 31.823 0.278 0.000 0.847 52 V HN 0.010 nan 8.190 nan 0.000 0.468 53 T N 4.440 119.201 114.554 0.347 0.000 2.832 53 T HA 0.694 5.044 4.350 0.000 0.000 0.313 53 T C -0.718 174.140 174.700 0.264 0.000 1.035 53 T CA -0.047 62.228 62.100 0.292 0.000 0.950 53 T CB -0.183 68.964 68.868 0.465 0.000 0.984 53 T HN 0.622 nan 8.240 nan 0.000 0.486 54 F N -0.358 119.691 119.950 0.165 0.000 2.741 54 F HA 0.682 5.209 4.527 -0.000 0.000 0.313 54 F C -1.007 174.826 175.800 0.054 0.000 1.153 54 F CA -1.714 56.344 58.000 0.097 0.000 0.931 54 F CB 0.844 39.893 39.000 0.082 0.000 1.335 54 F HN 0.122 nan 8.300 nan 0.000 0.460 55 D N 0.941 121.523 120.400 0.302 0.000 2.264 55 D HA 0.401 5.041 4.640 0.000 0.000 0.250 55 D C -0.849 175.590 176.300 0.232 0.000 1.113 55 D CA -0.092 54.007 54.000 0.164 0.000 0.871 55 D CB 0.861 41.727 40.800 0.111 0.000 1.167 55 D HN 0.521 nan 8.370 nan 0.000 0.447 56 R N 2.750 123.327 120.500 0.128 0.000 2.294 56 R HA 0.552 4.892 4.340 0.000 0.000 0.319 56 R C -0.626 175.708 176.300 0.056 0.000 0.984 56 R CA -0.462 55.714 56.100 0.127 0.000 0.861 56 R CB 0.998 31.345 30.300 0.077 0.000 1.104 56 R HN 0.405 nan 8.270 nan 0.000 0.451 57 L N 1.921 123.172 121.223 0.047 0.000 2.334 57 L HA 0.544 4.884 4.340 0.000 0.000 0.273 57 L C -0.249 176.621 176.870 0.001 0.000 1.013 57 L CA -0.776 54.072 54.840 0.013 0.000 0.816 57 L CB 1.933 43.996 42.059 0.006 0.000 1.278 57 L HN 0.454 nan 8.230 nan 0.000 0.431 58 Q N 1.391 121.180 119.800 -0.018 0.000 2.289 58 Q HA 0.560 4.900 4.340 0.000 0.000 0.270 58 Q C -1.859 174.113 176.000 -0.047 0.000 1.038 58 Q CA -0.470 55.314 55.803 -0.032 0.000 0.812 58 Q CB 3.073 31.779 28.738 -0.053 0.000 1.300 58 Q HN 0.398 nan 8.270 nan 0.000 0.427 59 V N 5.368 125.259 119.914 -0.037 0.000 2.409 59 V HA 0.434 4.554 4.120 0.000 0.000 0.290 59 V C -0.773 175.317 176.094 -0.007 0.000 1.017 59 V CA -0.517 61.759 62.300 -0.040 0.000 0.841 59 V CB 1.531 33.326 31.823 -0.046 0.000 1.003 59 V HN 0.690 nan 8.190 nan 0.000 0.426 60 L N 5.849 127.027 121.223 -0.075 0.000 2.305 60 L HA 0.636 4.976 4.340 0.000 0.000 0.284 60 L C -0.242 176.634 176.870 0.009 0.000 1.013 60 L CA -0.513 54.238 54.840 -0.148 0.000 0.819 60 L CB 1.701 43.489 42.059 -0.453 0.000 1.227 60 L HN 0.693 nan 8.230 nan 0.000 0.417 61 D N 0.788 121.276 120.400 0.148 0.000 2.592 61 D HA 0.147 4.787 4.640 0.000 0.000 0.259 61 D C 0.171 176.547 176.300 0.126 0.000 1.144 61 D CA -0.577 53.494 54.000 0.118 0.000 1.080 61 D CB 1.057 41.936 40.800 0.132 0.000 1.225 61 D HN 0.326 nan 8.370 nan 0.000 0.619 62 D N -1.026 119.386 120.400 0.021 0.000 2.144 62 D HA -0.148 4.492 4.640 0.000 0.000 0.200 62 D C 1.770 178.076 176.300 0.010 0.000 0.978 62 D CA 1.047 55.036 54.000 -0.018 0.000 0.833 62 D CB -0.087 40.648 40.800 -0.110 0.000 0.961 62 D HN 0.424 nan 8.370 nan 0.000 0.470 63 H N -0.025 119.113 119.070 0.114 0.000 2.352 63 H HA -0.175 4.381 4.556 0.000 0.000 0.299 63 H C 2.059 177.430 175.328 0.071 0.000 1.097 63 H CA 1.063 57.169 56.048 0.096 0.000 1.311 63 H CB -0.747 29.091 29.762 0.126 0.000 1.377 63 H HN 0.333 nan 8.280 nan 0.000 0.504 64 Y N 1.881 122.227 120.300 0.078 0.000 2.128 64 Y HA -0.240 4.310 4.550 -0.000 0.000 0.284 64 Y C 2.723 178.572 175.900 -0.086 0.000 1.154 64 Y CA 1.705 59.721 58.100 -0.140 0.000 1.149 64 Y CB -0.117 38.164 38.460 -0.299 0.000 0.976 64 Y HN -0.046 nan 8.280 nan 0.000 0.505 65 R N 0.025 120.600 120.500 0.124 0.000 2.115 65 R HA -0.136 4.204 4.340 0.000 0.000 0.230 65 R C 1.765 178.042 176.300 -0.038 0.000 1.111 65 R CA 1.368 57.483 56.100 0.025 0.000 0.976 65 R CB -0.262 30.095 30.300 0.095 0.000 0.870 65 R HN 0.424 nan 8.270 nan 0.000 0.445 66 D N 0.093 120.491 120.400 -0.002 0.000 2.097 66 D HA -0.121 4.519 4.640 0.000 0.000 0.195 66 D C 1.977 178.260 176.300 -0.028 0.000 0.989 66 D CA 1.061 55.062 54.000 0.002 0.000 0.827 66 D CB -0.252 40.577 40.800 0.049 0.000 0.966 66 D HN -0.025 nan 8.370 nan 0.000 0.456 67 V N 1.227 121.108 119.914 -0.056 0.000 2.332 67 V HA -0.225 3.895 4.120 0.000 0.000 0.248 67 V C 2.499 178.523 176.094 -0.116 0.000 1.055 67 V CA 1.196 63.445 62.300 -0.085 0.000 1.038 67 V CB -0.486 31.253 31.823 -0.140 0.000 0.651 67 V HN 0.137 nan 8.190 nan 0.000 0.450 68 L N 0.296 121.384 121.223 -0.225 0.000 2.046 68 L HA -0.156 4.184 4.340 0.000 0.000 0.208 68 L C 2.397 179.196 176.870 -0.117 0.000 1.077 68 L CA 2.160 56.862 54.840 -0.229 0.000 0.747 68 L CB -0.780 41.057 42.059 -0.370 0.000 0.896 68 L HN 0.232 nan 8.230 nan 0.000 0.432 69 K N -0.381 119.970 120.400 -0.082 0.000 2.044 69 K HA -0.234 4.086 4.320 0.000 0.000 0.210 69 K C 1.959 178.541 176.600 -0.031 0.000 1.049 69 K CA 2.104 58.364 56.287 -0.044 0.000 0.927 69 K CB -0.128 32.357 32.500 -0.026 0.000 0.713 69 K HN 0.531 nan 8.250 nan 0.000 0.443 70 E N 0.044 120.232 120.200 -0.021 0.000 2.077 70 E HA -0.211 4.139 4.350 0.000 0.000 0.193 70 E C 2.121 178.718 176.600 -0.005 0.000 0.989 70 E CA 1.594 57.992 56.400 -0.002 0.000 0.800 70 E CB -0.111 29.601 29.700 0.019 0.000 0.746 70 E HN 0.365 nan 8.360 nan 0.000 0.452 71 M N 0.706 120.300 119.600 -0.009 0.000 2.117 71 M HA -0.176 4.304 4.480 0.000 0.000 0.262 71 M C 2.219 178.488 176.300 -0.051 0.000 1.065 71 M CA 1.471 56.755 55.300 -0.026 0.000 1.114 71 M CB -0.175 32.408 32.600 -0.028 0.000 1.361 71 M HN -0.049 nan 8.290 nan 0.000 0.408 72 K N 0.338 120.707 120.400 -0.053 0.000 2.063 72 K HA -0.134 4.186 4.320 0.000 0.000 0.208 72 K C 2.127 178.708 176.600 -0.031 0.000 1.048 72 K CA 1.515 57.774 56.287 -0.047 0.000 0.928 72 K CB -0.322 32.150 32.500 -0.047 0.000 0.713 72 K HN 0.318 nan 8.250 nan 0.000 0.442 73 A N 1.827 124.632 122.820 -0.025 0.000 1.908 73 A HA -0.240 4.080 4.320 0.000 0.000 0.218 73 A C 1.929 179.501 177.584 -0.020 0.000 1.181 73 A CA 1.796 53.823 52.037 -0.017 0.000 0.627 73 A CB -0.337 18.656 19.000 -0.010 0.000 0.818 73 A HN 0.220 nan 8.150 nan 0.000 0.445 74 K N -0.429 119.955 120.400 -0.027 0.000 2.057 74 K HA 0.045 4.365 4.320 0.000 0.000 0.206 74 K C 2.242 178.817 176.600 -0.042 0.000 1.050 74 K CA 1.033 57.298 56.287 -0.036 0.000 0.935 74 K CB -0.302 32.168 32.500 -0.050 0.000 0.715 74 K HN 0.429 nan 8.250 nan 0.000 0.439 75 A N 1.299 124.092 122.820 -0.045 0.000 1.972 75 A HA -0.163 4.157 4.320 0.000 0.000 0.219 75 A C 2.091 179.664 177.584 -0.018 0.000 1.169 75 A CA 1.937 53.952 52.037 -0.036 0.000 0.635 75 A CB -0.651 18.329 19.000 -0.034 0.000 0.810 75 A HN 0.379 nan 8.150 nan 0.000 0.446 76 S N -0.181 115.510 115.700 -0.015 0.000 2.507 76 S HA -0.115 4.355 4.470 0.000 0.000 0.235 76 S C 1.663 176.259 174.600 -0.007 0.000 0.988 76 S CA 1.693 59.889 58.200 -0.007 0.000 0.944 76 S CB -1.043 62.153 63.200 -0.006 0.000 0.762 76 S HN 0.786 nan 8.310 nan 0.000 0.526 77 T N -0.899 113.647 114.554 -0.014 0.000 3.100 77 T HA 0.291 4.641 4.350 0.000 0.000 0.253 77 T C 0.455 175.147 174.700 -0.014 0.000 1.118 77 T CA -0.146 61.946 62.100 -0.013 0.000 1.058 77 T CB -0.379 68.479 68.868 -0.016 0.000 0.953 77 T HN 0.163 nan 8.240 nan 0.000 0.515 78 V N 2.222 122.127 119.914 -0.016 0.000 2.530 78 V HA 0.372 4.492 4.120 0.000 0.000 0.282 78 V C 0.140 176.231 176.094 -0.005 0.000 1.048 78 V CA -0.732 61.557 62.300 -0.018 0.000 0.997 78 V CB 1.147 32.955 31.823 -0.026 0.000 0.987 78 V HN 0.427 nan 8.190 nan 0.000 0.477 79 K N 3.917 124.314 120.400 -0.005 0.000 2.323 79 K HA 0.783 5.103 4.320 0.000 0.000 0.259 79 K C -0.724 175.878 176.600 0.003 0.000 0.947 79 K CA -0.419 55.870 56.287 0.003 0.000 0.819 79 K CB 1.621 34.124 32.500 0.005 0.000 1.109 79 K HN 0.815 nan 8.250 nan 0.000 0.429 80 A N 3.656 126.483 122.820 0.010 0.000 2.454 80 A HA 0.571 4.891 4.320 0.000 0.000 0.302 80 A C -1.467 176.132 177.584 0.026 0.000 1.079 80 A CA -0.990 51.054 52.037 0.012 0.000 0.731 80 A CB 1.169 20.170 19.000 0.001 0.000 1.299 80 A HN 0.841 nan 8.150 nan 0.000 0.413 81 K N 1.293 121.712 120.400 0.032 0.000 2.208 81 K HA 0.759 5.079 4.320 0.000 0.000 0.247 81 K C -1.077 175.549 176.600 0.045 0.000 0.953 81 K CA -0.662 55.647 56.287 0.035 0.000 0.837 81 K CB 1.368 33.884 32.500 0.027 0.000 1.131 81 K HN 0.509 nan 8.250 nan 0.000 0.431 82 L N 2.577 123.822 121.223 0.036 0.000 2.453 82 L HA 0.069 4.409 4.340 0.000 0.000 0.272 82 L C -0.119 176.732 176.870 -0.031 0.000 1.182 82 L CA -0.711 54.137 54.840 0.012 0.000 0.858 82 L CB 0.249 42.303 42.059 -0.009 0.000 1.120 82 L HN 0.509 nan 8.230 nan 0.000 0.474 83 L N 2.495 123.683 121.223 -0.057 0.000 2.418 83 L HA 0.202 4.542 4.340 0.000 0.000 0.265 83 L C 0.614 177.371 176.870 -0.188 0.000 1.143 83 L CA 0.376 55.158 54.840 -0.097 0.000 0.809 83 L CB 1.463 43.463 42.059 -0.097 0.000 1.124 83 L HN 0.734 nan 8.230 nan 0.000 0.456 84 S N 0.867 116.468 115.700 -0.165 0.000 2.614 84 S HA 0.226 4.696 4.470 0.000 0.000 0.265 84 S C 1.280 175.737 174.600 -0.238 0.000 1.303 84 S CA -0.694 57.390 58.200 -0.193 0.000 1.000 84 S CB 0.828 63.952 63.200 -0.128 0.000 0.935 84 S HN 0.327 nan 8.310 nan 0.000 0.551 85 V N 1.578 121.327 119.914 -0.274 0.000 2.392 85 V HA -0.175 3.945 4.120 0.000 0.000 0.249 85 V C 2.576 178.553 176.094 -0.195 0.000 1.059 85 V CA 2.390 64.514 62.300 -0.294 0.000 1.051 85 V CB -1.334 30.280 31.823 -0.349 0.000 0.658 85 V HN 0.852 nan 8.190 nan 0.000 0.455 86 E N 0.120 120.231 120.200 -0.148 0.000 2.047 86 E HA -0.177 4.173 4.350 0.000 0.000 0.191 86 E C 2.238 178.765 176.600 -0.121 0.000 0.987 86 E CA 1.343 57.675 56.400 -0.114 0.000 0.799 86 E CB -0.277 29.372 29.700 -0.085 0.000 0.752 86 E HN 0.663 nan 8.360 nan 0.000 0.449 87 E N 0.234 120.356 120.200 -0.130 0.000 2.077 87 E HA -0.172 4.178 4.350 0.000 0.000 0.193 87 E C 2.016 178.503 176.600 -0.187 0.000 0.989 87 E CA 0.999 57.314 56.400 -0.142 0.000 0.800 87 E CB -0.162 29.459 29.700 -0.132 0.000 0.746 87 E HN 0.267 nan 8.360 nan 0.000 0.452 88 A N 0.665 123.371 122.820 -0.190 0.000 1.898 88 A HA -0.182 4.138 4.320 0.000 0.000 0.216 88 A C 2.408 179.894 177.584 -0.163 0.000 1.181 88 A CA 1.093 53.012 52.037 -0.196 0.000 0.620 88 A CB -0.833 18.063 19.000 -0.172 0.000 0.819 88 A HN 0.363 nan 8.150 nan 0.000 0.442 89 C N 0.054 119.271 119.300 -0.140 0.000 2.413 89 C HA -0.075 4.385 4.460 0.000 0.000 0.276 89 C C 2.462 177.382 174.990 -0.116 0.000 1.248 89 C CA 1.303 60.254 59.018 -0.111 0.000 1.742 89 C CB -0.728 26.950 27.740 -0.102 0.000 2.017 89 C HN 0.510 nan 8.230 nan 0.000 0.481 90 K N 1.011 121.338 120.400 -0.122 0.000 2.439 90 K HA 0.098 4.418 4.320 0.000 0.000 0.197 90 K C 1.308 177.846 176.600 -0.102 0.000 1.041 90 K CA 0.721 56.945 56.287 -0.105 0.000 0.970 90 K CB -0.426 32.024 32.500 -0.083 0.000 0.773 90 K HN 0.539 nan 8.250 nan 0.000 0.479 91 L N 1.106 122.235 121.223 -0.157 0.000 2.591 91 L HA 0.041 4.381 4.340 0.000 0.000 0.228 91 L C 0.268 177.052 176.870 -0.144 0.000 1.133 91 L CA 0.114 54.839 54.840 -0.191 0.000 0.880 91 L CB -0.200 41.638 42.059 -0.368 0.000 1.033 91 L HN -0.108 nan 8.230 nan 0.000 0.450 92 T N 1.559 116.036 114.554 -0.129 0.000 2.780 92 T HA 0.223 4.573 4.350 0.000 0.000 0.294 92 T C -2.317 172.267 174.700 -0.194 0.000 0.949 92 T CA -1.212 60.813 62.100 -0.125 0.000 1.074 92 T CB 1.018 69.827 68.868 -0.098 0.000 0.910 92 T HN -0.166 nan 8.240 nan 0.000 0.501 93 P HA 0.070 nan 4.420 nan 0.000 0.264 93 P C -1.893 175.184 177.300 -0.370 0.000 1.183 93 P CA -1.085 61.870 63.100 -0.242 0.000 0.763 93 P CB 0.169 31.817 31.700 -0.088 0.000 0.807 94 P HA -0.154 nan 4.420 nan 0.000 0.219 94 P C 0.528 177.578 177.300 -0.416 0.000 1.146 94 P CA 1.615 64.377 63.100 -0.563 0.000 0.808 94 P CB -0.058 31.183 31.700 -0.764 0.000 0.779 95 H N -2.286 116.704 119.070 -0.133 0.000 2.487 95 H HA 0.254 4.810 4.556 0.000 0.000 0.290 95 H C 0.420 175.694 175.328 -0.090 0.000 1.081 95 H CA -0.410 55.585 56.048 -0.088 0.000 1.116 95 H CB -0.271 29.454 29.762 -0.062 0.000 1.560 95 H HN 0.034 nan 8.280 nan 0.000 0.548 96 S N 1.273 116.954 115.700 -0.032 0.000 2.552 96 S HA 0.270 4.740 4.470 0.000 0.000 0.289 96 S C 0.764 175.331 174.600 -0.055 0.000 1.304 96 S CA -0.421 57.739 58.200 -0.066 0.000 1.063 96 S CB 0.280 63.434 63.200 -0.077 0.000 0.848 96 S HN 0.505 nan 8.310 nan 0.000 0.499 97 A N 5.461 128.218 122.820 -0.106 0.000 2.584 97 A HA 0.181 4.501 4.320 0.000 0.000 0.239 97 A C 0.798 178.372 177.584 -0.016 0.000 1.043 97 A CA 0.008 52.009 52.037 -0.060 0.000 0.756 97 A CB -0.168 18.776 19.000 -0.093 0.000 0.963 97 A HN 0.912 nan 8.150 nan 0.000 0.511 98 K N 2.373 122.760 120.400 -0.022 0.000 2.286 98 K HA 0.232 4.552 4.320 0.000 0.000 0.256 98 K C 0.320 176.839 176.600 -0.136 0.000 0.999 98 K CA 0.088 56.329 56.287 -0.076 0.000 0.908 98 K CB 0.342 32.800 32.500 -0.070 0.000 0.981 98 K HN 0.448 nan 8.250 nan 0.000 0.500 99 S N 0.136 115.625 115.700 -0.352 0.000 2.585 99 S HA 0.059 4.529 4.470 0.000 0.000 0.273 99 S C 0.646 175.051 174.600 -0.325 0.000 1.339 99 S CA -0.535 57.410 58.200 -0.424 0.000 1.028 99 S CB 0.554 63.077 63.200 -1.128 0.000 0.906 99 S HN 0.629 nan 8.310 nan 0.000 0.528 100 K N 2.279 122.490 120.400 -0.316 0.000 2.525 100 K HA 0.020 4.341 4.320 0.000 0.000 0.192 100 K C -0.252 175.928 176.600 -0.701 0.000 1.029 100 K CA 0.771 56.765 56.287 -0.490 0.000 1.029 100 K CB -0.089 32.044 32.500 -0.610 0.000 0.814 100 K HN 0.562 nan 8.250 nan 0.000 0.503 101 F N 0.987 120.763 119.950 -0.289 0.000 2.925 101 F HA 0.245 4.772 4.527 0.000 0.000 0.302 101 F C 0.881 176.614 175.800 -0.112 0.000 1.189 101 F CA -0.653 57.204 58.000 -0.238 0.000 1.346 101 F CB 0.410 39.135 39.000 -0.458 0.000 0.954 101 F HN 0.022 nan 8.300 nan 0.000 0.506 102 G N 1.581 110.348 108.800 -0.055 0.000 2.367 102 G HA2 -0.246 3.714 3.960 0.000 0.000 0.295 102 G HA3 -0.246 3.714 3.960 0.000 0.000 0.295 102 G C -0.646 174.354 174.900 0.166 0.000 1.019 102 G CA 0.576 45.693 45.100 0.029 0.000 1.224 102 G HN 0.739 nan 8.290 nan 0.000 0.510 103 Y N -2.785 117.517 120.300 0.004 0.000 2.765 103 Y HA 0.660 5.210 4.550 -0.000 0.000 0.350 103 Y C 0.182 176.092 175.900 0.017 0.000 1.196 103 Y CA -0.932 57.175 58.100 0.012 0.000 1.119 103 Y CB 0.202 38.674 38.460 0.019 0.000 1.368 103 Y HN 0.946 nan 8.280 nan 0.000 0.463 104 G N -0.096 108.823 108.800 0.198 0.000 3.042 104 G HA2 0.600 4.560 3.960 0.000 0.000 0.278 104 G HA3 0.600 4.560 3.960 0.000 0.000 0.278 104 G C 0.164 175.141 174.900 0.128 0.000 1.371 104 G CA -0.740 44.407 45.100 0.078 0.000 1.009 104 G HN 1.331 nan 8.290 nan 0.000 0.523 105 A N -0.257 122.591 122.820 0.046 0.000 1.902 105 A HA -0.008 4.312 4.320 0.000 0.000 0.217 105 A C 2.236 179.808 177.584 -0.019 0.000 1.181 105 A CA 2.181 54.222 52.037 0.007 0.000 0.623 105 A CB -0.438 18.532 19.000 -0.049 0.000 0.818 105 A HN 0.525 nan 8.150 nan 0.000 0.443 106 K N 0.359 120.746 120.400 -0.021 0.000 2.057 106 K HA -0.124 4.196 4.320 0.000 0.000 0.207 106 K C 1.577 178.169 176.600 -0.013 0.000 1.049 106 K CA 1.581 57.844 56.287 -0.040 0.000 0.931 106 K CB -0.251 32.233 32.500 -0.027 0.000 0.714 106 K HN 0.477 nan 8.250 nan 0.000 0.440 107 D N -0.006 120.415 120.400 0.035 0.000 2.123 107 D HA -0.156 4.484 4.640 0.000 0.000 0.196 107 D C 1.886 178.189 176.300 0.005 0.000 0.992 107 D CA 1.085 55.108 54.000 0.038 0.000 0.833 107 D CB -0.272 40.593 40.800 0.108 0.000 0.954 107 D HN -0.039 nan 8.370 nan 0.000 0.455 108 V N 1.170 121.106 119.914 0.037 0.000 2.270 108 V HA -0.222 3.898 4.120 0.000 0.000 0.245 108 V C 2.458 178.525 176.094 -0.046 0.000 1.043 108 V CA 1.649 63.951 62.300 0.004 0.000 1.014 108 V CB -0.322 31.534 31.823 0.055 0.000 0.645 108 V HN 0.139 nan 8.190 nan 0.000 0.447 109 R N 0.239 120.701 120.500 -0.063 0.000 2.148 109 R HA -0.053 4.287 4.340 0.000 0.000 0.227 109 R C 1.855 178.110 176.300 -0.075 0.000 1.103 109 R CA 1.134 57.179 56.100 -0.092 0.000 0.983 109 R CB -0.325 29.891 30.300 -0.140 0.000 0.874 109 R HN 0.505 nan 8.270 nan 0.000 0.451 110 N N 0.780 119.445 118.700 -0.059 0.000 2.422 110 N HA 0.055 4.795 4.740 0.000 0.000 0.181 110 N C 0.375 175.858 175.510 -0.046 0.000 1.080 110 N CA 0.445 53.467 53.050 -0.048 0.000 0.893 110 N CB 0.391 38.856 38.487 -0.036 0.000 0.973 110 N HN 0.137 nan 8.380 nan 0.000 0.456 111 L N 0.575 121.766 121.223 -0.053 0.000 4.140 111 L HA -0.202 4.138 4.340 0.000 0.000 0.406 111 L C 0.226 177.064 176.870 -0.054 0.000 1.175 111 L CA -0.099 54.707 54.840 -0.057 0.000 0.939 111 L CB -2.677 39.351 42.059 -0.051 0.000 2.105 111 L HN 0.115 nan 8.230 nan 0.000 0.803 112 S N -0.121 115.546 115.700 -0.054 0.000 2.558 112 S HA 0.186 4.656 4.470 0.000 0.000 0.293 112 S C 1.486 176.041 174.600 -0.075 0.000 1.292 112 S CA 0.134 58.303 58.200 -0.051 0.000 1.063 112 S CB 1.559 64.737 63.200 -0.037 0.000 0.831 112 S HN 0.486 nan 8.310 nan 0.000 0.499 113 S N 3.185 118.853 115.700 -0.054 0.000 2.453 113 S HA -0.035 4.435 4.470 0.000 0.000 0.231 113 S C 1.683 176.242 174.600 -0.068 0.000 1.005 113 S CA 0.321 58.492 58.200 -0.049 0.000 0.949 113 S CB -0.315 62.868 63.200 -0.028 0.000 0.774 113 S HN 0.728 nan 8.310 nan 0.000 0.510 114 K N 1.936 122.286 120.400 -0.083 0.000 2.057 114 K HA 0.077 4.397 4.320 0.000 0.000 0.207 114 K C 2.263 178.683 176.600 -0.300 0.000 1.049 114 K CA 1.376 57.601 56.287 -0.103 0.000 0.931 114 K CB -0.778 31.697 32.500 -0.041 0.000 0.714 114 K HN 0.460 nan 8.250 nan 0.000 0.440 115 A N 0.564 123.103 122.820 -0.468 0.000 1.855 115 A HA -0.097 4.223 4.320 0.000 0.000 0.215 115 A C 2.357 179.709 177.584 -0.388 0.000 1.191 115 A CA 1.626 53.156 52.037 -0.844 0.000 0.613 115 A CB -0.713 17.947 19.000 -0.566 0.000 0.829 115 A HN 0.104 nan 8.150 nan 0.000 0.442 116 V N 1.168 120.966 119.914 -0.194 0.000 2.469 116 V HA -0.300 3.820 4.120 0.000 0.000 0.251 116 V C 2.160 178.283 176.094 0.047 0.000 1.064 116 V CA 2.159 64.411 62.300 -0.079 0.000 1.066 116 V CB -1.199 30.615 31.823 -0.015 0.000 0.667 116 V HN 0.589 nan 8.190 nan 0.000 0.461 117 N N -1.004 117.708 118.700 0.020 0.000 2.142 117 N HA -0.197 4.543 4.740 0.000 0.000 0.186 117 N C 1.985 177.533 175.510 0.064 0.000 1.023 117 N CA 1.246 54.337 53.050 0.067 0.000 0.852 117 N CB -0.221 38.280 38.487 0.023 0.000 0.998 117 N HN 0.618 nan 8.380 nan 0.000 0.424 118 H N 1.622 120.640 119.070 -0.085 0.000 2.326 118 H HA -0.024 4.532 4.556 0.000 0.000 0.301 118 H C 2.204 177.517 175.328 -0.025 0.000 1.081 118 H CA 1.136 57.148 56.048 -0.060 0.000 1.334 118 H CB -0.010 29.733 29.762 -0.032 0.000 1.385 118 H HN 0.128 nan 8.280 nan 0.000 0.504 119 I N 0.450 120.955 120.570 -0.107 0.000 2.185 119 I HA -0.345 3.825 4.170 0.000 0.000 0.246 119 I C 2.392 178.424 176.117 -0.142 0.000 1.088 119 I CA 1.762 62.983 61.300 -0.131 0.000 1.347 119 I CB -0.442 37.470 38.000 -0.145 0.000 1.041 119 I HN 0.352 nan 8.210 nan 0.000 0.415 120 H N -0.234 118.796 119.070 -0.067 0.000 2.387 120 H HA -0.153 4.403 4.556 -0.000 0.000 0.299 120 H C 2.500 177.831 175.328 0.006 0.000 1.090 120 H CA 1.841 57.881 56.048 -0.013 0.000 1.332 120 H CB 0.010 29.752 29.762 -0.033 0.000 1.386 120 H HN 0.409 nan 8.280 nan 0.000 0.516 121 S N -0.403 115.304 115.700 0.012 0.000 2.414 121 S HA -0.084 4.386 4.470 0.000 0.000 0.227 121 S C 2.222 176.750 174.600 -0.119 0.000 1.022 121 S CA 0.880 59.046 58.200 -0.057 0.000 0.958 121 S CB -0.505 62.629 63.200 -0.109 0.000 0.797 121 S HN 0.143 nan 8.310 nan 0.000 0.493 122 V N 1.015 120.800 119.914 -0.214 0.000 2.307 122 V HA -0.116 4.004 4.120 0.000 0.000 0.245 122 V C 2.237 178.321 176.094 -0.016 0.000 1.045 122 V CA 1.777 63.976 62.300 -0.169 0.000 1.024 122 V CB -1.009 30.688 31.823 -0.210 0.000 0.651 122 V HN 0.699 nan 8.190 nan 0.000 0.449 123 W N 1.455 122.681 121.300 -0.124 0.000 2.317 123 W HA -0.283 4.377 4.660 -0.000 0.000 0.318 123 W C 2.597 179.087 176.519 -0.048 0.000 1.227 123 W CA 2.562 59.862 57.345 -0.076 0.000 1.269 123 W CB -0.238 29.182 29.460 -0.068 0.000 1.155 123 W HN 0.234 nan 8.180 nan 0.000 0.484 124 K N 0.539 121.007 120.400 0.114 0.000 2.063 124 K HA -0.284 4.036 4.320 0.000 0.000 0.208 124 K C 1.737 178.281 176.600 -0.093 0.000 1.048 124 K CA 2.346 58.634 56.287 0.002 0.000 0.928 124 K CB -0.665 31.872 32.500 0.062 0.000 0.713 124 K HN 0.014 nan 8.250 nan 0.000 0.442 125 D N 0.380 120.727 120.400 -0.088 0.000 2.104 125 D HA -0.164 4.476 4.640 0.000 0.000 0.194 125 D C 2.007 178.214 176.300 -0.155 0.000 0.994 125 D CA 1.240 55.176 54.000 -0.106 0.000 0.830 125 D CB -0.010 40.732 40.800 -0.096 0.000 0.959 125 D HN 0.230 nan 8.370 nan 0.000 0.452 126 L N -0.170 120.920 121.223 -0.222 0.000 2.079 126 L HA -0.182 4.158 4.340 0.000 0.000 0.210 126 L C 2.414 179.088 176.870 -0.327 0.000 1.081 126 L CA 0.763 55.423 54.840 -0.298 0.000 0.752 126 L CB -0.365 41.440 42.059 -0.423 0.000 0.896 126 L HN 0.221 nan 8.230 nan 0.000 0.433 127 L N -1.092 119.907 121.223 -0.374 0.000 2.240 127 L HA -0.115 4.225 4.340 0.000 0.000 0.211 127 L C 2.105 178.877 176.870 -0.165 0.000 1.106 127 L CA 0.876 55.540 54.840 -0.293 0.000 0.793 127 L CB -0.283 41.603 42.059 -0.290 0.000 0.927 127 L HN 0.232 nan 8.230 nan 0.000 0.446 128 E N -1.036 119.084 120.200 -0.133 0.000 2.400 128 E HA -0.034 4.316 4.350 0.000 0.000 0.195 128 E C 0.057 176.611 176.600 -0.077 0.000 1.012 128 E CA 0.129 56.478 56.400 -0.085 0.000 0.875 128 E CB 0.497 30.159 29.700 -0.064 0.000 0.859 128 E HN 0.144 nan 8.360 nan 0.000 0.498 129 D N -0.045 120.299 120.400 -0.094 0.000 2.602 129 D HA 0.039 4.679 4.640 0.000 0.000 0.245 129 D C -0.262 175.986 176.300 -0.085 0.000 1.325 129 D CA -0.190 53.765 54.000 -0.075 0.000 0.952 129 D CB 1.384 42.145 40.800 -0.065 0.000 1.317 129 D HN -0.038 nan 8.370 nan 0.000 0.577 130 T N 0.269 114.782 114.554 -0.069 0.000 3.214 130 T HA 0.233 4.583 4.350 0.000 0.000 0.264 130 T C 1.156 175.827 174.700 -0.048 0.000 1.012 130 T CA 0.301 62.361 62.100 -0.068 0.000 0.901 130 T CB -0.167 68.665 68.868 -0.060 0.000 1.070 130 T HN 0.213 nan 8.240 nan 0.000 0.561 131 V N -3.619 116.271 119.914 -0.040 0.000 3.332 131 V HA 0.384 4.504 4.120 0.000 0.000 0.263 131 V C 0.353 176.438 176.094 -0.015 0.000 1.562 131 V CA -0.196 62.089 62.300 -0.024 0.000 1.040 131 V CB -0.071 31.741 31.823 -0.020 0.000 0.857 131 V HN 0.284 nan 8.190 nan 0.000 0.428 132 T N 4.517 119.059 114.554 -0.020 0.000 2.737 132 T HA 0.438 4.788 4.350 0.000 0.000 0.296 132 T C -2.585 172.114 174.700 -0.000 0.000 0.922 132 T CA -0.710 61.387 62.100 -0.005 0.000 1.079 132 T CB 0.950 69.814 68.868 -0.006 0.000 0.892 132 T HN 0.301 nan 8.240 nan 0.000 0.514 133 P HA 0.118 nan 4.420 nan 0.000 0.264 133 P C -0.297 177.010 177.300 0.011 0.000 1.183 133 P CA -0.027 63.093 63.100 0.034 0.000 0.763 133 P CB 0.329 32.096 31.700 0.111 0.000 0.807 134 I N 2.522 123.082 120.570 -0.017 0.000 2.365 134 I HA 0.124 4.294 4.170 0.000 0.000 0.291 134 I C 0.934 177.044 176.117 -0.012 0.000 1.004 134 I CA -0.474 60.819 61.300 -0.011 0.000 1.311 134 I CB 0.678 38.659 38.000 -0.032 0.000 1.401 134 I HN 0.326 nan 8.210 nan 0.000 0.491 135 D N 4.664 125.072 120.400 0.013 0.000 2.506 135 D HA 0.075 4.715 4.640 0.000 0.000 0.234 135 D C -0.275 176.000 176.300 -0.042 0.000 1.143 135 D CA 0.511 54.507 54.000 -0.007 0.000 0.871 135 D CB 0.720 41.532 40.800 0.020 0.000 1.190 135 D HN 0.618 nan 8.370 nan 0.000 0.459 136 T N -0.461 114.038 114.554 -0.091 0.000 2.906 136 T HA 0.593 4.943 4.350 0.000 0.000 0.295 136 T C -0.347 174.208 174.700 -0.242 0.000 1.061 136 T CA -1.006 60.997 62.100 -0.161 0.000 1.000 136 T CB 1.567 70.362 68.868 -0.122 0.000 1.103 136 T HN 0.213 nan 8.240 nan 0.000 0.486 137 T N 2.424 116.679 114.554 -0.498 0.000 2.837 137 T HA 0.575 4.925 4.350 0.000 0.000 0.285 137 T C -0.283 174.155 174.700 -0.436 0.000 0.984 137 T CA -0.581 61.203 62.100 -0.526 0.000 1.049 137 T CB 0.745 69.124 68.868 -0.814 0.000 0.947 137 T HN 0.734 nan 8.240 nan 0.000 0.472 138 I N 4.007 124.483 120.570 -0.156 0.000 2.354 138 I HA 0.501 4.671 4.170 0.000 0.000 0.292 138 I C -0.831 175.315 176.117 0.049 0.000 0.989 138 I CA -0.732 60.564 61.300 -0.007 0.000 1.188 138 I CB 0.573 38.622 38.000 0.081 0.000 1.342 138 I HN 0.416 nan 8.210 nan 0.000 0.457 139 M N 6.424 126.106 119.600 0.136 0.000 2.591 139 M HA 0.521 5.001 4.480 0.000 0.000 0.306 139 M C -0.475 175.893 176.300 0.114 0.000 1.190 139 M CA -0.664 54.724 55.300 0.145 0.000 0.889 139 M CB 1.885 34.631 32.600 0.244 0.000 1.728 139 M HN 0.611 nan 8.290 nan 0.000 0.458 140 A N 2.583 125.448 122.820 0.076 0.000 2.320 140 A HA 0.426 4.746 4.320 0.000 0.000 0.287 140 A C -0.016 177.608 177.584 0.068 0.000 1.181 140 A CA -0.549 51.526 52.037 0.063 0.000 0.831 140 A CB 0.174 19.197 19.000 0.038 0.000 1.102 140 A HN 0.706 nan 8.150 nan 0.000 0.513 141 K N 2.994 123.437 120.400 0.071 0.000 2.368 141 K HA 0.086 4.406 4.320 0.000 0.000 0.282 141 K C -0.742 175.872 176.600 0.024 0.000 1.035 141 K CA -0.294 56.022 56.287 0.047 0.000 0.973 141 K CB 0.472 33.006 32.500 0.056 0.000 0.957 141 K HN 0.589 nan 8.250 nan 0.000 0.474 142 N N 4.107 122.793 118.700 -0.025 0.000 2.482 142 N HA 0.094 4.835 4.740 0.000 0.000 0.242 142 N C -0.610 174.781 175.510 -0.199 0.000 1.100 142 N CA 0.094 53.091 53.050 -0.088 0.000 0.946 142 N CB 0.747 39.181 38.487 -0.088 0.000 1.227 142 N HN 0.484 nan 8.380 nan 0.000 0.508 143 E N 0.277 120.341 120.200 -0.226 0.000 2.288 143 E HA 0.444 4.794 4.350 0.000 0.000 0.268 143 E C -0.678 175.496 176.600 -0.709 0.000 0.885 143 E CA -0.950 55.185 56.400 -0.441 0.000 0.767 143 E CB 2.495 31.976 29.700 -0.366 0.000 1.220 143 E HN 0.041 nan 8.360 nan 0.000 0.427 144 V N 3.149 122.508 119.914 -0.925 0.000 2.439 144 V HA 0.457 4.577 4.120 0.000 0.000 0.282 144 V C -0.789 174.660 176.094 -1.075 0.000 1.039 144 V CA -0.124 61.654 62.300 -0.871 0.000 0.913 144 V CB 0.130 31.563 31.823 -0.651 0.000 0.983 144 V HN 0.508 nan 8.190 nan 0.000 0.460 145 F N 2.311 121.900 119.950 -0.602 0.000 2.692 145 F HA 0.590 5.117 4.527 -0.000 0.000 0.320 145 F C 0.094 175.699 175.800 -0.325 0.000 1.123 145 F CA -0.750 56.986 58.000 -0.441 0.000 0.961 145 F CB 1.251 39.989 39.000 -0.436 0.000 1.383 145 F HN 0.523 nan 8.300 nan 0.000 0.483 146 C N 2.604 122.005 119.300 0.167 0.000 2.365 146 C HA 0.784 5.244 4.460 0.000 0.000 0.351 146 C C 0.065 175.280 174.990 0.375 0.000 1.240 146 C CA -0.723 58.431 59.018 0.228 0.000 2.062 146 C CB 0.003 27.830 27.740 0.145 0.000 2.387 146 C HN 0.727 nan 8.230 nan 0.000 0.537 147 V N 5.826 125.991 119.914 0.418 0.000 2.673 147 V HA 0.292 4.412 4.120 0.000 0.000 0.303 147 V C -0.050 176.135 176.094 0.151 0.000 1.046 147 V CA 0.284 62.758 62.300 0.291 0.000 1.126 147 V CB 0.114 32.015 31.823 0.130 0.000 0.934 147 V HN 0.981 nan 8.190 nan 0.000 0.487 155 K N 2.978 123.368 120.400 -0.017 0.000 2.270 155 K HA 0.290 4.610 4.320 0.000 0.000 0.276 155 K C -2.225 174.387 176.600 0.020 0.000 1.023 155 K CA -1.606 54.639 56.287 -0.069 0.000 0.955 155 K CB 0.377 32.700 32.500 -0.295 0.000 0.975 155 K HN 0.163 nan 8.250 nan 0.000 0.471 156 P HA 0.008 nan 4.420 nan 0.000 0.272 156 P C -0.873 176.470 177.300 0.073 0.000 1.230 156 P CA -0.438 62.682 63.100 0.032 0.000 0.788 156 P CB 0.534 32.237 31.700 0.006 0.000 0.949 157 A N 2.728 125.600 122.820 0.087 0.000 2.565 157 A HA 0.021 4.341 4.320 0.000 0.000 0.237 157 A C 0.596 178.235 177.584 0.092 0.000 1.053 157 A CA 0.201 52.302 52.037 0.107 0.000 0.755 157 A CB -0.459 18.587 19.000 0.076 0.000 0.980 157 A HN 0.454 nan 8.150 nan 0.000 0.506 158 R N 0.375 120.950 120.500 0.124 0.000 2.707 158 R HA 0.351 4.691 4.340 0.000 0.000 0.270 158 R C -0.835 175.527 176.300 0.104 0.000 1.083 158 R CA -0.455 55.716 56.100 0.119 0.000 1.182 158 R CB 0.202 30.591 30.300 0.147 0.000 1.084 158 R HN 0.515 nan 8.270 nan 0.000 0.528 159 L N 2.261 123.552 121.223 0.114 0.000 2.307 159 L HA 0.435 4.775 4.340 0.000 0.000 0.284 159 L C -0.607 176.358 176.870 0.158 0.000 1.023 159 L CA -0.470 54.441 54.840 0.117 0.000 0.810 159 L CB 1.459 43.578 42.059 0.100 0.000 1.231 159 L HN 0.468 nan 8.230 nan 0.000 0.423 160 I N 3.829 124.508 120.570 0.182 0.000 2.406 160 I HA 0.604 4.774 4.170 0.000 0.000 0.290 160 I C -1.040 175.260 176.117 0.306 0.000 0.999 160 I CA -0.288 61.157 61.300 0.243 0.000 1.124 160 I CB 1.669 39.803 38.000 0.224 0.000 1.289 160 I HN 0.231 nan 8.210 nan 0.000 0.441 161 V N 8.961 129.051 119.914 0.294 0.000 2.444 161 V HA 0.579 4.699 4.120 0.000 0.000 0.294 161 V C -0.809 175.449 176.094 0.274 0.000 1.022 161 V CA -0.468 61.950 62.300 0.196 0.000 0.850 161 V CB 1.052 32.970 31.823 0.158 0.000 0.992 161 V HN 0.593 nan 8.190 nan 0.000 0.426 162 F N 5.145 125.143 119.950 0.080 0.000 2.601 162 F HA 0.941 5.468 4.527 -0.000 0.000 0.309 162 F C -3.046 172.797 175.800 0.072 0.000 1.089 162 F CA -2.700 55.349 58.000 0.081 0.000 0.940 162 F CB 1.732 40.775 39.000 0.072 0.000 1.273 162 F HN 0.295 nan 8.300 nan 0.000 0.450 163 P HA 0.177 nan 4.420 nan 0.000 0.284 163 P C -1.031 176.400 177.300 0.218 0.000 1.292 163 P CA -0.208 62.957 63.100 0.107 0.000 0.800 163 P CB 1.078 32.849 31.700 0.118 0.000 1.188 164 D N -0.779 119.728 120.400 0.177 0.000 2.472 164 D HA -0.079 4.561 4.640 0.000 0.000 0.237 164 D C 1.403 177.848 176.300 0.242 0.000 1.141 164 D CA -0.230 53.907 54.000 0.229 0.000 0.875 164 D CB 0.216 41.202 40.800 0.310 0.000 1.192 164 D HN 0.100 nan 8.370 nan 0.000 0.450 165 L N 4.166 125.511 121.223 0.203 0.000 2.054 165 L HA -0.148 4.192 4.340 0.000 0.000 0.220 165 L C 2.035 179.049 176.870 0.240 0.000 1.081 165 L CA 2.744 57.687 54.840 0.171 0.000 0.780 165 L CB -1.226 40.878 42.059 0.075 0.000 0.893 165 L HN 0.682 nan 8.230 nan 0.000 0.438 166 G N -1.637 107.374 108.800 0.351 0.000 2.422 166 G HA2 -0.169 3.791 3.960 0.000 0.000 0.218 166 G HA3 -0.169 3.791 3.960 0.000 0.000 0.218 166 G C 1.545 176.561 174.900 0.193 0.000 1.146 166 G CA 0.989 46.314 45.100 0.375 0.000 0.769 166 G HN 0.384 nan 8.290 nan 0.000 0.547 167 V N 0.796 120.819 119.914 0.183 0.000 2.343 167 V HA -0.185 3.935 4.120 0.000 0.000 0.247 167 V C 2.923 179.104 176.094 0.145 0.000 1.051 167 V CA 1.954 64.334 62.300 0.132 0.000 1.036 167 V CB -0.482 31.411 31.823 0.117 0.000 0.654 167 V HN 0.328 nan 8.190 nan 0.000 0.451 168 R N -0.196 120.400 120.500 0.160 0.000 2.081 168 R HA -0.115 4.225 4.340 0.000 0.000 0.235 168 R C 2.256 178.625 176.300 0.115 0.000 1.131 168 R CA 1.520 57.708 56.100 0.147 0.000 0.960 168 R CB -0.683 29.700 30.300 0.138 0.000 0.856 168 R HN 0.434 nan 8.270 nan 0.000 0.436 169 V N 0.582 120.555 119.914 0.097 0.000 2.407 169 V HA -0.305 3.815 4.120 0.000 0.000 0.248 169 V C 2.516 178.642 176.094 0.053 0.000 1.055 169 V CA 1.535 63.860 62.300 0.043 0.000 1.049 169 V CB -0.546 31.290 31.823 0.022 0.000 0.662 169 V HN 0.449 nan 8.190 nan 0.000 0.455 170 C N 0.024 119.398 119.300 0.124 0.000 2.429 170 C HA -0.138 4.322 4.460 0.000 0.000 0.277 170 C C 2.696 177.866 174.990 0.301 0.000 1.262 170 C CA 1.014 60.188 59.018 0.259 0.000 1.733 170 C CB -0.970 26.962 27.740 0.320 0.000 2.010 170 C HN 0.635 nan 8.230 nan 0.000 0.483 171 E N 0.815 121.144 120.200 0.215 0.000 2.077 171 E HA -0.216 4.134 4.350 0.000 0.000 0.193 171 E C 2.119 178.842 176.600 0.206 0.000 0.989 171 E CA 1.106 57.642 56.400 0.228 0.000 0.800 171 E CB -0.170 29.677 29.700 0.245 0.000 0.746 171 E HN 0.630 nan 8.360 nan 0.000 0.452 172 K N 0.456 120.948 120.400 0.152 0.000 2.063 172 K HA -0.149 4.171 4.320 0.000 0.000 0.208 172 K C 2.205 178.867 176.600 0.103 0.000 1.048 172 K CA 1.498 57.862 56.287 0.128 0.000 0.928 172 K CB -0.146 32.355 32.500 0.002 0.000 0.713 172 K HN 0.126 nan 8.250 nan 0.000 0.442 173 M N 0.272 119.891 119.600 0.032 0.000 2.065 173 M HA -0.191 4.289 4.480 0.000 0.000 0.259 173 M C 2.489 178.829 176.300 0.066 0.000 1.069 173 M CA 1.869 57.114 55.300 -0.092 0.000 1.110 173 M CB -0.412 31.931 32.600 -0.429 0.000 1.328 173 M HN 0.244 nan 8.290 nan 0.000 0.405 174 A N -0.570 122.430 122.820 0.300 0.000 1.969 174 A HA -0.020 4.300 4.320 0.000 0.000 0.218 174 A C 1.881 179.563 177.584 0.163 0.000 1.169 174 A CA 1.372 53.616 52.037 0.344 0.000 0.635 174 A CB -0.281 18.942 19.000 0.372 0.000 0.810 174 A HN 0.519 nan 8.150 nan 0.000 0.445 175 L N -3.620 117.685 121.223 0.136 0.000 3.128 175 L HA 0.184 4.524 4.340 0.000 0.000 0.277 175 L C 1.841 178.738 176.870 0.046 0.000 1.171 175 L CA 0.061 54.917 54.840 0.026 0.000 1.008 175 L CB 0.082 42.129 42.059 -0.020 0.000 1.442 175 L HN 0.452 nan 8.230 nan 0.000 0.584 176 Y N 1.404 121.718 120.300 0.024 0.000 2.165 176 Y HA -0.326 4.224 4.550 0.000 0.000 0.286 176 Y C 2.154 178.090 175.900 0.060 0.000 1.155 176 Y CA 2.351 60.486 58.100 0.058 0.000 1.164 176 Y CB 0.122 38.610 38.460 0.047 0.000 0.978 176 Y HN 0.236 nan 8.280 nan 0.000 0.513 177 D N -0.758 119.688 120.400 0.077 0.000 2.144 177 D HA -0.156 4.484 4.640 0.000 0.000 0.200 177 D C 2.162 178.403 176.300 -0.099 0.000 0.978 177 D CA 1.286 55.276 54.000 -0.016 0.000 0.833 177 D CB -0.165 40.678 40.800 0.073 0.000 0.961 177 D HN 0.262 nan 8.370 nan 0.000 0.470 178 V N 0.474 120.330 119.914 -0.097 0.000 2.255 178 V HA -0.240 3.880 4.120 0.000 0.000 0.247 178 V C 2.662 178.642 176.094 -0.190 0.000 1.051 178 V CA 1.902 64.117 62.300 -0.141 0.000 1.018 178 V CB -0.700 30.992 31.823 -0.217 0.000 0.641 178 V HN 0.371 nan 8.190 nan 0.000 0.445 179 V N -2.583 117.194 119.914 -0.228 0.000 3.141 179 V HA -0.044 4.077 4.120 0.000 0.000 0.265 179 V C 1.981 177.905 176.094 -0.283 0.000 1.126 179 V CA 1.947 64.104 62.300 -0.238 0.000 1.141 179 V CB -0.165 31.536 31.823 -0.202 0.000 0.743 179 V HN 0.456 nan 8.190 nan 0.000 0.492 180 S N 0.065 115.595 115.700 -0.282 0.000 2.478 180 S HA 0.034 4.504 4.470 0.000 0.000 0.222 180 S C 1.772 176.281 174.600 -0.152 0.000 1.008 180 S CA 1.366 59.431 58.200 -0.225 0.000 0.928 180 S CB 0.123 63.137 63.200 -0.311 0.000 0.781 180 S HN 0.772 nan 8.310 nan 0.000 0.518 181 T N 1.263 115.719 114.554 -0.164 0.000 3.125 181 T HA 0.281 4.631 4.350 0.000 0.000 0.252 181 T C 1.631 176.230 174.700 -0.168 0.000 0.981 181 T CA -0.175 61.848 62.100 -0.128 0.000 1.069 181 T CB -0.288 68.530 68.868 -0.084 0.000 1.091 181 T HN 0.182 nan 8.240 nan 0.000 0.460 182 L N 2.272 123.394 121.223 -0.168 0.000 2.012 182 L HA -0.041 4.299 4.340 0.000 0.000 0.210 182 L C -1.063 175.639 176.870 -0.280 0.000 1.073 182 L CA 1.740 56.483 54.840 -0.162 0.000 0.748 182 L CB -0.930 41.085 42.059 -0.073 0.000 0.891 182 L HN 0.155 nan 8.230 nan 0.000 0.431 183 P HA -0.220 nan 4.420 nan 0.000 0.215 183 P C 1.372 178.219 177.300 -0.755 0.000 1.153 183 P CA 1.302 63.952 63.100 -0.750 0.000 0.853 183 P CB -0.175 30.715 31.700 -1.350 0.000 0.788 184 Q N -0.052 119.378 119.800 -0.617 0.000 2.172 184 Q HA -0.080 4.260 4.340 0.000 0.000 0.200 184 Q C 1.929 177.804 176.000 -0.209 0.000 0.964 184 Q CA 1.290 56.919 55.803 -0.289 0.000 0.855 184 Q CB -0.582 28.090 28.738 -0.110 0.000 0.918 184 Q HN 0.086 nan 8.270 nan 0.000 0.444 185 V N 0.011 119.802 119.914 -0.203 0.000 2.427 185 V HA -0.183 3.937 4.120 0.000 0.000 0.248 185 V C 2.421 178.421 176.094 -0.157 0.000 1.051 185 V CA 1.269 63.484 62.300 -0.141 0.000 1.048 185 V CB -0.288 31.471 31.823 -0.107 0.000 0.666 185 V HN 0.115 nan 8.190 nan 0.000 0.456 186 V N -0.722 119.058 119.914 -0.223 0.000 2.407 186 V HA -0.117 4.003 4.120 0.000 0.000 0.245 186 V C 2.038 177.928 176.094 -0.339 0.000 1.041 186 V CA 1.883 64.039 62.300 -0.240 0.000 1.040 186 V CB -0.326 31.341 31.823 -0.260 0.000 0.671 186 V HN 0.455 nan 8.190 nan 0.000 0.455 187 M N -0.903 118.430 119.600 -0.445 0.000 2.441 187 M HA 0.334 4.814 4.480 0.000 0.000 0.244 187 M C 1.507 177.685 176.300 -0.203 0.000 1.122 187 M CA 0.735 55.696 55.300 -0.564 0.000 1.041 187 M CB 0.154 32.339 32.600 -0.693 0.000 1.438 187 M HN 0.456 nan 8.290 nan 0.000 0.484 188 G N 1.748 110.462 108.800 -0.143 0.000 2.652 188 G HA2 -0.408 3.552 3.960 0.000 0.000 0.318 188 G HA3 -0.408 3.552 3.960 0.000 0.000 0.318 188 G C 0.887 175.754 174.900 -0.055 0.000 1.295 188 G CA 1.012 46.074 45.100 -0.063 0.000 0.999 188 G HN 0.533 nan 8.290 nan 0.000 0.548 189 S N -0.735 114.959 115.700 -0.010 0.000 2.474 189 S HA 0.036 4.506 4.470 0.000 0.000 0.235 189 S C 2.229 176.720 174.600 -0.181 0.000 0.997 189 S CA 1.931 60.089 58.200 -0.071 0.000 0.949 189 S CB -0.169 63.067 63.200 0.060 0.000 0.766 189 S HN 1.022 nan 8.310 nan 0.000 0.517 190 S N 0.287 115.983 115.700 -0.007 0.000 2.481 190 S HA 0.069 4.539 4.470 0.000 0.000 0.231 190 S C 0.300 174.904 174.600 0.007 0.000 0.996 190 S CA 0.048 58.287 58.200 0.064 0.000 0.942 190 S CB -0.478 62.878 63.200 0.259 0.000 0.768 190 S HN 0.690 nan 8.310 nan 0.000 0.520 191 Y N 3.260 123.421 120.300 -0.231 0.000 2.637 191 Y HA 0.421 4.971 4.550 0.000 0.000 0.350 191 Y C 1.276 176.945 175.900 -0.385 0.000 1.069 191 Y CA -1.493 56.434 58.100 -0.288 0.000 1.397 191 Y CB -0.108 38.182 38.460 -0.284 0.000 1.163 191 Y HN 0.060 nan 8.280 nan 0.000 0.527 192 G N 4.386 112.751 108.800 -0.725 0.000 2.471 192 G HA2 -0.240 3.720 3.960 0.000 0.000 0.219 192 G HA3 -0.240 3.720 3.960 0.000 0.000 0.219 192 G C 1.003 175.369 174.900 -0.891 0.000 1.125 192 G CA 0.202 44.910 45.100 -0.654 0.000 0.775 192 G HN 0.621 nan 8.290 nan 0.000 0.548 193 F N 1.121 120.313 119.950 -1.264 0.000 2.780 193 F HA 0.075 4.602 4.527 -0.000 0.000 0.299 193 F C 2.765 178.269 175.800 -0.495 0.000 1.146 193 F CA 0.533 57.883 58.000 -1.083 0.000 1.428 193 F CB -0.013 38.333 39.000 -1.089 0.000 1.115 193 F HN 0.359 nan 8.300 nan 0.000 0.583 194 Q N -0.680 118.826 119.800 -0.490 0.000 2.472 194 Q HA -0.104 4.236 4.340 0.000 0.000 0.208 194 Q C -0.629 175.253 176.000 -0.197 0.000 0.958 194 Q CA 0.832 56.471 55.803 -0.272 0.000 0.932 194 Q CB -0.334 28.154 28.738 -0.417 0.000 1.007 194 Q HN 0.268 nan 8.270 nan 0.000 0.508 195 Y N 2.059 122.387 120.300 0.047 0.000 2.328 195 Y HA 0.277 4.827 4.550 -0.000 0.000 0.337 195 Y C 0.574 176.347 175.900 -0.212 0.000 1.008 195 Y CA -1.519 56.545 58.100 -0.060 0.000 1.129 195 Y CB 1.434 39.813 38.460 -0.135 0.000 1.185 195 Y HN 0.112 nan 8.280 nan 0.000 0.476 196 S N 3.337 118.747 115.700 -0.485 0.000 2.587 196 S HA 0.131 4.601 4.470 0.000 0.000 0.260 196 S C -1.925 172.333 174.600 -0.569 0.000 1.353 196 S CA -0.882 56.521 58.200 -1.329 0.000 0.995 196 S CB 0.907 63.524 63.200 -0.973 0.000 0.912 196 S HN 0.437 nan 8.310 nan 0.000 0.568 197 P HA 0.041 nan 4.420 nan 0.000 0.217 197 P C 1.744 178.966 177.300 -0.130 0.000 1.150 197 P CA 1.572 64.542 63.100 -0.216 0.000 0.832 197 P CB -0.543 31.075 31.700 -0.137 0.000 0.787 198 G N 0.012 108.719 108.800 -0.155 0.000 2.446 198 G HA2 -0.282 3.678 3.960 0.000 0.000 0.217 198 G HA3 -0.282 3.678 3.960 0.000 0.000 0.217 198 G C 1.502 176.347 174.900 -0.091 0.000 1.168 198 G CA 0.667 45.722 45.100 -0.074 0.000 0.771 198 G HN 0.314 nan 8.290 nan 0.000 0.551 199 Q N -0.511 119.216 119.800 -0.122 0.000 2.172 199 Q HA 0.042 4.382 4.340 0.000 0.000 0.200 199 Q C 2.562 178.409 176.000 -0.255 0.000 0.964 199 Q CA 0.711 56.452 55.803 -0.105 0.000 0.855 199 Q CB -0.104 28.653 28.738 0.032 0.000 0.918 199 Q HN 0.449 nan 8.270 nan 0.000 0.444 200 R N 0.522 120.896 120.500 -0.211 0.000 2.073 200 R HA -0.138 4.202 4.340 0.000 0.000 0.234 200 R C 2.102 178.298 176.300 -0.173 0.000 1.134 200 R CA 1.203 57.153 56.100 -0.250 0.000 0.952 200 R CB -0.170 30.079 30.300 -0.085 0.000 0.850 200 R HN 0.099 nan 8.270 nan 0.000 0.433 201 V N 1.457 121.297 119.914 -0.123 0.000 2.287 201 V HA -0.278 3.842 4.120 0.000 0.000 0.248 201 V C 2.409 178.415 176.094 -0.147 0.000 1.053 201 V CA 2.319 64.547 62.300 -0.120 0.000 1.027 201 V CB -0.610 31.181 31.823 -0.054 0.000 0.646 201 V HN 0.504 nan 8.190 nan 0.000 0.447 202 E N -0.572 119.563 120.200 -0.108 0.000 2.051 202 E HA -0.269 4.081 4.350 0.000 0.000 0.192 202 E C 2.166 178.703 176.600 -0.106 0.000 0.991 202 E CA 1.722 58.071 56.400 -0.086 0.000 0.799 202 E CB -0.216 29.456 29.700 -0.047 0.000 0.748 202 E HN 0.535 nan 8.360 nan 0.000 0.449 203 F N 1.425 121.194 119.950 -0.302 0.000 2.095 203 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 203 F C 2.054 177.718 175.800 -0.226 0.000 1.104 203 F CA 1.478 59.284 58.000 -0.323 0.000 1.232 203 F CB -0.360 38.263 39.000 -0.629 0.000 0.987 203 F HN 0.004 nan 8.300 nan 0.000 0.475 204 L N -0.838 120.225 121.223 -0.268 0.000 2.017 204 L HA -0.245 4.095 4.340 0.000 0.000 0.208 204 L C 2.397 179.087 176.870 -0.299 0.000 1.073 204 L CA 1.196 55.851 54.840 -0.309 0.000 0.745 204 L CB -0.946 40.981 42.059 -0.220 0.000 0.894 204 L HN 0.014 nan 8.230 nan 0.000 0.432 205 V N 0.105 119.837 119.914 -0.303 0.000 2.261 205 V HA -0.285 3.835 4.120 0.000 0.000 0.246 205 V C 2.262 178.258 176.094 -0.163 0.000 1.047 205 V CA 1.982 64.101 62.300 -0.301 0.000 1.015 205 V CB -0.694 30.878 31.823 -0.418 0.000 0.642 205 V HN 0.484 nan 8.190 nan 0.000 0.446 206 N N 0.099 118.691 118.700 -0.180 0.000 2.104 206 N HA -0.152 4.588 4.740 0.000 0.000 0.190 206 N C 1.895 177.296 175.510 -0.181 0.000 1.024 206 N CA 2.035 54.999 53.050 -0.144 0.000 0.853 206 N CB -0.726 37.688 38.487 -0.123 0.000 1.008 206 N HN 0.472 nan 8.380 nan 0.000 0.424 207 T N 0.463 114.820 114.554 -0.328 0.000 2.777 207 T HA -0.134 4.216 4.350 0.000 0.000 0.266 207 T C 1.492 176.099 174.700 -0.154 0.000 1.040 207 T CA 0.630 62.529 62.100 -0.335 0.000 1.141 207 T CB -0.182 68.335 68.868 -0.583 0.000 0.868 207 T HN 0.429 nan 8.240 nan 0.000 0.444 208 W N 2.220 123.348 121.300 -0.286 0.000 2.355 208 W HA -0.056 4.604 4.660 0.000 0.000 0.309 208 W C 1.791 178.220 176.519 -0.150 0.000 1.206 208 W CA 1.076 58.297 57.345 -0.207 0.000 1.284 208 W CB -0.169 29.158 29.460 -0.222 0.000 1.145 208 W HN 0.230 nan 8.180 nan 0.000 0.502 209 K N 0.288 120.709 120.400 0.034 0.000 2.362 209 K HA -0.119 4.201 4.320 0.000 0.000 0.200 209 K C 1.968 178.517 176.600 -0.084 0.000 1.046 209 K CA 1.500 57.776 56.287 -0.018 0.000 0.952 209 K CB -0.234 32.273 32.500 0.012 0.000 0.753 209 K HN 0.044 nan 8.250 nan 0.000 0.466 210 S N 0.417 116.050 115.700 -0.112 0.000 2.593 210 S HA 0.060 4.530 4.470 0.000 0.000 0.217 210 S C 0.214 174.735 174.600 -0.131 0.000 0.966 210 S CA -0.092 58.045 58.200 -0.105 0.000 0.914 210 S CB 0.118 63.259 63.200 -0.099 0.000 0.776 210 S HN -0.059 nan 8.310 nan 0.000 0.523 211 K N 1.687 121.970 120.400 -0.196 0.000 2.182 211 K HA 0.427 4.747 4.320 0.000 0.000 0.262 211 K C 0.252 176.731 176.600 -0.202 0.000 0.957 211 K CA -0.551 55.606 56.287 -0.216 0.000 0.842 211 K CB 1.603 33.913 32.500 -0.318 0.000 1.099 211 K HN 0.061 nan 8.250 nan 0.000 0.438 212 K N 1.244 121.558 120.400 -0.142 0.000 2.009 212 K HA -0.162 4.158 4.320 0.000 0.000 0.210 212 K C -0.048 176.471 176.600 -0.134 0.000 1.049 212 K CA 1.638 57.859 56.287 -0.111 0.000 0.929 212 K CB -0.074 32.379 32.500 -0.078 0.000 0.714 212 K HN 0.488 nan 8.250 nan 0.000 0.440 213 N N 1.124 119.734 118.700 -0.150 0.000 2.682 213 N HA 0.186 4.926 4.740 0.000 0.000 0.252 213 N C -2.870 172.490 175.510 -0.250 0.000 1.081 213 N CA -1.524 51.431 53.050 -0.158 0.000 0.844 213 N CB 1.451 39.889 38.487 -0.082 0.000 1.167 213 N HN -0.021 nan 8.380 nan 0.000 0.523 214 P HA -0.000 nan 4.420 nan 0.000 0.267 214 P C -0.698 176.211 177.300 -0.651 0.000 1.205 214 P CA 0.042 62.577 63.100 -0.942 0.000 0.765 214 P CB 0.787 31.169 31.700 -2.196 0.000 0.828 215 M N 3.001 122.335 119.600 -0.442 0.000 2.393 215 M HA 0.646 5.126 4.480 0.000 0.000 0.299 215 M C -1.018 175.234 176.300 -0.080 0.000 1.103 215 M CA -0.338 54.833 55.300 -0.217 0.000 0.910 215 M CB 2.631 35.186 32.600 -0.075 0.000 1.659 215 M HN 0.508 nan 8.290 nan 0.000 0.445 216 G N 3.984 112.849 108.800 0.109 0.000 2.612 216 G HA2 0.817 4.777 3.960 0.000 0.000 0.298 216 G HA3 0.817 4.777 3.960 0.000 0.000 0.298 216 G C -1.922 173.036 174.900 0.098 0.000 1.336 216 G CA -0.591 44.580 45.100 0.118 0.000 0.953 216 G HN 0.772 nan 8.290 nan 0.000 0.482 217 F N -0.145 119.758 119.950 -0.079 0.000 2.631 217 F HA 0.830 5.357 4.527 -0.000 0.000 0.308 217 F C -0.162 175.604 175.800 -0.055 0.000 1.097 217 F CA -1.435 56.512 58.000 -0.088 0.000 0.952 217 F CB 1.633 40.560 39.000 -0.122 0.000 1.307 217 F HN 0.640 nan 8.300 nan 0.000 0.450 218 S N 1.117 116.881 115.700 0.107 0.000 2.593 218 S HA 0.675 5.145 4.470 0.000 0.000 0.297 218 S C -1.694 173.069 174.600 0.271 0.000 1.112 218 S CA -0.581 57.660 58.200 0.068 0.000 1.043 218 S CB 1.687 64.905 63.200 0.030 0.000 1.054 218 S HN 0.899 nan 8.310 nan 0.000 0.516 219 Y N 1.588 121.981 120.300 0.155 0.000 2.326 219 Y HA 0.454 5.005 4.550 0.000 0.000 0.331 219 Y C -1.076 174.942 175.900 0.198 0.000 0.962 219 Y CA -0.758 57.500 58.100 0.263 0.000 1.167 219 Y CB 1.372 40.097 38.460 0.443 0.000 1.148 219 Y HN 0.905 nan 8.280 nan 0.000 0.463 220 D N 4.476 124.695 120.400 -0.302 0.000 2.412 220 D HA 0.218 4.858 4.640 0.000 0.000 0.224 220 D C -0.859 175.297 176.300 -0.240 0.000 1.093 220 D CA -0.158 53.754 54.000 -0.147 0.000 0.850 220 D CB 1.101 41.845 40.800 -0.094 0.000 1.046 220 D HN 0.437 nan 8.370 nan 0.000 0.507 221 T N 3.865 118.470 114.554 0.084 0.000 2.814 221 T HA 0.129 4.479 4.350 0.000 0.000 0.297 221 T C 0.494 175.297 174.700 0.173 0.000 0.956 221 T CA -0.476 61.767 62.100 0.239 0.000 1.123 221 T CB 0.526 69.766 68.868 0.621 0.000 0.902 221 T HN 0.341 nan 8.240 nan 0.000 0.528 222 R N 2.617 123.173 120.500 0.093 0.000 2.483 222 R HA 0.068 4.408 4.340 0.000 0.000 0.329 222 R C -0.238 176.164 176.300 0.169 0.000 0.961 222 R CA -0.101 56.043 56.100 0.074 0.000 1.041 222 R CB -0.947 29.340 30.300 -0.022 0.000 0.930 222 R HN 0.926 nan 8.270 nan 0.000 0.413 223 C N 5.309 124.740 119.300 0.217 0.000 3.442 223 C HA -0.162 4.298 4.460 0.000 0.000 0.288 223 C C 1.277 176.468 174.990 0.335 0.000 1.238 223 C CA 0.088 59.281 59.018 0.292 0.000 2.320 223 C CB -2.912 25.054 27.740 0.376 0.000 1.459 223 C HN 1.012 nan 8.230 nan 0.000 0.544 224 F N 1.762 121.831 119.950 0.199 0.000 2.091 224 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 224 F C 1.959 177.871 175.800 0.187 0.000 1.103 224 F CA 2.448 60.565 58.000 0.196 0.000 1.228 224 F CB 0.023 39.127 39.000 0.174 0.000 0.984 224 F HN 0.492 nan 8.300 nan 0.000 0.477 225 D N -0.499 120.103 120.400 0.337 0.000 2.149 225 D HA -0.162 4.478 4.640 0.000 0.000 0.198 225 D C 2.444 178.794 176.300 0.084 0.000 0.990 225 D CA 1.633 55.766 54.000 0.222 0.000 0.839 225 D CB -0.504 40.444 40.800 0.247 0.000 0.948 225 D HN 0.228 nan 8.370 nan 0.000 0.460 226 S N -0.566 115.211 115.700 0.128 0.000 2.447 226 S HA -0.104 4.366 4.470 0.000 0.000 0.233 226 S C 2.000 176.559 174.600 -0.069 0.000 1.006 226 S CA 1.395 59.583 58.200 -0.020 0.000 0.957 226 S CB -0.223 62.980 63.200 0.005 0.000 0.773 226 S HN 0.528 nan 8.310 nan 0.000 0.507 227 T N -0.610 113.982 114.554 0.063 0.000 3.088 227 T HA 0.156 4.506 4.350 0.000 0.000 0.259 227 T C 0.541 175.165 174.700 -0.127 0.000 1.122 227 T CA -0.028 62.100 62.100 0.047 0.000 1.095 227 T CB -0.336 68.530 68.868 -0.003 0.000 0.930 227 T HN 0.021 nan 8.240 nan 0.000 0.508 228 V N 4.119 123.921 119.914 -0.187 0.000 2.439 228 V HA 0.312 4.432 4.120 0.000 0.000 0.271 228 V C 1.156 177.191 176.094 -0.097 0.000 1.040 228 V CA -0.314 61.893 62.300 -0.156 0.000 1.002 228 V CB 0.144 31.910 31.823 -0.096 0.000 1.000 228 V HN 0.715 nan 8.190 nan 0.000 0.477 229 T N 0.944 115.458 114.554 -0.068 0.000 2.862 229 T HA 0.280 4.630 4.350 0.000 0.000 0.276 229 T C 1.127 175.805 174.700 -0.036 0.000 0.974 229 T CA -0.136 61.930 62.100 -0.057 0.000 0.966 229 T CB 1.299 70.141 68.868 -0.043 0.000 1.072 229 T HN 0.703 nan 8.240 nan 0.000 0.538 230 E N 0.618 120.798 120.200 -0.032 0.000 2.097 230 E HA -0.318 4.032 4.350 0.000 0.000 0.196 230 E C 1.955 178.555 176.600 -0.000 0.000 1.000 230 E CA 1.873 58.267 56.400 -0.010 0.000 0.804 230 E CB -0.307 29.388 29.700 -0.009 0.000 0.740 230 E HN 0.778 nan 8.360 nan 0.000 0.454 231 N N 0.526 119.221 118.700 -0.008 0.000 2.104 231 N HA -0.203 4.537 4.740 0.000 0.000 0.190 231 N C 1.482 177.004 175.510 0.019 0.000 1.024 231 N CA 2.059 55.110 53.050 0.001 0.000 0.853 231 N CB -0.157 38.319 38.487 -0.018 0.000 1.008 231 N HN 0.162 nan 8.380 nan 0.000 0.424 232 D N -0.065 120.345 120.400 0.016 0.000 2.149 232 D HA -0.112 4.528 4.640 0.000 0.000 0.198 232 D C 1.893 178.204 176.300 0.017 0.000 0.990 232 D CA 0.990 55.011 54.000 0.036 0.000 0.839 232 D CB -0.162 40.650 40.800 0.020 0.000 0.948 232 D HN 0.478 nan 8.370 nan 0.000 0.460 233 I N 0.364 120.944 120.570 0.016 0.000 2.500 233 I HA -0.118 4.052 4.170 0.000 0.000 0.252 233 I C 2.446 178.575 176.117 0.019 0.000 1.142 233 I CA 0.555 61.870 61.300 0.026 0.000 1.451 233 I CB 0.010 38.046 38.000 0.061 0.000 1.093 233 I HN -0.135 nan 8.210 nan 0.000 0.430 234 R N 0.190 120.701 120.500 0.019 0.000 2.075 234 R HA -0.088 4.252 4.340 0.000 0.000 0.232 234 R C 2.358 178.644 176.300 -0.024 0.000 1.126 234 R CA 1.072 57.177 56.100 0.010 0.000 0.963 234 R CB -0.470 29.839 30.300 0.015 0.000 0.858 234 R HN 0.182 nan 8.270 nan 0.000 0.435 235 V N 1.815 121.718 119.914 -0.018 0.000 2.287 235 V HA -0.294 3.826 4.120 0.000 0.000 0.248 235 V C 2.518 178.525 176.094 -0.146 0.000 1.053 235 V CA 2.188 64.462 62.300 -0.043 0.000 1.027 235 V CB -0.576 31.261 31.823 0.022 0.000 0.646 235 V HN 0.461 nan 8.190 nan 0.000 0.447 236 E N 0.106 120.193 120.200 -0.188 0.000 2.085 236 E HA -0.318 4.032 4.350 0.000 0.000 0.194 236 E C 2.241 178.412 176.600 -0.715 0.000 0.994 236 E CA 1.906 58.055 56.400 -0.418 0.000 0.801 236 E CB -0.279 29.244 29.700 -0.295 0.000 0.743 236 E HN 0.712 nan 8.360 nan 0.000 0.453 237 E N 0.436 120.427 120.200 -0.349 0.000 2.072 237 E HA -0.172 4.178 4.350 0.000 0.000 0.191 237 E C 2.234 178.767 176.600 -0.112 0.000 0.985 237 E CA 1.526 57.831 56.400 -0.157 0.000 0.801 237 E CB -0.102 29.639 29.700 0.067 0.000 0.750 237 E HN 0.380 nan 8.360 nan 0.000 0.452 238 S N 0.377 116.015 115.700 -0.103 0.000 2.419 238 S HA -0.145 4.325 4.470 0.000 0.000 0.235 238 S C 2.059 176.609 174.600 -0.083 0.000 1.019 238 S CA 0.963 59.127 58.200 -0.061 0.000 0.982 238 S CB -0.552 62.618 63.200 -0.048 0.000 0.789 238 S HN 0.292 nan 8.310 nan 0.000 0.490 239 I N -0.017 120.445 120.570 -0.180 0.000 2.202 239 I HA -0.122 4.048 4.170 0.000 0.000 0.242 239 I C 2.351 178.445 176.117 -0.038 0.000 1.091 239 I CA 1.280 62.487 61.300 -0.155 0.000 1.368 239 I CB -0.540 37.319 38.000 -0.235 0.000 1.058 239 I HN 0.210 nan 8.210 nan 0.000 0.410 240 Y N 1.268 121.558 120.300 -0.016 0.000 2.128 240 Y HA -0.238 4.312 4.550 0.000 0.000 0.284 240 Y C 2.684 178.585 175.900 0.001 0.000 1.154 240 Y CA 0.746 58.841 58.100 -0.008 0.000 1.149 240 Y CB -1.119 37.350 38.460 0.015 0.000 0.976 240 Y HN 0.247 nan 8.280 nan 0.000 0.505 241 Q N -1.202 118.695 119.800 0.162 0.000 2.439 241 Q HA -0.134 4.206 4.340 0.000 0.000 0.211 241 Q C 2.235 178.268 176.000 0.056 0.000 0.978 241 Q CA 0.979 56.838 55.803 0.093 0.000 0.897 241 Q CB -0.863 27.914 28.738 0.064 0.000 0.956 241 Q HN 0.515 nan 8.270 nan 0.000 0.483 242 C N -0.026 119.301 119.300 0.044 0.000 2.481 242 C HA 0.021 4.481 4.460 0.000 0.000 0.275 242 C C 1.553 176.558 174.990 0.026 0.000 1.419 242 C CA -0.812 58.219 59.018 0.022 0.000 1.773 242 C CB -0.739 27.002 27.740 0.002 0.000 1.862 242 C HN 0.403 nan 8.230 nan 0.000 0.530 243 C N 1.564 120.889 119.300 0.043 0.000 2.649 243 C HA 0.165 4.625 4.460 0.000 0.000 0.377 243 C C 0.582 175.589 174.990 0.029 0.000 1.321 243 C CA -0.180 58.857 59.018 0.033 0.000 2.368 243 C CB -0.074 27.691 27.740 0.042 0.000 2.597 243 C HN 0.481 nan 8.230 nan 0.000 0.678 244 D N 1.574 121.986 120.400 0.021 0.000 2.352 244 D HA 0.432 5.072 4.640 0.000 0.000 0.245 244 D C -0.700 175.617 176.300 0.028 0.000 1.224 244 D CA 0.366 54.379 54.000 0.021 0.000 0.879 244 D CB -0.021 40.788 40.800 0.015 0.000 1.057 244 D HN 0.362 nan 8.370 nan 0.000 0.491 245 L N 2.119 123.363 121.223 0.035 0.000 2.354 245 L HA 0.637 4.977 4.340 0.000 0.000 0.264 245 L C 0.433 177.332 176.870 0.048 0.000 1.008 245 L CA -1.445 53.422 54.840 0.045 0.000 0.819 245 L CB 1.847 43.940 42.059 0.056 0.000 1.339 245 L HN 0.326 nan 8.230 nan 0.000 0.420 246 A N 2.125 124.981 122.820 0.059 0.000 2.498 246 A HA 0.294 4.614 4.320 0.000 0.000 0.239 246 A C -1.825 175.803 177.584 0.074 0.000 1.068 246 A CA -0.739 51.338 52.037 0.067 0.000 0.766 246 A CB -0.201 18.849 19.000 0.084 0.000 1.003 246 A HN 0.625 nan 8.150 nan 0.000 0.497 247 P HA -0.094 nan 4.420 nan 0.000 0.222 247 P C 0.987 178.322 177.300 0.060 0.000 1.147 247 P CA 1.174 64.304 63.100 0.051 0.000 0.790 247 P CB 0.238 31.961 31.700 0.039 0.000 0.780 248 E N -0.506 119.758 120.200 0.107 0.000 2.152 248 E HA -0.081 4.269 4.350 0.000 0.000 0.192 248 E C 2.013 178.709 176.600 0.161 0.000 0.983 248 E CA 0.822 57.312 56.400 0.150 0.000 0.818 248 E CB -0.313 29.579 29.700 0.322 0.000 0.758 248 E HN 0.153 nan 8.360 nan 0.000 0.467 249 A N 1.421 124.354 122.820 0.189 0.000 1.873 249 A HA -0.173 4.147 4.320 0.000 0.000 0.215 249 A C 2.046 179.679 177.584 0.082 0.000 1.186 249 A CA 1.089 53.234 52.037 0.179 0.000 0.616 249 A CB -0.322 18.767 19.000 0.149 0.000 0.823 249 A HN 0.074 nan 8.150 nan 0.000 0.442 250 R N -1.044 119.492 120.500 0.060 0.000 2.091 250 R HA -0.205 4.135 4.340 0.000 0.000 0.238 250 R C 2.543 178.844 176.300 0.002 0.000 1.136 250 R CA 1.859 57.983 56.100 0.039 0.000 0.959 250 R CB -0.280 30.041 30.300 0.035 0.000 0.856 250 R HN 0.687 nan 8.270 nan 0.000 0.437 251 Q N 0.522 120.301 119.800 -0.035 0.000 2.016 251 Q HA -0.082 4.258 4.340 0.000 0.000 0.200 251 Q C 1.951 177.857 176.000 -0.158 0.000 0.978 251 Q CA 2.037 57.785 55.803 -0.092 0.000 0.833 251 Q CB -0.279 28.387 28.738 -0.119 0.000 0.895 251 Q HN 0.317 nan 8.270 nan 0.000 0.427 252 A N 0.196 122.866 122.820 -0.250 0.000 1.940 252 A HA -0.150 4.171 4.320 0.000 0.000 0.219 252 A C 2.135 179.627 177.584 -0.153 0.000 1.176 252 A CA 1.561 53.376 52.037 -0.370 0.000 0.631 252 A CB -0.768 17.814 19.000 -0.696 0.000 0.814 252 A HN 0.510 nan 8.150 nan 0.000 0.446 253 I N -0.755 119.795 120.570 -0.034 0.000 2.252 253 I HA -0.234 3.936 4.170 0.000 0.000 0.245 253 I C 2.522 178.676 176.117 0.063 0.000 1.102 253 I CA 1.756 63.095 61.300 0.066 0.000 1.385 253 I CB -0.217 37.854 38.000 0.119 0.000 1.064 253 I HN 0.365 nan 8.210 nan 0.000 0.414 254 K N 0.490 120.904 120.400 0.022 0.000 2.057 254 K HA -0.219 4.101 4.320 0.000 0.000 0.207 254 K C 2.359 178.941 176.600 -0.031 0.000 1.049 254 K CA 1.849 58.145 56.287 0.015 0.000 0.931 254 K CB -0.104 32.393 32.500 -0.005 0.000 0.714 254 K HN 0.143 nan 8.250 nan 0.000 0.440 255 S N 0.603 116.252 115.700 -0.085 0.000 2.345 255 S HA -0.084 4.386 4.470 0.000 0.000 0.220 255 S C 1.965 176.469 174.600 -0.160 0.000 1.031 255 S CA 1.067 59.192 58.200 -0.124 0.000 0.996 255 S CB -0.258 62.836 63.200 -0.177 0.000 0.882 255 S HN 0.360 nan 8.310 nan 0.000 0.445 256 L N 0.845 121.938 121.223 -0.216 0.000 2.083 256 L HA -0.104 4.236 4.340 0.000 0.000 0.209 256 L C 2.769 179.321 176.870 -0.532 0.000 1.083 256 L CA 1.552 56.139 54.840 -0.422 0.000 0.752 256 L CB -0.977 40.775 42.059 -0.511 0.000 0.899 256 L HN 0.361 nan 8.230 nan 0.000 0.433 257 T N -0.868 113.580 114.554 -0.176 0.000 2.622 257 T HA -0.175 4.175 4.350 0.000 0.000 0.266 257 T C 1.754 176.459 174.700 0.008 0.000 1.047 257 T CA 1.332 63.474 62.100 0.071 0.000 1.159 257 T CB -0.138 68.844 68.868 0.189 0.000 0.863 257 T HN 0.325 nan 8.240 nan 0.000 0.422 258 E N 0.911 121.099 120.200 -0.020 0.000 2.150 258 E HA -0.040 4.310 4.350 0.000 0.000 0.193 258 E C 2.359 178.941 176.600 -0.029 0.000 0.985 258 E CA 0.865 57.257 56.400 -0.013 0.000 0.814 258 E CB -0.101 29.588 29.700 -0.019 0.000 0.752 258 E HN 0.467 nan 8.360 nan 0.000 0.466 259 R N -0.531 119.922 120.500 -0.078 0.000 2.206 259 R HA 0.104 4.444 4.340 0.000 0.000 0.198 259 R C 1.932 178.177 176.300 -0.092 0.000 0.986 259 R CA 0.352 56.407 56.100 -0.075 0.000 1.029 259 R CB 0.246 30.488 30.300 -0.096 0.000 0.966 259 R HN 0.049 nan 8.270 nan 0.000 0.487 260 L N -2.207 118.919 121.223 -0.162 0.000 2.664 260 L HA 0.197 4.537 4.340 0.000 0.000 0.198 260 L C 1.311 178.166 176.870 -0.025 0.000 1.057 260 L CA 0.695 55.442 54.840 -0.155 0.000 0.871 260 L CB -0.251 41.648 42.059 -0.267 0.000 1.364 260 L HN -0.134 nan 8.230 nan 0.000 0.483 261 Y N 0.570 120.883 120.300 0.022 0.000 2.181 261 Y HA -0.058 4.492 4.550 -0.000 0.000 0.288 261 Y C 2.591 178.493 175.900 0.004 0.000 1.146 261 Y CA 1.534 59.653 58.100 0.033 0.000 1.164 261 Y CB -0.844 37.658 38.460 0.071 0.000 0.982 261 Y HN 0.134 nan 8.280 nan 0.000 0.515 262 I N -1.079 119.578 120.570 0.146 0.000 2.394 262 I HA -0.041 4.129 4.170 0.000 0.000 0.251 262 I C 1.184 177.306 176.117 0.007 0.000 1.136 262 I CA 1.276 62.617 61.300 0.069 0.000 1.425 262 I CB -0.349 37.684 38.000 0.056 0.000 1.079 262 I HN 0.305 nan 8.210 nan 0.000 0.425 263 G N -0.919 107.864 108.800 -0.027 0.000 2.324 263 G HA2 0.476 4.436 3.960 0.000 0.000 0.293 263 G HA3 0.476 4.436 3.960 0.000 0.000 0.293 263 G C -1.053 173.682 174.900 -0.274 0.000 1.297 263 G CA -0.126 44.876 45.100 -0.163 0.000 0.853 263 G HN 0.384 nan 8.290 nan 0.000 0.535 264 G N -0.833 107.509 108.800 -0.763 0.000 2.340 264 G HA2 0.688 4.648 3.960 0.000 0.000 0.300 264 G HA3 0.688 4.648 3.960 0.000 0.000 0.300 264 G C -3.488 170.853 174.900 -0.931 0.000 1.488 264 G CA 0.021 44.701 45.100 -0.700 0.000 0.878 264 G HN 0.733 nan 8.290 nan 0.000 0.618 265 P HA 0.460 nan 4.420 nan 0.000 0.274 265 P C -0.473 176.751 177.300 -0.127 0.000 1.231 265 P CA -0.179 62.843 63.100 -0.129 0.000 0.790 265 P CB 1.166 32.907 31.700 0.067 0.000 0.951 266 L N 1.982 123.171 121.223 -0.058 0.000 2.322 266 L HA 0.490 4.830 4.340 0.000 0.000 0.281 266 L C 0.383 177.263 176.870 0.016 0.000 1.014 266 L CA -0.250 54.579 54.840 -0.019 0.000 0.815 266 L CB 1.826 43.911 42.059 0.043 0.000 1.247 266 L HN 0.264 nan 8.230 nan 0.000 0.421 267 T N 1.599 116.140 114.554 -0.021 0.000 2.841 267 T HA 0.300 4.650 4.350 0.000 0.000 0.285 267 T C -0.235 174.447 174.700 -0.031 0.000 0.991 267 T CA -0.832 61.256 62.100 -0.021 0.000 0.966 267 T CB 1.319 70.157 68.868 -0.051 0.000 0.962 267 T HN 0.659 nan 8.240 nan 0.000 0.438 268 N N 1.119 119.818 118.700 -0.001 0.000 2.327 268 N HA 0.092 4.832 4.740 0.000 0.000 0.257 268 N C 1.396 176.896 175.510 -0.016 0.000 1.281 268 N CA -0.299 52.750 53.050 -0.002 0.000 0.942 268 N CB 0.164 38.659 38.487 0.013 0.000 1.199 268 N HN 0.434 nan 8.380 nan 0.000 0.532 269 S N -1.373 114.327 115.700 -0.001 0.000 2.474 269 S HA -0.071 4.399 4.470 0.000 0.000 0.235 269 S C 0.830 175.426 174.600 -0.007 0.000 0.997 269 S CA 0.501 58.702 58.200 0.002 0.000 0.949 269 S CB -0.439 62.777 63.200 0.027 0.000 0.766 269 S HN 0.644 nan 8.310 nan 0.000 0.517 270 K N 0.836 121.232 120.400 -0.006 0.000 2.404 270 K HA 0.304 4.624 4.320 0.000 0.000 0.194 270 K C 1.151 177.742 176.600 -0.015 0.000 1.023 270 K CA 0.374 56.656 56.287 -0.009 0.000 1.094 270 K CB -0.008 32.491 32.500 -0.002 0.000 0.841 270 K HN 0.509 nan 8.250 nan 0.000 0.523 271 G N 2.011 110.799 108.800 -0.020 0.000 2.141 271 G HA2 -0.282 3.678 3.960 0.000 0.000 0.242 271 G HA3 -0.282 3.678 3.960 0.000 0.000 0.242 271 G C -0.242 174.652 174.900 -0.010 0.000 0.982 271 G CA -0.105 44.980 45.100 -0.026 0.000 0.662 271 G HN 0.372 nan 8.290 nan 0.000 0.527 272 Q N -0.038 119.763 119.800 0.001 0.000 2.259 272 Q HA 0.319 4.659 4.340 0.000 0.000 0.246 272 Q C 0.369 176.387 176.000 0.029 0.000 0.920 272 Q CA -0.535 55.277 55.803 0.016 0.000 0.895 272 Q CB 0.972 29.722 28.738 0.021 0.000 1.220 272 Q HN 0.401 nan 8.270 nan 0.000 0.439 273 N N 1.314 120.039 118.700 0.041 0.000 2.420 273 N HA 0.034 4.774 4.740 0.000 0.000 0.262 273 N C -0.168 175.399 175.510 0.095 0.000 1.144 273 N CA -0.462 52.624 53.050 0.061 0.000 0.952 273 N CB 0.549 39.073 38.487 0.061 0.000 1.081 273 N HN 0.604 nan 8.380 nan 0.000 0.480 274 C N 2.938 122.317 119.300 0.131 0.000 2.634 274 C HA 0.385 4.845 4.460 0.000 0.000 0.268 274 C C 1.304 176.477 174.990 0.305 0.000 1.322 274 C CA 0.335 59.493 59.018 0.234 0.000 1.737 274 C CB -1.235 26.683 27.740 0.296 0.000 1.976 274 C HN 0.980 nan 8.230 nan 0.000 0.547 275 G N -1.005 107.896 108.800 0.168 0.000 2.247 275 G HA2 0.180 4.140 3.960 0.000 0.000 0.229 275 G HA3 0.180 4.140 3.960 0.000 0.000 0.229 275 G C -1.881 173.055 174.900 0.060 0.000 1.345 275 G CA -0.423 44.736 45.100 0.098 0.000 1.100 275 G HN 0.080 nan 8.290 nan 0.000 0.473 276 Y N 0.935 121.123 120.300 -0.188 0.000 2.457 276 Y HA 0.764 5.314 4.550 -0.000 0.000 0.343 276 Y C -0.030 175.730 175.900 -0.233 0.000 0.994 276 Y CA -0.817 57.186 58.100 -0.162 0.000 1.031 276 Y CB 1.933 40.315 38.460 -0.131 0.000 1.246 276 Y HN 0.712 nan 8.280 nan 0.000 0.449 277 R N 5.014 125.136 120.500 -0.630 0.000 2.445 277 R HA 0.535 4.875 4.340 0.000 0.000 0.308 277 R C -0.750 175.282 176.300 -0.447 0.000 0.961 277 R CA -0.606 55.182 56.100 -0.520 0.000 0.862 277 R CB 0.991 31.087 30.300 -0.340 0.000 1.144 277 R HN 0.932 nan 8.270 nan 0.000 0.447 278 R N 3.100 123.350 120.500 -0.417 0.000 2.662 278 R HA 0.215 4.555 4.340 0.000 0.000 0.396 278 R C -0.537 175.604 176.300 -0.265 0.000 1.096 278 R CA -0.226 55.739 56.100 -0.226 0.000 1.081 278 R CB 0.387 30.607 30.300 -0.134 0.000 1.382 278 R HN 0.783 nan 8.270 nan 0.000 0.580 279 C N -2.251 116.849 119.300 -0.334 0.000 3.311 279 C HA 0.586 5.046 4.460 0.000 0.000 0.366 279 C C -0.406 174.507 174.990 -0.129 0.000 1.694 279 C CA -1.572 57.297 59.018 -0.248 0.000 1.244 279 C CB 1.176 28.702 27.740 -0.358 0.000 2.038 279 C HN 0.308 nan 8.230 nan 0.000 0.436 280 R N 1.222 121.699 120.500 -0.039 0.000 2.502 280 R HA 0.462 4.802 4.340 0.000 0.000 0.292 280 R C 0.159 176.510 176.300 0.085 0.000 0.998 280 R CA 1.040 57.171 56.100 0.051 0.000 1.056 280 R CB -0.174 30.195 30.300 0.114 0.000 0.939 280 R HN 1.208 nan 8.270 nan 0.000 0.411 281 A N 3.397 126.283 122.820 0.109 0.000 2.363 281 A HA 0.263 4.583 4.320 0.000 0.000 0.270 281 A C 0.816 178.499 177.584 0.165 0.000 1.121 281 A CA 0.040 52.165 52.037 0.146 0.000 0.800 281 A CB 0.604 19.702 19.000 0.163 0.000 1.052 281 A HN 0.986 nan 8.150 nan 0.000 0.493 282 S N 1.632 117.444 115.700 0.186 0.000 2.528 282 S HA 0.145 4.615 4.470 0.000 0.000 0.219 282 S C 1.053 175.755 174.600 0.170 0.000 0.985 282 S CA 0.558 58.864 58.200 0.177 0.000 0.914 282 S CB 0.183 63.495 63.200 0.187 0.000 0.776 282 S HN 1.224 nan 8.310 nan 0.000 0.526 283 G N 2.057 110.982 108.800 0.209 0.000 4.291 283 G HA2 0.521 4.481 3.960 0.000 0.000 0.304 283 G HA3 0.521 4.481 3.960 0.000 0.000 0.304 283 G C -0.101 174.936 174.900 0.228 0.000 1.264 283 G CA -0.151 45.081 45.100 0.221 0.000 1.039 283 G HN 0.541 nan 8.290 nan 0.000 0.578 284 V N -2.549 117.480 119.914 0.192 0.000 3.046 284 V HA 0.590 4.710 4.120 0.000 0.000 0.316 284 V C 1.370 177.549 176.094 0.141 0.000 1.104 284 V CA -0.957 61.473 62.300 0.218 0.000 1.006 284 V CB 1.744 33.771 31.823 0.340 0.000 1.058 284 V HN 0.061 nan 8.190 nan 0.000 0.440 285 L N 2.525 123.846 121.223 0.163 0.000 2.079 285 L HA -0.059 4.281 4.340 0.000 0.000 0.210 285 L C 2.326 179.212 176.870 0.027 0.000 1.081 285 L CA 3.138 58.052 54.840 0.124 0.000 0.752 285 L CB -0.785 41.376 42.059 0.168 0.000 0.896 285 L HN 1.101 nan 8.230 nan 0.000 0.433 286 T N -5.833 108.666 114.554 -0.092 0.000 3.129 286 T HA -0.007 4.343 4.350 0.000 0.000 0.251 286 T C 1.590 176.235 174.700 -0.091 0.000 1.117 286 T CA 0.710 62.714 62.100 -0.161 0.000 1.034 286 T CB -0.768 67.871 68.868 -0.382 0.000 0.968 286 T HN 0.287 nan 8.240 nan 0.000 0.526 287 T N 2.167 116.699 114.554 -0.036 0.000 2.624 287 T HA -0.202 4.148 4.350 0.000 0.000 0.268 287 T C 2.199 176.929 174.700 0.050 0.000 1.041 287 T CA 2.005 64.124 62.100 0.031 0.000 1.159 287 T CB -0.697 68.216 68.868 0.075 0.000 0.863 287 T HN 0.591 nan 8.240 nan 0.000 0.434 288 S N -0.359 115.350 115.700 0.016 0.000 2.345 288 S HA -0.128 4.342 4.470 0.000 0.000 0.219 288 S C 2.456 177.095 174.600 0.065 0.000 1.031 288 S CA 1.366 59.578 58.200 0.019 0.000 0.984 288 S CB -0.967 62.158 63.200 -0.126 0.000 0.874 288 S HN 0.674 nan 8.310 nan 0.000 0.451 289 C N 1.408 120.712 119.300 0.006 0.000 2.429 289 C HA 0.118 4.578 4.460 0.000 0.000 0.277 289 C C 2.832 177.867 174.990 0.074 0.000 1.262 289 C CA 1.143 60.175 59.018 0.023 0.000 1.733 289 C CB -1.825 25.893 27.740 -0.037 0.000 2.010 289 C HN 0.719 nan 8.230 nan 0.000 0.483 290 G N 0.373 109.225 108.800 0.087 0.000 2.418 290 G HA2 -0.200 3.760 3.960 0.000 0.000 0.217 290 G HA3 -0.200 3.760 3.960 0.000 0.000 0.217 290 G C 1.533 176.517 174.900 0.140 0.000 1.158 290 G CA 0.994 46.150 45.100 0.094 0.000 0.771 290 G HN 0.585 nan 8.290 nan 0.000 0.545 291 N N 0.395 119.194 118.700 0.166 0.000 2.166 291 N HA -0.071 4.669 4.740 0.000 0.000 0.186 291 N C 2.405 177.963 175.510 0.080 0.000 1.019 291 N CA 1.565 54.746 53.050 0.219 0.000 0.856 291 N CB -0.596 37.958 38.487 0.111 0.000 0.993 291 N HN 0.250 nan 8.380 nan 0.000 0.426 292 T N 1.675 116.283 114.554 0.091 0.000 2.737 292 T HA 0.014 4.364 4.350 0.000 0.000 0.265 292 T C 2.152 176.922 174.700 0.116 0.000 1.038 292 T CA 0.631 62.792 62.100 0.102 0.000 1.144 292 T CB -0.307 68.696 68.868 0.225 0.000 0.866 292 T HN 0.116 nan 8.240 nan 0.000 0.434 293 L N 0.718 121.989 121.223 0.080 0.000 2.012 293 L HA -0.142 4.198 4.340 0.000 0.000 0.210 293 L C 2.943 179.897 176.870 0.140 0.000 1.073 293 L CA 1.348 56.221 54.840 0.055 0.000 0.748 293 L CB -1.089 40.955 42.059 -0.024 0.000 0.891 293 L HN 0.288 nan 8.230 nan 0.000 0.431 294 T N -1.490 113.168 114.554 0.173 0.000 2.821 294 T HA -0.209 4.141 4.350 0.000 0.000 0.267 294 T C 2.000 176.899 174.700 0.332 0.000 1.046 294 T CA 1.308 63.548 62.100 0.232 0.000 1.139 294 T CB -0.397 68.640 68.868 0.282 0.000 0.871 294 T HN 0.451 nan 8.240 nan 0.000 0.454 295 C N 0.671 120.189 119.300 0.365 0.000 2.429 295 C HA -0.072 4.388 4.460 0.000 0.000 0.277 295 C C 2.385 177.510 174.990 0.225 0.000 1.262 295 C CA 0.450 59.651 59.018 0.303 0.000 1.733 295 C CB -1.343 26.399 27.740 0.003 0.000 2.010 295 C HN 0.676 nan 8.230 nan 0.000 0.483 296 Y N 0.875 121.218 120.300 0.072 0.000 2.242 296 Y HA -0.088 4.462 4.550 -0.000 0.000 0.291 296 Y C 2.130 178.039 175.900 0.015 0.000 1.137 296 Y CA 1.950 60.076 58.100 0.042 0.000 1.181 296 Y CB -0.463 38.007 38.460 0.016 0.000 0.989 296 Y HN 0.333 nan 8.280 nan 0.000 0.527 297 L N 1.149 122.452 121.223 0.133 0.000 1.994 297 L HA -0.167 4.173 4.340 0.000 0.000 0.208 297 L C 2.061 178.837 176.870 -0.158 0.000 1.071 297 L CA 2.003 56.805 54.840 -0.064 0.000 0.745 297 L CB -0.931 41.063 42.059 -0.109 0.000 0.892 297 L HN 0.136 nan 8.230 nan 0.000 0.431 298 K N -0.403 119.971 120.400 -0.043 0.000 2.097 298 K HA -0.044 4.276 4.320 0.000 0.000 0.205 298 K C 2.062 178.658 176.600 -0.006 0.000 1.050 298 K CA 1.258 57.522 56.287 -0.038 0.000 0.938 298 K CB -0.378 32.196 32.500 0.123 0.000 0.718 298 K HN 0.492 nan 8.250 nan 0.000 0.442 299 A N 1.160 123.973 122.820 -0.012 0.000 1.897 299 A HA -0.111 4.209 4.320 0.000 0.000 0.215 299 A C 2.202 179.798 177.584 0.020 0.000 1.181 299 A CA 1.594 53.646 52.037 0.025 0.000 0.620 299 A CB -0.426 18.683 19.000 0.182 0.000 0.821 299 A HN 0.161 nan 8.150 nan 0.000 0.443 300 S N 0.376 115.968 115.700 -0.180 0.000 2.348 300 S HA -0.084 4.386 4.470 0.000 0.000 0.221 300 S C 2.357 176.896 174.600 -0.102 0.000 1.033 300 S CA 1.299 59.362 58.200 -0.228 0.000 1.010 300 S CB -0.652 62.261 63.200 -0.479 0.000 0.891 300 S HN 0.814 nan 8.310 nan 0.000 0.442 301 A N 1.737 124.507 122.820 -0.085 0.000 1.917 301 A HA -0.014 4.306 4.320 0.000 0.000 0.219 301 A C 2.363 180.006 177.584 0.098 0.000 1.182 301 A CA 1.931 53.992 52.037 0.040 0.000 0.633 301 A CB -1.155 17.873 19.000 0.046 0.000 0.819 301 A HN 0.550 nan 8.150 nan 0.000 0.448 302 A N -1.257 121.616 122.820 0.089 0.000 1.969 302 A HA -0.120 4.200 4.320 0.000 0.000 0.218 302 A C 2.270 179.870 177.584 0.027 0.000 1.169 302 A CA 1.551 53.522 52.037 -0.111 0.000 0.635 302 A CB -1.193 17.376 19.000 -0.719 0.000 0.810 302 A HN 0.613 nan 8.150 nan 0.000 0.445 303 C N -0.826 118.587 119.300 0.188 0.000 2.429 303 C HA -0.088 4.372 4.460 0.000 0.000 0.277 303 C C 2.876 177.881 174.990 0.026 0.000 1.262 303 C CA 1.104 60.263 59.018 0.235 0.000 1.733 303 C CB -1.284 26.552 27.740 0.161 0.000 2.010 303 C HN 0.605 nan 8.230 nan 0.000 0.483 304 R N 1.101 121.524 120.500 -0.128 0.000 2.066 304 R HA -0.070 4.270 4.340 0.000 0.000 0.232 304 R C 2.474 178.487 176.300 -0.479 0.000 1.131 304 R CA 1.520 57.397 56.100 -0.372 0.000 0.955 304 R CB -0.612 29.314 30.300 -0.622 0.000 0.851 304 R HN 0.523 nan 8.270 nan 0.000 0.432 305 A N 1.484 124.076 122.820 -0.381 0.000 1.917 305 A HA -0.173 4.147 4.320 0.000 0.000 0.219 305 A C 2.258 179.820 177.584 -0.038 0.000 1.182 305 A CA 1.953 53.926 52.037 -0.106 0.000 0.633 305 A CB -0.589 18.405 19.000 -0.011 0.000 0.819 305 A HN 0.421 nan 8.150 nan 0.000 0.448 306 A N -1.674 121.141 122.820 -0.007 0.000 2.238 306 A HA 0.266 4.586 4.320 0.000 0.000 0.208 306 A C 1.025 178.625 177.584 0.027 0.000 1.177 306 A CA 0.829 52.893 52.037 0.044 0.000 0.804 306 A CB -0.426 18.664 19.000 0.149 0.000 0.823 306 A HN 0.504 nan 8.150 nan 0.000 0.482 307 K N -0.635 119.761 120.400 -0.006 0.000 3.077 307 K HA -0.159 4.161 4.320 0.000 0.000 0.264 307 K C -0.761 175.848 176.600 0.015 0.000 1.008 307 K CA 0.386 56.672 56.287 -0.001 0.000 0.740 307 K CB -1.781 30.725 32.500 0.010 0.000 1.273 307 K HN 0.582 nan 8.250 nan 0.000 0.477 308 L N 1.441 122.684 121.223 0.033 0.000 2.455 308 L HA 0.043 4.383 4.340 0.000 0.000 0.272 308 L C 1.044 177.925 176.870 0.019 0.000 1.174 308 L CA -0.100 54.765 54.840 0.041 0.000 0.869 308 L CB 0.389 42.497 42.059 0.082 0.000 1.130 308 L HN 0.122 nan 8.230 nan 0.000 0.474 309 Q N 2.619 122.424 119.800 0.008 0.000 2.279 309 Q HA 0.053 4.393 4.340 0.000 0.000 0.256 309 Q C -0.097 175.893 176.000 -0.017 0.000 0.937 309 Q CA -0.161 55.638 55.803 -0.005 0.000 0.933 309 Q CB 1.074 29.806 28.738 -0.011 0.000 1.189 309 Q HN 0.494 nan 8.270 nan 0.000 0.417 310 D N 0.971 121.361 120.400 -0.016 0.000 2.689 310 D HA -0.177 4.463 4.640 0.000 0.000 0.237 310 D C -0.924 175.357 176.300 -0.030 0.000 1.148 310 D CA 0.185 54.171 54.000 -0.024 0.000 0.656 310 D CB -0.964 39.812 40.800 -0.040 0.000 1.050 310 D HN 0.560 nan 8.370 nan 0.000 0.426 311 C N 0.362 119.653 119.300 -0.016 0.000 2.611 311 C HA 0.341 4.801 4.460 0.000 0.000 0.416 311 C C 1.090 176.072 174.990 -0.014 0.000 1.366 311 C CA 0.016 59.022 59.018 -0.021 0.000 1.761 311 C CB 0.269 28.008 27.740 -0.002 0.000 2.619 311 C HN 0.423 nan 8.230 nan 0.000 0.606 312 T N 5.494 120.030 114.554 -0.030 0.000 2.841 312 T HA 0.507 4.857 4.350 0.000 0.000 0.285 312 T C -0.314 174.399 174.700 0.023 0.000 0.991 312 T CA -0.290 61.825 62.100 0.024 0.000 0.966 312 T CB 0.913 69.773 68.868 -0.014 0.000 0.962 312 T HN 0.541 nan 8.240 nan 0.000 0.438 313 M N 3.025 122.679 119.600 0.090 0.000 2.598 313 M HA 0.672 5.152 4.480 0.000 0.000 0.317 313 M C -1.140 175.268 176.300 0.179 0.000 1.201 313 M CA -1.171 54.172 55.300 0.070 0.000 0.971 313 M CB 1.668 34.298 32.600 0.050 0.000 1.657 313 M HN 0.312 nan 8.290 nan 0.000 0.470 314 L N 2.385 123.677 121.223 0.116 0.000 2.406 314 L HA 0.688 5.028 4.340 0.000 0.000 0.272 314 L C -1.524 175.349 176.870 0.004 0.000 0.980 314 L CA -0.477 54.426 54.840 0.105 0.000 0.831 314 L CB 1.871 44.024 42.059 0.158 0.000 1.253 314 L HN 0.521 nan 8.230 nan 0.000 0.406 315 V N 4.114 124.008 119.914 -0.034 0.000 2.588 315 V HA 0.587 4.707 4.120 0.000 0.000 0.304 315 V C -0.820 175.098 176.094 -0.293 0.000 1.042 315 V CA -0.665 61.590 62.300 -0.075 0.000 0.877 315 V CB 2.019 33.887 31.823 0.074 0.000 0.996 315 V HN 0.788 nan 8.190 nan 0.000 0.425 316 N N 3.496 121.956 118.700 -0.401 0.000 2.623 316 N HA 0.640 5.380 4.740 0.000 0.000 0.256 316 N C 0.550 175.869 175.510 -0.318 0.000 1.045 316 N CA 0.527 53.094 53.050 -0.805 0.000 0.863 316 N CB 1.750 39.613 38.487 -1.040 0.000 1.182 316 N HN 1.121 nan 8.380 nan 0.000 0.523 317 G N 2.428 111.195 108.800 -0.055 0.000 2.591 317 G HA2 -0.387 3.573 3.960 0.000 0.000 0.298 317 G HA3 -0.387 3.573 3.960 0.000 0.000 0.298 317 G C 0.468 175.200 174.900 -0.281 0.000 1.195 317 G CA 0.652 45.745 45.100 -0.012 0.000 0.989 317 G HN 0.619 nan 8.290 nan 0.000 0.551 318 D N 1.203 121.365 120.400 -0.397 0.000 2.349 318 D HA 0.100 4.740 4.640 0.000 0.000 0.224 318 D C 0.425 176.598 176.300 -0.211 0.000 1.029 318 D CA 0.895 54.495 54.000 -0.667 0.000 0.879 318 D CB -0.072 40.397 40.800 -0.553 0.000 0.906 318 D HN 0.419 nan 8.370 nan 0.000 0.528 319 D N 0.666 120.989 120.400 -0.128 0.000 2.280 319 D HA 0.289 4.929 4.640 0.000 0.000 0.243 319 D C -1.048 175.226 176.300 -0.043 0.000 1.129 319 D CA -0.595 53.375 54.000 -0.050 0.000 0.848 319 D CB 1.111 41.877 40.800 -0.057 0.000 1.107 319 D HN 0.038 nan 8.370 nan 0.000 0.471 320 L N 5.271 126.515 121.223 0.036 0.000 2.381 320 L HA 0.508 4.848 4.340 0.000 0.000 0.274 320 L C -1.768 175.099 176.870 -0.004 0.000 0.988 320 L CA -0.737 54.132 54.840 0.048 0.000 0.824 320 L CB 1.846 44.009 42.059 0.174 0.000 1.263 320 L HN 0.141 nan 8.230 nan 0.000 0.410 321 V N 6.148 126.016 119.914 -0.077 0.000 2.588 321 V HA 0.775 4.895 4.120 0.000 0.000 0.304 321 V C -1.258 174.669 176.094 -0.279 0.000 1.042 321 V CA -0.355 61.837 62.300 -0.179 0.000 0.877 321 V CB 2.283 34.035 31.823 -0.118 0.000 0.996 321 V HN 0.605 nan 8.190 nan 0.000 0.425 322 V N 7.700 127.249 119.914 -0.607 0.000 2.555 322 V HA 0.602 4.722 4.120 0.000 0.000 0.302 322 V C -0.331 175.459 176.094 -0.507 0.000 1.038 322 V CA -0.505 61.409 62.300 -0.643 0.000 0.887 322 V CB 1.854 32.982 31.823 -1.159 0.000 0.991 322 V HN 0.749 nan 8.190 nan 0.000 0.434 323 I N 4.669 125.091 120.570 -0.246 0.000 2.466 323 I HA 0.713 4.883 4.170 0.000 0.000 0.289 323 I C -0.162 175.875 176.117 -0.132 0.000 1.026 323 I CA -0.323 60.897 61.300 -0.132 0.000 1.078 323 I CB 1.762 39.738 38.000 -0.040 0.000 1.249 323 I HN 0.912 nan 8.210 nan 0.000 0.429 324 C N 2.293 121.517 119.300 -0.126 0.000 3.316 324 C HA 0.536 4.996 4.460 0.000 0.000 0.360 324 C C -0.743 174.171 174.990 -0.127 0.000 1.560 324 C CA -0.908 58.052 59.018 -0.097 0.000 1.229 324 C CB 1.820 29.546 27.740 -0.024 0.000 1.823 324 C HN 0.624 nan 8.230 nan 0.000 0.440 325 E N 2.020 122.168 120.200 -0.087 0.000 2.180 325 E HA 0.273 4.623 4.350 0.000 0.000 0.283 325 E C 0.243 176.820 176.600 -0.038 0.000 1.061 325 E CA 0.536 56.885 56.400 -0.085 0.000 0.861 325 E CB 1.557 31.218 29.700 -0.064 0.000 1.056 325 E HN 0.709 nan 8.360 nan 0.000 0.407 326 S N 2.113 117.798 115.700 -0.026 0.000 2.568 326 S HA 0.184 4.654 4.470 0.000 0.000 0.282 326 S C 0.543 175.157 174.600 0.024 0.000 1.338 326 S CA 0.230 58.464 58.200 0.056 0.000 1.045 326 S CB 0.547 63.838 63.200 0.152 0.000 0.873 326 S HN 0.521 nan 8.310 nan 0.000 0.516 327 A N 3.294 126.136 122.820 0.037 0.000 2.594 327 A HA 0.656 4.976 4.320 0.000 0.000 0.287 327 A C 0.847 178.437 177.584 0.009 0.000 1.227 327 A CA 0.219 52.264 52.037 0.013 0.000 0.952 327 A CB -0.834 18.173 19.000 0.012 0.000 1.161 327 A HN 1.965 nan 8.150 nan 0.000 0.524 328 G N -1.682 107.125 108.800 0.012 0.000 2.629 328 G HA2 -0.042 3.918 3.960 0.000 0.000 0.686 328 G HA3 -0.042 3.918 3.960 0.000 0.000 0.686 328 G C 0.487 175.395 174.900 0.013 0.000 1.232 328 G CA -0.141 44.947 45.100 -0.021 0.000 0.803 328 G HN 0.336 nan 8.290 nan 0.000 0.638 329 T N -0.334 114.194 114.554 -0.042 0.000 2.685 329 T HA -0.235 4.115 4.350 0.000 0.000 0.268 329 T C 2.211 176.949 174.700 0.063 0.000 1.034 329 T CA 2.663 64.770 62.100 0.012 0.000 1.149 329 T CB -0.101 68.728 68.868 -0.065 0.000 0.860 329 T HN 0.653 nan 8.240 nan 0.000 0.449 330 Q N -0.552 119.263 119.800 0.025 0.000 2.259 330 Q HA -0.009 4.331 4.340 0.000 0.000 0.201 330 Q C 2.123 178.134 176.000 0.018 0.000 0.938 330 Q CA 0.480 56.295 55.803 0.020 0.000 0.872 330 Q CB 0.255 28.997 28.738 0.006 0.000 0.971 330 Q HN 0.427 nan 8.270 nan 0.000 0.494 331 E N 1.076 121.286 120.200 0.017 0.000 2.150 331 E HA -0.158 4.192 4.350 0.000 0.000 0.193 331 E C 1.422 178.031 176.600 0.015 0.000 0.985 331 E CA 0.926 57.334 56.400 0.012 0.000 0.814 331 E CB -0.004 29.702 29.700 0.010 0.000 0.752 331 E HN 0.432 nan 8.360 nan 0.000 0.466 332 D N 1.308 121.732 120.400 0.041 0.000 2.104 332 D HA -0.136 4.504 4.640 0.000 0.000 0.194 332 D C 1.924 178.217 176.300 -0.012 0.000 0.994 332 D CA 1.654 55.677 54.000 0.038 0.000 0.830 332 D CB -0.314 40.570 40.800 0.141 0.000 0.959 332 D HN 0.168 nan 8.370 nan 0.000 0.452 333 A N 0.871 123.699 122.820 0.013 0.000 1.933 333 A HA -0.061 4.259 4.320 0.000 0.000 0.218 333 A C 2.293 179.859 177.584 -0.030 0.000 1.175 333 A CA 2.249 54.279 52.037 -0.013 0.000 0.628 333 A CB -0.648 18.359 19.000 0.012 0.000 0.814 333 A HN 0.246 nan 8.150 nan 0.000 0.444 334 A N -0.695 122.115 122.820 -0.016 0.000 1.898 334 A HA -0.030 4.290 4.320 0.000 0.000 0.216 334 A C 2.438 180.009 177.584 -0.022 0.000 1.181 334 A CA 1.936 53.965 52.037 -0.014 0.000 0.620 334 A CB -0.791 18.206 19.000 -0.005 0.000 0.819 334 A HN 0.442 nan 8.150 nan 0.000 0.442 335 S N 0.093 115.773 115.700 -0.033 0.000 2.356 335 S HA -0.082 4.388 4.470 0.000 0.000 0.223 335 S C 1.799 176.360 174.600 -0.065 0.000 1.032 335 S CA 1.410 59.589 58.200 -0.035 0.000 1.005 335 S CB -0.425 62.752 63.200 -0.039 0.000 0.867 335 S HN 0.511 nan 8.310 nan 0.000 0.449 336 L N 0.818 121.935 121.223 -0.177 0.000 2.131 336 L HA -0.059 4.281 4.340 0.000 0.000 0.210 336 L C 2.666 179.512 176.870 -0.040 0.000 1.092 336 L CA 1.144 55.813 54.840 -0.285 0.000 0.759 336 L CB -0.573 41.222 42.059 -0.440 0.000 0.903 336 L HN 0.275 nan 8.230 nan 0.000 0.435 337 R N -0.409 120.077 120.500 -0.023 0.000 2.075 337 R HA -0.099 4.241 4.340 0.000 0.000 0.232 337 R C 2.303 178.617 176.300 0.025 0.000 1.126 337 R CA 1.036 57.143 56.100 0.012 0.000 0.963 337 R CB -0.211 30.088 30.300 -0.003 0.000 0.858 337 R HN 0.165 nan 8.270 nan 0.000 0.435 338 V N 0.620 120.545 119.914 0.019 0.000 2.358 338 V HA -0.232 3.888 4.120 0.000 0.000 0.246 338 V C 1.910 178.004 176.094 0.000 0.000 1.047 338 V CA 1.614 63.916 62.300 0.003 0.000 1.035 338 V CB -0.554 31.273 31.823 0.007 0.000 0.658 338 V HN 0.228 nan 8.190 nan 0.000 0.452 339 F N 1.535 121.425 119.950 -0.100 0.000 2.087 339 F HA -0.295 4.232 4.527 -0.000 0.000 0.299 339 F C 2.417 178.148 175.800 -0.115 0.000 1.100 339 F CA 2.516 60.450 58.000 -0.110 0.000 1.226 339 F CB -0.521 38.395 39.000 -0.140 0.000 0.983 339 F HN 0.136 nan 8.300 nan 0.000 0.479 340 T N -0.218 114.413 114.554 0.130 0.000 2.777 340 T HA -0.179 4.171 4.350 0.000 0.000 0.266 340 T C 1.698 176.383 174.700 -0.026 0.000 1.040 340 T CA 1.684 63.874 62.100 0.149 0.000 1.141 340 T CB -0.328 68.695 68.868 0.258 0.000 0.868 340 T HN 0.378 nan 8.240 nan 0.000 0.444 341 E N 1.001 121.164 120.200 -0.062 0.000 2.077 341 E HA -0.049 4.301 4.350 0.000 0.000 0.193 341 E C 2.525 178.981 176.600 -0.239 0.000 0.989 341 E CA 0.954 57.287 56.400 -0.111 0.000 0.800 341 E CB -0.215 29.435 29.700 -0.083 0.000 0.746 341 E HN 0.470 nan 8.360 nan 0.000 0.452 342 A N 1.298 123.920 122.820 -0.329 0.000 1.858 342 A HA -0.218 4.102 4.320 0.000 0.000 0.216 342 A C 2.152 179.274 177.584 -0.771 0.000 1.190 342 A CA 1.431 53.114 52.037 -0.590 0.000 0.617 342 A CB -0.409 18.305 19.000 -0.476 0.000 0.827 342 A HN 0.119 nan 8.150 nan 0.000 0.443 343 M N -0.126 119.146 119.600 -0.546 0.000 2.089 343 M HA -0.163 4.317 4.480 0.000 0.000 0.257 343 M C 2.194 178.419 176.300 -0.125 0.000 1.071 343 M CA 2.318 57.434 55.300 -0.307 0.000 1.096 343 M CB -2.158 30.154 32.600 -0.479 0.000 1.330 343 M HN 0.482 nan 8.290 nan 0.000 0.403 344 T N -0.073 114.405 114.554 -0.127 0.000 2.737 344 T HA -0.102 4.248 4.350 0.000 0.000 0.265 344 T C 1.949 176.590 174.700 -0.098 0.000 1.038 344 T CA 1.104 63.170 62.100 -0.056 0.000 1.144 344 T CB -0.215 68.629 68.868 -0.039 0.000 0.866 344 T HN 0.380 nan 8.240 nan 0.000 0.434 345 R N 0.072 120.443 120.500 -0.216 0.000 2.159 345 R HA -0.083 4.257 4.340 0.000 0.000 0.237 345 R C 1.460 177.698 176.300 -0.104 0.000 1.131 345 R CA 1.135 57.106 56.100 -0.216 0.000 0.982 345 R CB -0.267 29.824 30.300 -0.348 0.000 0.868 345 R HN 0.438 nan 8.270 nan 0.000 0.453 346 Y N -0.203 120.040 120.300 -0.095 0.000 2.471 346 Y HA 0.139 4.689 4.550 -0.000 0.000 0.286 346 Y C 0.829 176.681 175.900 -0.080 0.000 1.188 346 Y CA -0.608 57.425 58.100 -0.112 0.000 1.286 346 Y CB -0.017 38.399 38.460 -0.073 0.000 1.072 346 Y HN -0.073 nan 8.280 nan 0.000 0.517 347 S N 0.159 115.906 115.700 0.079 0.000 3.884 347 S HA -0.119 4.351 4.470 0.000 0.000 0.374 347 S C -0.019 174.606 174.600 0.041 0.000 0.971 347 S CA 0.499 58.728 58.200 0.049 0.000 1.152 347 S CB -1.391 61.824 63.200 0.026 0.000 0.877 347 S HN 0.666 nan 8.310 nan 0.000 0.491 348 A N 1.801 124.671 122.820 0.083 0.000 3.453 348 A HA 0.574 4.894 4.320 0.000 0.000 0.262 348 A C -2.315 175.416 177.584 0.246 0.000 1.026 348 A CA -0.777 51.346 52.037 0.144 0.000 0.938 348 A CB 0.935 20.063 19.000 0.213 0.000 1.246 348 A HN 0.423 nan 8.150 nan 0.000 0.546 349 P HA 0.299 nan 4.420 nan 0.000 0.272 349 P C -2.886 174.502 177.300 0.146 0.000 1.230 349 P CA -1.082 62.099 63.100 0.134 0.000 0.788 349 P CB 0.671 32.371 31.700 -0.001 0.000 0.949 350 P HA 0.112 nan 4.420 nan 0.000 0.279 350 P C 0.579 177.819 177.300 -0.100 0.000 1.252 350 P CA 0.040 63.041 63.100 -0.166 0.000 0.811 350 P CB 0.891 32.474 31.700 -0.196 0.000 1.035 351 G N 1.371 110.101 108.800 -0.117 0.000 2.632 351 G HA2 0.011 3.971 3.960 0.000 0.000 0.220 351 G HA3 0.011 3.971 3.960 0.000 0.000 0.220 351 G C -0.187 174.667 174.900 -0.076 0.000 1.439 351 G CA 0.043 45.102 45.100 -0.069 0.000 0.934 351 G HN 0.456 nan 8.290 nan 0.000 0.536 352 D N 2.821 123.174 120.400 -0.079 0.000 2.417 352 D HA 0.231 4.871 4.640 0.000 0.000 0.250 352 D C -1.977 174.263 176.300 -0.100 0.000 1.166 352 D CA -0.685 53.273 54.000 -0.069 0.000 0.881 352 D CB 1.208 41.977 40.800 -0.051 0.000 1.164 352 D HN 0.094 nan 8.370 nan 0.000 0.467 353 P HA 0.156 nan 4.420 nan 0.000 0.271 353 P C -2.506 174.781 177.300 -0.022 0.000 1.218 353 P CA -1.183 61.895 63.100 -0.038 0.000 0.780 353 P CB -0.019 31.676 31.700 -0.008 0.000 0.901 354 P HA 0.188 nan 4.420 nan 0.000 0.275 354 P C -0.611 176.682 177.300 -0.013 0.000 1.228 354 P CA 0.062 63.191 63.100 0.049 0.000 0.786 354 P CB 0.682 32.458 31.700 0.127 0.000 0.927 355 Q N 1.813 121.621 119.800 0.014 0.000 2.375 355 Q HA 0.433 4.773 4.340 0.000 0.000 0.271 355 Q C -2.426 173.572 176.000 -0.004 0.000 1.074 355 Q CA -2.180 53.619 55.803 -0.007 0.000 0.808 355 Q CB 1.943 30.689 28.738 0.013 0.000 1.327 355 Q HN 0.380 nan 8.270 nan 0.000 0.441 356 P HA 0.159 nan 4.420 nan 0.000 0.276 356 P C -0.516 176.619 177.300 -0.275 0.000 1.230 356 P CA -0.070 62.937 63.100 -0.154 0.000 0.776 356 P CB 1.183 32.789 31.700 -0.157 0.000 0.888 357 E N 2.159 122.150 120.200 -0.349 0.000 2.227 357 E HA 0.243 4.593 4.350 0.000 0.000 0.268 357 E C -0.552 175.833 176.600 -0.358 0.000 0.907 357 E CA -0.470 55.774 56.400 -0.260 0.000 0.786 357 E CB 1.478 31.141 29.700 -0.062 0.000 1.191 357 E HN 0.448 nan 8.360 nan 0.000 0.411 358 Y N -0.327 120.131 120.300 0.264 0.000 2.588 358 Y HA 0.184 4.734 4.550 -0.000 0.000 0.247 358 Y C 0.121 176.301 175.900 0.466 0.000 1.157 358 Y CA -0.399 57.920 58.100 0.366 0.000 1.215 358 Y CB 1.097 39.663 38.460 0.177 0.000 1.245 358 Y HN 0.247 nan 8.280 nan 0.000 0.534 359 D N 0.598 121.168 120.400 0.283 0.000 2.473 359 D HA 0.114 4.754 4.640 0.000 0.000 0.253 359 D C 0.792 176.811 176.300 -0.469 0.000 1.233 359 D CA -0.265 53.736 54.000 0.002 0.000 0.908 359 D CB 1.633 42.449 40.800 0.027 0.000 1.170 359 D HN 0.122 nan 8.370 nan 0.000 0.558 360 L N 4.371 124.909 121.223 -1.142 0.000 2.089 360 L HA -0.170 4.170 4.340 0.000 0.000 0.213 360 L C 1.577 178.073 176.870 -0.623 0.000 1.079 360 L CA 2.049 56.080 54.840 -1.349 0.000 0.758 360 L CB -0.269 40.836 42.059 -1.591 0.000 0.891 360 L HN 0.507 nan 8.230 nan 0.000 0.433 361 E N -1.008 118.949 120.200 -0.405 0.000 2.418 361 E HA -0.122 4.228 4.350 0.000 0.000 0.197 361 E C 1.964 178.462 176.600 -0.170 0.000 1.026 361 E CA 0.615 56.874 56.400 -0.236 0.000 0.862 361 E CB -0.095 29.523 29.700 -0.137 0.000 0.799 361 E HN 0.551 nan 8.360 nan 0.000 0.518 362 L N 0.706 121.824 121.223 -0.175 0.000 2.585 362 L HA 0.188 4.528 4.340 0.000 0.000 0.226 362 L C 0.739 177.543 176.870 -0.110 0.000 1.113 362 L CA -0.062 54.715 54.840 -0.105 0.000 0.876 362 L CB 0.214 42.238 42.059 -0.058 0.000 1.072 362 L HN 0.046 nan 8.230 nan 0.000 0.468 363 I N 0.653 121.120 120.570 -0.172 0.000 2.379 363 I HA 0.043 4.213 4.170 0.000 0.000 0.290 363 I C 0.121 176.176 176.117 -0.104 0.000 1.063 363 I CA 0.193 61.412 61.300 -0.136 0.000 1.351 363 I CB 0.942 38.833 38.000 -0.182 0.000 1.410 363 I HN -0.065 nan 8.210 nan 0.000 0.505 364 T N 5.464 119.983 114.554 -0.059 0.000 2.728 364 T HA 0.372 4.722 4.350 0.000 0.000 0.296 364 T C 0.003 174.689 174.700 -0.024 0.000 0.940 364 T CA -0.518 61.561 62.100 -0.034 0.000 1.013 364 T CB 0.609 69.467 68.868 -0.017 0.000 0.912 364 T HN 0.744 nan 8.240 nan 0.000 0.484 365 S N 1.052 116.741 115.700 -0.019 0.000 2.548 365 S HA 0.403 4.873 4.470 0.000 0.000 0.276 365 S C 0.133 174.739 174.600 0.010 0.000 1.129 365 S CA -0.854 57.337 58.200 -0.015 0.000 0.931 365 S CB 0.671 63.844 63.200 -0.044 0.000 1.068 365 S HN 0.854 nan 8.310 nan 0.000 0.480 366 C N 2.176 121.485 119.300 0.014 0.000 4.235 366 C HA -0.169 4.291 4.460 0.000 0.000 0.301 366 C C 1.406 176.461 174.990 0.109 0.000 1.409 366 C CA 0.792 59.844 59.018 0.056 0.000 2.024 366 C CB -3.255 24.515 27.740 0.051 0.000 1.286 366 C HN 1.631 nan 8.230 nan 0.000 0.746 367 S N -1.628 114.121 115.700 0.080 0.000 3.380 367 S HA -0.199 4.271 4.470 0.000 0.000 0.300 367 S C 0.314 174.967 174.600 0.088 0.000 1.255 367 S CA 1.323 59.571 58.200 0.079 0.000 0.963 367 S CB -0.818 62.442 63.200 0.101 0.000 1.106 367 S HN 1.053 nan 8.310 nan 0.000 0.629 368 S N 1.603 117.360 115.700 0.095 0.000 2.632 368 S HA 0.774 5.244 4.470 0.000 0.000 0.289 368 S C -0.474 174.148 174.600 0.037 0.000 1.115 368 S CA -0.965 57.307 58.200 0.120 0.000 0.889 368 S CB 1.854 65.192 63.200 0.229 0.000 1.116 368 S HN 0.574 nan 8.310 nan 0.000 0.486 369 N N -0.800 117.911 118.700 0.019 0.000 2.329 369 N HA 0.419 5.159 4.740 0.000 0.000 0.282 369 N C -1.383 174.063 175.510 -0.107 0.000 1.198 369 N CA -0.626 52.386 53.050 -0.064 0.000 0.790 369 N CB 1.116 39.556 38.487 -0.078 0.000 1.579 369 N HN 0.335 nan 8.380 nan 0.000 0.475 370 V N 0.602 120.408 119.914 -0.179 0.000 2.740 370 V HA 0.282 4.402 4.120 0.000 0.000 0.303 370 V C 0.624 176.573 176.094 -0.242 0.000 1.054 370 V CA 0.226 62.389 62.300 -0.228 0.000 1.106 370 V CB 0.840 32.482 31.823 -0.301 0.000 0.957 370 V HN 0.828 nan 8.190 nan 0.000 0.486 371 S N 2.433 117.899 115.700 -0.391 0.000 2.732 371 S HA 0.768 5.238 4.470 0.000 0.000 0.293 371 S C -1.229 173.226 174.600 -0.243 0.000 1.159 371 S CA -0.470 57.521 58.200 -0.348 0.000 0.847 371 S CB 2.081 65.035 63.200 -0.410 0.000 1.169 371 S HN 0.633 nan 8.310 nan 0.000 0.501 372 V N 1.323 121.197 119.914 -0.067 0.000 2.656 372 V HA 0.950 5.070 4.120 0.000 0.000 0.307 372 V C -0.216 175.879 176.094 0.000 0.000 1.051 372 V CA 0.191 62.426 62.300 -0.108 0.000 0.893 372 V CB 0.999 32.643 31.823 -0.298 0.000 0.999 372 V HN 1.166 nan 8.190 nan 0.000 0.426 373 A N 4.639 127.365 122.820 -0.156 0.000 2.507 373 A HA 0.949 5.269 4.320 0.000 0.000 0.284 373 A C -1.544 175.672 177.584 -0.612 0.000 1.281 373 A CA -0.548 51.248 52.037 -0.400 0.000 0.744 373 A CB 1.584 20.080 19.000 -0.840 0.000 1.332 373 A HN 0.983 nan 8.150 nan 0.000 0.454 374 H N 0.210 118.924 119.070 -0.593 0.000 2.600 374 H HA 0.480 5.036 4.556 0.000 0.000 0.357 374 H C -0.797 174.162 175.328 -0.615 0.000 1.106 374 H CA -0.407 55.303 56.048 -0.563 0.000 1.193 374 H CB 1.353 30.753 29.762 -0.603 0.000 1.594 374 H HN 0.781 nan 8.280 nan 0.000 0.526 375 D N 1.128 121.413 120.400 -0.191 0.000 2.478 375 D HA 0.210 4.850 4.640 0.000 0.000 0.274 375 D C 1.311 177.698 176.300 0.145 0.000 1.234 375 D CA -0.317 53.650 54.000 -0.055 0.000 1.069 375 D CB 0.262 41.039 40.800 -0.039 0.000 1.113 375 D HN 0.496 nan 8.370 nan 0.000 0.571 376 A N -0.190 122.724 122.820 0.156 0.000 1.940 376 A HA -0.154 4.166 4.320 0.000 0.000 0.219 376 A C 1.996 179.668 177.584 0.147 0.000 1.176 376 A CA 2.423 54.563 52.037 0.173 0.000 0.631 376 A CB -1.166 17.894 19.000 0.101 0.000 0.814 376 A HN 0.642 nan 8.150 nan 0.000 0.446 377 S N -1.805 113.958 115.700 0.105 0.000 2.660 377 S HA 0.359 4.829 4.470 0.000 0.000 0.223 377 S C 1.409 176.063 174.600 0.090 0.000 0.963 377 S CA 1.048 59.293 58.200 0.075 0.000 0.932 377 S CB -0.454 62.775 63.200 0.048 0.000 0.775 377 S HN 1.943 nan 8.310 nan 0.000 0.531 378 G N 1.254 110.145 108.800 0.151 0.000 2.199 378 G HA2 -0.316 3.644 3.960 0.000 0.000 0.254 378 G HA3 -0.316 3.644 3.960 0.000 0.000 0.254 378 G C -0.029 174.972 174.900 0.168 0.000 0.982 378 G CA 0.304 45.501 45.100 0.163 0.000 0.632 378 G HN 0.821 nan 8.290 nan 0.000 0.529 379 K N 1.117 121.569 120.400 0.086 0.000 2.249 379 K HA 0.485 4.805 4.320 0.000 0.000 0.280 379 K C 0.631 177.155 176.600 -0.127 0.000 1.033 379 K CA -0.797 55.497 56.287 0.012 0.000 0.946 379 K CB 0.374 32.865 32.500 -0.015 0.000 1.005 379 K HN 0.292 nan 8.250 nan 0.000 0.469 380 R N 2.164 122.509 120.500 -0.259 0.000 2.449 380 R HA 0.122 4.462 4.340 0.000 0.000 0.296 380 R C -0.592 175.431 176.300 -0.462 0.000 1.047 380 R CA -0.346 55.397 56.100 -0.595 0.000 1.018 380 R CB 0.742 30.717 30.300 -0.542 0.000 0.962 380 R HN 0.295 nan 8.270 nan 0.000 0.428 381 V N 4.478 124.105 119.914 -0.479 0.000 2.555 381 V HA 0.258 4.378 4.120 0.000 0.000 0.302 381 V C -0.771 175.145 176.094 -0.295 0.000 1.038 381 V CA -0.876 61.241 62.300 -0.304 0.000 0.887 381 V CB 1.466 33.179 31.823 -0.183 0.000 0.991 381 V HN 0.534 nan 8.190 nan 0.000 0.434 382 Y N 4.884 125.157 120.300 -0.044 0.000 2.310 382 Y HA 0.627 5.177 4.550 0.000 0.000 0.326 382 Y C 0.006 175.937 175.900 0.051 0.000 1.151 382 Y CA -0.397 57.675 58.100 -0.047 0.000 1.195 382 Y CB 1.147 39.552 38.460 -0.093 0.000 1.210 382 Y HN 0.698 nan 8.280 nan 0.000 0.483 383 Y N 0.671 121.034 120.300 0.106 0.000 2.670 383 Y HA 0.695 5.245 4.550 0.000 0.000 0.334 383 Y C -2.365 173.581 175.900 0.078 0.000 1.185 383 Y CA -1.865 56.265 58.100 0.050 0.000 1.053 383 Y CB 0.804 39.259 38.460 -0.008 0.000 1.298 383 Y HN 0.430 nan 8.280 nan 0.000 0.459 384 L N 1.974 123.266 121.223 0.115 0.000 2.309 384 L HA 0.789 5.129 4.340 0.000 0.000 0.282 384 L C -0.065 177.008 176.870 0.337 0.000 1.036 384 L CA 0.221 55.110 54.840 0.082 0.000 0.806 384 L CB 1.699 43.819 42.059 0.103 0.000 1.220 384 L HN 1.042 nan 8.230 nan 0.000 0.429 385 T N 3.984 118.706 114.554 0.279 0.000 2.669 385 T HA 0.861 5.211 4.350 0.000 0.000 0.283 385 T C -1.152 173.742 174.700 0.324 0.000 1.019 385 T CA -0.572 61.814 62.100 0.476 0.000 1.039 385 T CB 1.160 70.289 68.868 0.434 0.000 1.374 385 T HN 0.832 nan 8.240 nan 0.000 0.523 386 R N 0.262 120.867 120.500 0.175 0.000 2.747 386 R HA 0.465 4.805 4.340 0.000 0.000 0.272 386 R C -1.448 174.705 176.300 -0.245 0.000 1.032 386 R CA -1.017 55.050 56.100 -0.054 0.000 0.896 386 R CB 0.303 30.507 30.300 -0.161 0.000 1.253 386 R HN 0.524 nan 8.270 nan 0.000 0.461 387 D N 1.631 121.879 120.400 -0.253 0.000 2.450 387 D HA 0.045 4.685 4.640 0.000 0.000 0.247 387 D C -1.439 174.488 176.300 -0.623 0.000 1.162 387 D CA -1.117 52.678 54.000 -0.342 0.000 0.879 387 D CB 1.233 41.915 40.800 -0.196 0.000 1.163 387 D HN 0.317 nan 8.370 nan 0.000 0.472 388 P HA 0.051 nan 4.420 nan 0.000 0.257 388 P C 1.108 178.054 177.300 -0.590 0.000 1.281 388 P CA 0.006 62.360 63.100 -1.244 0.000 0.826 388 P CB 0.419 31.234 31.700 -1.475 0.000 1.237 389 T N -0.156 114.184 114.554 -0.356 0.000 2.643 389 T HA -0.116 4.235 4.350 0.000 0.000 0.264 389 T C 1.712 176.345 174.700 -0.111 0.000 1.045 389 T CA 2.354 64.353 62.100 -0.170 0.000 1.155 389 T CB -0.984 67.830 68.868 -0.091 0.000 0.863 389 T HN 0.184 nan 8.240 nan 0.000 0.420 390 T N 2.181 116.673 114.554 -0.103 0.000 2.708 390 T HA -0.052 4.298 4.350 0.000 0.000 0.266 390 T C -0.596 174.059 174.700 -0.074 0.000 1.037 390 T CA 1.155 63.223 62.100 -0.052 0.000 1.146 390 T CB -1.245 67.627 68.868 0.006 0.000 0.865 390 T HN 0.333 nan 8.240 nan 0.000 0.435 391 P HA -0.046 nan 4.420 nan 0.000 0.216 391 P C 1.482 178.808 177.300 0.044 0.000 1.153 391 P CA 1.033 64.114 63.100 -0.032 0.000 0.858 391 P CB -0.199 31.420 31.700 -0.135 0.000 0.789 392 L N -1.565 119.642 121.223 -0.026 0.000 2.109 392 L HA -0.070 4.270 4.340 0.000 0.000 0.207 392 L C 2.510 179.422 176.870 0.070 0.000 1.086 392 L CA 1.266 56.125 54.840 0.030 0.000 0.760 392 L CB -1.212 40.828 42.059 -0.032 0.000 0.910 392 L HN -0.067 nan 8.230 nan 0.000 0.437 393 A N 0.485 123.334 122.820 0.049 0.000 1.908 393 A HA -0.232 4.088 4.320 0.000 0.000 0.218 393 A C 2.406 180.066 177.584 0.127 0.000 1.181 393 A CA 1.695 53.783 52.037 0.086 0.000 0.627 393 A CB -0.473 18.554 19.000 0.045 0.000 0.818 393 A HN 0.331 nan 8.150 nan 0.000 0.445 394 R N -0.799 119.750 120.500 0.081 0.000 2.073 394 R HA 0.004 4.344 4.340 0.000 0.000 0.229 394 R C 2.513 178.971 176.300 0.263 0.000 1.120 394 R CA 1.065 57.230 56.100 0.109 0.000 0.967 394 R CB -0.464 29.843 30.300 0.012 0.000 0.862 394 R HN 0.502 nan 8.270 nan 0.000 0.436 395 A N 1.382 124.383 122.820 0.302 0.000 1.940 395 A HA -0.157 4.163 4.320 0.000 0.000 0.219 395 A C 2.351 180.180 177.584 0.408 0.000 1.176 395 A CA 1.777 54.118 52.037 0.507 0.000 0.631 395 A CB -0.586 18.744 19.000 0.550 0.000 0.814 395 A HN 0.409 nan 8.150 nan 0.000 0.446 396 A N -1.421 121.547 122.820 0.247 0.000 1.902 396 A HA -0.168 4.152 4.320 0.000 0.000 0.217 396 A C 2.099 179.804 177.584 0.202 0.000 1.181 396 A CA 1.335 53.476 52.037 0.173 0.000 0.623 396 A CB -0.808 18.282 19.000 0.151 0.000 0.818 396 A HN 0.823 nan 8.150 nan 0.000 0.443 397 W N 1.006 122.358 121.300 0.087 0.000 2.355 397 W HA -0.138 4.522 4.660 0.000 0.000 0.309 397 W C 1.732 178.308 176.519 0.096 0.000 1.206 397 W CA 1.902 59.284 57.345 0.063 0.000 1.284 397 W CB -0.367 29.110 29.460 0.030 0.000 1.145 397 W HN 0.551 nan 8.180 nan 0.000 0.502 398 E N -0.776 119.695 120.200 0.452 0.000 2.333 398 E HA -0.154 4.196 4.350 0.000 0.000 0.198 398 E C 1.917 178.719 176.600 0.337 0.000 1.007 398 E CA 1.523 58.166 56.400 0.406 0.000 0.845 398 E CB -0.171 29.814 29.700 0.476 0.000 0.766 398 E HN 0.097 nan 8.360 nan 0.000 0.507 399 T N 0.094 114.815 114.554 0.279 0.000 2.904 399 T HA -0.057 4.293 4.350 0.000 0.000 0.267 399 T C 1.723 176.411 174.700 -0.020 0.000 1.059 399 T CA 1.211 63.383 62.100 0.120 0.000 1.137 399 T CB 0.084 69.026 68.868 0.122 0.000 0.879 399 T HN 0.237 nan 8.240 nan 0.000 0.467 400 A N 0.147 122.921 122.820 -0.076 0.000 2.229 400 A HA 0.338 4.658 4.320 0.000 0.000 0.211 400 A C 0.947 178.415 177.584 -0.194 0.000 1.193 400 A CA -0.069 51.866 52.037 -0.170 0.000 0.879 400 A CB 0.515 19.367 19.000 -0.248 0.000 0.911 400 A HN 0.119 nan 8.150 nan 0.000 0.492 401 R N 0.311 120.725 120.500 -0.142 0.000 2.628 401 R HA 0.363 4.703 4.340 0.000 0.000 0.288 401 R C -1.545 174.752 176.300 -0.006 0.000 0.980 401 R CA -0.569 55.492 56.100 -0.066 0.000 0.891 401 R CB 0.955 31.280 30.300 0.041 0.000 1.188 401 R HN 0.488 nan 8.270 nan 0.000 0.450 402 H N 0.848 119.998 119.070 0.134 0.000 2.886 402 H HA 0.115 4.671 4.556 0.000 0.000 0.329 402 H C 0.495 175.915 175.328 0.153 0.000 1.044 402 H CA 0.942 57.076 56.048 0.143 0.000 1.456 402 H CB 0.728 30.548 29.762 0.097 0.000 1.464 402 H HN 0.531 nan 8.280 nan 0.000 0.573 403 T N 0.265 114.980 114.554 0.269 0.000 2.906 403 T HA 0.233 4.583 4.350 0.000 0.000 0.295 403 T C -1.796 172.982 174.700 0.130 0.000 1.075 403 T CA -2.105 60.105 62.100 0.183 0.000 1.005 403 T CB 1.685 70.656 68.868 0.171 0.000 1.136 403 T HN 0.236 nan 8.240 nan 0.000 0.498 404 P HA 0.040 nan 4.420 nan 0.000 0.216 404 P C -0.053 177.288 177.300 0.068 0.000 1.150 404 P CA 0.573 63.719 63.100 0.077 0.000 0.843 404 P CB 0.108 31.832 31.700 0.039 0.000 0.787 405 V N 0.719 120.651 119.914 0.030 0.000 2.531 405 V HA 0.228 4.348 4.120 0.000 0.000 0.301 405 V C -0.312 175.762 176.094 -0.034 0.000 1.034 405 V CA -0.812 61.479 62.300 -0.016 0.000 0.865 405 V CB 1.842 33.641 31.823 -0.040 0.000 0.995 405 V HN -0.038 nan 8.190 nan 0.000 0.424 406 N N 3.041 121.671 118.700 -0.117 0.000 2.645 406 N HA 0.074 4.814 4.740 0.000 0.000 0.233 406 N C 1.369 176.663 175.510 -0.361 0.000 1.058 406 N CA 0.224 53.131 53.050 -0.238 0.000 0.942 406 N CB 1.636 39.869 38.487 -0.423 0.000 1.210 406 N HN 0.828 nan 8.380 nan 0.000 0.512 407 S N 2.206 117.819 115.700 -0.144 0.000 2.383 407 S HA -0.139 4.331 4.470 0.000 0.000 0.229 407 S C 1.909 176.460 174.600 -0.081 0.000 1.030 407 S CA 0.435 58.585 58.200 -0.083 0.000 1.002 407 S CB -0.458 62.742 63.200 0.000 0.000 0.829 407 S HN 0.767 nan 8.310 nan 0.000 0.467 408 W N 1.386 122.594 121.300 -0.154 0.000 2.321 408 W HA -0.118 4.542 4.660 0.000 0.000 0.306 408 W C 1.794 178.233 176.519 -0.133 0.000 1.217 408 W CA 0.768 57.980 57.345 -0.222 0.000 1.257 408 W CB -1.294 27.632 29.460 -0.889 0.000 1.145 408 W HN 0.382 nan 8.180 nan 0.000 0.509 409 L N 2.673 123.237 121.223 -1.099 0.000 2.044 409 L HA 0.163 4.503 4.340 0.000 0.000 0.205 409 L C 2.801 179.444 176.870 -0.378 0.000 1.075 409 L CA 2.795 57.059 54.840 -0.960 0.000 0.747 409 L CB -1.442 39.778 42.059 -1.398 0.000 0.903 409 L HN 0.076 nan 8.230 nan 0.000 0.435 410 G N -0.363 108.245 108.800 -0.319 0.000 2.476 410 G HA2 -0.354 3.606 3.960 0.000 0.000 0.218 410 G HA3 -0.354 3.606 3.960 0.000 0.000 0.218 410 G C 1.474 176.369 174.900 -0.008 0.000 1.164 410 G CA 1.020 46.023 45.100 -0.161 0.000 0.768 410 G HN 0.467 nan 8.290 nan 0.000 0.560 411 N N 0.539 119.294 118.700 0.092 0.000 2.188 411 N HA -0.023 4.717 4.740 0.000 0.000 0.184 411 N C 2.261 177.902 175.510 0.219 0.000 1.018 411 N CA 0.739 53.971 53.050 0.302 0.000 0.858 411 N CB -0.202 38.534 38.487 0.415 0.000 0.989 411 N HN 0.353 nan 8.380 nan 0.000 0.426 412 I N 0.882 121.536 120.570 0.139 0.000 2.286 412 I HA -0.216 3.954 4.170 0.000 0.000 0.248 412 I C 1.969 178.133 176.117 0.077 0.000 1.115 412 I CA 0.812 62.181 61.300 0.114 0.000 1.392 412 I CB -0.094 38.036 38.000 0.216 0.000 1.065 412 I HN 0.041 nan 8.210 nan 0.000 0.418 413 I N -0.145 120.470 120.570 0.074 0.000 2.163 413 I HA -0.285 3.885 4.170 0.000 0.000 0.240 413 I C 2.436 178.649 176.117 0.160 0.000 1.081 413 I CA 1.241 62.616 61.300 0.125 0.000 1.353 413 I CB -0.220 37.838 38.000 0.098 0.000 1.054 413 I HN 0.164 nan 8.210 nan 0.000 0.407 414 M N -0.788 118.831 119.600 0.032 0.000 2.319 414 M HA -0.105 4.375 4.480 0.000 0.000 0.265 414 M C 0.762 176.856 176.300 -0.343 0.000 1.068 414 M CA 1.628 56.833 55.300 -0.157 0.000 1.118 414 M CB -0.615 31.783 32.600 -0.337 0.000 1.395 414 M HN 0.218 nan 8.290 nan 0.000 0.435 415 Y N -0.859 119.425 120.300 -0.026 0.000 2.713 415 Y HA 0.471 5.021 4.550 0.000 0.000 0.269 415 Y C 1.659 177.297 175.900 -0.438 0.000 1.106 415 Y CA -0.386 57.591 58.100 -0.206 0.000 1.174 415 Y CB -0.653 37.637 38.460 -0.283 0.000 1.186 415 Y HN 0.125 nan 8.280 nan 0.000 0.555 416 A N 1.290 123.886 122.820 -0.375 0.000 1.940 416 A HA -0.122 4.198 4.320 0.000 0.000 0.219 416 A C -0.358 176.931 177.584 -0.490 0.000 1.176 416 A CA 1.518 53.303 52.037 -0.421 0.000 0.631 416 A CB -1.339 17.394 19.000 -0.445 0.000 0.814 416 A HN 0.246 nan 8.150 nan 0.000 0.446 417 P HA 0.024 nan 4.420 nan 0.000 0.245 417 P C 0.541 177.565 177.300 -0.461 0.000 1.212 417 P CA 1.129 63.936 63.100 -0.489 0.000 0.774 417 P CB -0.720 30.698 31.700 -0.471 0.000 0.999 418 T N -2.574 111.716 114.554 -0.442 0.000 2.882 418 T HA 0.189 4.539 4.350 0.000 0.000 0.287 418 T C 1.133 175.429 174.700 -0.673 0.000 1.014 418 T CA -0.726 61.094 62.100 -0.468 0.000 1.049 418 T CB 0.889 69.356 68.868 -0.670 0.000 1.001 418 T HN -0.186 nan 8.240 nan 0.000 0.525 419 L N 1.731 122.487 121.223 -0.779 0.000 2.046 419 L HA 0.052 4.392 4.340 0.000 0.000 0.208 419 L C 2.353 178.897 176.870 -0.543 0.000 1.077 419 L CA 1.600 55.893 54.840 -0.912 0.000 0.747 419 L CB -0.912 40.559 42.059 -0.981 0.000 0.896 419 L HN 0.914 nan 8.230 nan 0.000 0.432 420 W N -1.005 120.093 121.300 -0.336 0.000 2.453 420 W HA 0.150 4.810 4.660 -0.000 0.000 0.289 420 W C 2.021 178.404 176.519 -0.226 0.000 1.215 420 W CA 0.675 57.857 57.345 -0.273 0.000 1.297 420 W CB -1.362 27.976 29.460 -0.203 0.000 1.113 420 W HN 0.292 nan 8.180 nan 0.000 0.551 421 A N 2.065 124.456 122.820 -0.715 0.000 1.902 421 A HA -0.155 4.165 4.320 0.000 0.000 0.217 421 A C 2.255 179.687 177.584 -0.252 0.000 1.181 421 A CA 1.957 53.710 52.037 -0.473 0.000 0.623 421 A CB -0.800 17.774 19.000 -0.711 0.000 0.818 421 A HN 0.298 nan 8.150 nan 0.000 0.443 422 R N -1.057 119.206 120.500 -0.395 0.000 2.062 422 R HA 0.055 4.395 4.340 0.000 0.000 0.229 422 R C 2.292 178.402 176.300 -0.316 0.000 1.128 422 R CA 1.662 57.545 56.100 -0.362 0.000 0.960 422 R CB -0.347 29.585 30.300 -0.612 0.000 0.855 422 R HN 0.506 nan 8.270 nan 0.000 0.432 423 M N -0.333 118.945 119.600 -0.535 0.000 2.288 423 M HA -0.035 4.445 4.480 0.000 0.000 0.266 423 M C 1.781 177.998 176.300 -0.138 0.000 1.072 423 M CA 1.556 56.623 55.300 -0.389 0.000 1.132 423 M CB 0.104 32.428 32.600 -0.459 0.000 1.386 423 M HN 0.127 nan 8.290 nan 0.000 0.432 424 I N -1.059 119.292 120.570 -0.364 0.000 3.136 424 I HA -0.071 4.099 4.170 0.000 0.000 0.262 424 I C 2.031 177.969 176.117 -0.299 0.000 1.132 424 I CA 0.198 61.011 61.300 -0.812 0.000 1.450 424 I CB -0.088 37.369 38.000 -0.906 0.000 1.315 424 I HN 0.097 nan 8.210 nan 0.000 0.460 425 L N 0.271 121.512 121.223 0.030 0.000 1.976 425 L HA -0.200 4.141 4.340 0.000 0.000 0.209 425 L C 2.679 179.846 176.870 0.494 0.000 1.071 425 L CA 1.728 56.778 54.840 0.351 0.000 0.746 425 L CB -0.484 41.815 42.059 0.400 0.000 0.890 425 L HN 0.261 nan 8.230 nan 0.000 0.432 426 M N -0.854 119.017 119.600 0.451 0.000 2.080 426 M HA -0.206 4.274 4.480 0.000 0.000 0.260 426 M C 2.294 179.136 176.300 0.903 0.000 1.068 426 M CA 2.178 57.888 55.300 0.684 0.000 1.109 426 M CB -0.831 31.988 32.600 0.365 0.000 1.342 426 M HN 0.280 nan 8.290 nan 0.000 0.405 427 T N -1.342 113.686 114.554 0.790 0.000 2.674 427 T HA -0.221 4.129 4.350 0.000 0.000 0.265 427 T C 1.689 176.695 174.700 0.510 0.000 1.039 427 T CA 1.955 64.488 62.100 0.722 0.000 1.150 427 T CB -0.538 68.799 68.868 0.782 0.000 0.864 427 T HN 0.476 nan 8.240 nan 0.000 0.427 428 H N 0.180 119.427 119.070 0.295 0.000 2.326 428 H HA 0.040 4.596 4.556 0.000 0.000 0.301 428 H C 1.775 176.993 175.328 -0.183 0.000 1.081 428 H CA 1.495 57.595 56.048 0.087 0.000 1.334 428 H CB -0.404 29.267 29.762 -0.152 0.000 1.385 428 H HN 0.324 nan 8.280 nan 0.000 0.504 429 F N -1.117 118.800 119.950 -0.054 0.000 2.293 429 F HA 0.002 4.529 4.527 0.000 0.000 0.297 429 F C 1.899 177.488 175.800 -0.353 0.000 1.089 429 F CA 0.536 58.230 58.000 -0.510 0.000 1.377 429 F CB -0.473 37.786 39.000 -1.234 0.000 1.051 429 F HN 0.146 nan 8.300 nan 0.000 0.511 430 F N -0.454 119.585 119.950 0.149 0.000 2.234 430 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 430 F C 2.757 178.576 175.800 0.032 0.000 1.087 430 F CA 1.524 59.625 58.000 0.169 0.000 1.340 430 F CB -0.927 38.277 39.000 0.339 0.000 1.031 430 F HN -0.088 nan 8.300 nan 0.000 0.500 431 S N 0.441 116.220 115.700 0.132 0.000 2.359 431 S HA -0.202 4.268 4.470 0.000 0.000 0.224 431 S C 2.142 176.698 174.600 -0.074 0.000 1.035 431 S CA 1.606 59.805 58.200 -0.001 0.000 1.018 431 S CB -0.499 62.674 63.200 -0.045 0.000 0.876 431 S HN 0.326 nan 8.310 nan 0.000 0.448 432 I N 1.261 121.718 120.570 -0.187 0.000 2.226 432 I HA -0.169 4.001 4.170 0.000 0.000 0.245 432 I C 2.192 178.263 176.117 -0.077 0.000 1.100 432 I CA 1.105 62.291 61.300 -0.191 0.000 1.374 432 I CB -0.309 37.498 38.000 -0.322 0.000 1.057 432 I HN 0.318 nan 8.210 nan 0.000 0.413 433 L N -0.154 121.037 121.223 -0.054 0.000 2.093 433 L HA -0.206 4.134 4.340 0.000 0.000 0.208 433 L C 2.509 179.412 176.870 0.056 0.000 1.085 433 L CA 1.104 55.951 54.840 0.011 0.000 0.755 433 L CB -0.614 41.437 42.059 -0.015 0.000 0.904 433 L HN 0.251 nan 8.230 nan 0.000 0.435 434 L N 0.124 121.393 121.223 0.077 0.000 1.971 434 L HA -0.260 4.080 4.340 0.000 0.000 0.215 434 L C 2.926 179.813 176.870 0.028 0.000 1.072 434 L CA 1.599 56.479 54.840 0.067 0.000 0.758 434 L CB -0.747 41.345 42.059 0.054 0.000 0.889 434 L HN 0.256 nan 8.230 nan 0.000 0.433 435 A N -1.168 121.652 122.820 0.001 0.000 1.940 435 A HA -0.206 4.114 4.320 0.000 0.000 0.219 435 A C 2.051 179.637 177.584 0.004 0.000 1.176 435 A CA 1.448 53.479 52.037 -0.010 0.000 0.631 435 A CB -0.303 18.676 19.000 -0.035 0.000 0.814 435 A HN 0.469 nan 8.150 nan 0.000 0.446 436 Q N -0.878 118.931 119.800 0.014 0.000 2.320 436 Q HA 0.093 4.433 4.340 0.000 0.000 0.201 436 Q C -0.205 175.820 176.000 0.042 0.000 0.910 436 Q CA 0.301 56.122 55.803 0.030 0.000 0.946 436 Q CB 0.030 28.796 28.738 0.045 0.000 1.062 436 Q HN 0.770 nan 8.270 nan 0.000 0.503 437 E N 0.302 120.527 120.200 0.042 0.000 2.551 437 E HA -0.282 4.068 4.350 0.000 0.000 0.251 437 E C 0.084 176.722 176.600 0.064 0.000 1.210 437 E CA 0.420 56.852 56.400 0.052 0.000 0.725 437 E CB -0.686 29.039 29.700 0.041 0.000 1.290 437 E HN 0.400 nan 8.360 nan 0.000 0.413 438 Q N -0.442 119.400 119.800 0.071 0.000 2.217 438 Q HA 0.154 4.494 4.340 0.000 0.000 0.226 438 Q C 1.542 177.600 176.000 0.097 0.000 0.875 438 Q CA -0.267 55.586 55.803 0.083 0.000 0.974 438 Q CB 0.298 29.093 28.738 0.095 0.000 1.079 438 Q HN 0.394 nan 8.270 nan 0.000 0.463 439 L N -0.227 121.060 121.223 0.106 0.000 2.131 439 L HA -0.173 4.167 4.340 0.000 0.000 0.210 439 L C 1.666 178.614 176.870 0.130 0.000 1.092 439 L CA 1.233 56.153 54.840 0.134 0.000 0.759 439 L CB -0.151 42.021 42.059 0.189 0.000 0.903 439 L HN 0.284 nan 8.230 nan 0.000 0.435 440 E N 0.197 120.462 120.200 0.108 0.000 2.481 440 E HA -0.077 4.273 4.350 0.000 0.000 0.195 440 E C 0.684 177.335 176.600 0.086 0.000 1.047 440 E CA 0.043 56.500 56.400 0.095 0.000 0.867 440 E CB 0.137 29.883 29.700 0.077 0.000 0.858 440 E HN 0.285 nan 8.360 nan 0.000 0.513 441 K N 1.910 122.364 120.400 0.090 0.000 2.316 441 K HA 0.274 4.594 4.320 0.000 0.000 0.289 441 K C -0.450 176.204 176.600 0.089 0.000 1.070 441 K CA -0.314 56.023 56.287 0.084 0.000 0.928 441 K CB 0.716 33.268 32.500 0.087 0.000 1.039 441 K HN -0.118 nan 8.250 nan 0.000 0.480 442 A N 5.123 127.989 122.820 0.075 0.000 2.531 442 A HA 0.237 4.557 4.320 0.000 0.000 0.236 442 A C -0.458 177.165 177.584 0.065 0.000 1.062 442 A CA 0.063 52.140 52.037 0.067 0.000 0.760 442 A CB 0.095 19.135 19.000 0.067 0.000 0.995 442 A HN 0.788 nan 8.150 nan 0.000 0.501 443 L N 1.863 123.108 121.223 0.037 0.000 2.370 443 L HA 0.368 4.708 4.340 0.000 0.000 0.266 443 L C -0.918 175.942 176.870 -0.017 0.000 1.002 443 L CA -1.067 53.785 54.840 0.020 0.000 0.818 443 L CB 2.156 44.207 42.059 -0.015 0.000 1.325 443 L HN 0.604 nan 8.230 nan 0.000 0.418 444 D N 1.414 121.820 120.400 0.010 0.000 2.304 444 D HA 0.440 5.080 4.640 0.000 0.000 0.250 444 D C -0.365 175.884 176.300 -0.085 0.000 1.107 444 D CA 0.001 53.998 54.000 -0.004 0.000 0.885 444 D CB 1.474 42.313 40.800 0.065 0.000 1.192 444 D HN 0.589 nan 8.370 nan 0.000 0.436 445 C N 0.311 119.539 119.300 -0.119 0.000 3.236 445 C HA 0.663 5.123 4.460 0.000 0.000 0.312 445 C C -0.859 174.058 174.990 -0.122 0.000 1.374 445 C CA -0.889 58.033 59.018 -0.160 0.000 1.455 445 C CB 1.294 28.877 27.740 -0.262 0.000 1.834 445 C HN 0.510 nan 8.230 nan 0.000 0.460 446 Q N 0.483 120.214 119.800 -0.115 0.000 2.309 446 Q HA 0.775 5.115 4.340 0.000 0.000 0.264 446 Q C -1.212 174.724 176.000 -0.107 0.000 1.008 446 Q CA -0.376 55.381 55.803 -0.077 0.000 0.853 446 Q CB 2.227 30.934 28.738 -0.051 0.000 1.314 446 Q HN 0.712 nan 8.270 nan 0.000 0.448 447 I N 2.501 123.020 120.570 -0.085 0.000 2.478 447 I HA 0.174 4.344 4.170 0.000 0.000 0.287 447 I C -1.052 175.068 176.117 0.004 0.000 1.042 447 I CA -0.889 60.283 61.300 -0.213 0.000 1.067 447 I CB 1.301 38.889 38.000 -0.685 0.000 1.233 447 I HN 0.672 nan 8.210 nan 0.000 0.431 448 Y N 5.188 125.515 120.300 0.044 0.000 3.225 448 Y HA -0.255 4.295 4.550 0.000 0.000 0.211 448 Y C 1.471 177.302 175.900 -0.115 0.000 1.223 448 Y CA 1.147 59.239 58.100 -0.014 0.000 1.284 448 Y CB -1.927 36.525 38.460 -0.013 0.000 1.367 448 Y HN 0.992 nan 8.280 nan 0.000 0.566 449 G N -2.252 106.607 108.800 0.099 0.000 2.205 449 G HA2 -0.001 3.959 3.960 0.000 0.000 0.261 449 G HA3 -0.001 3.959 3.960 0.000 0.000 0.261 449 G C 0.379 175.281 174.900 0.004 0.000 0.980 449 G CA 0.163 45.283 45.100 0.033 0.000 0.632 449 G HN 1.547 nan 8.290 nan 0.000 0.533 450 A N -0.907 121.909 122.820 -0.008 0.000 2.306 450 A HA 0.706 5.026 4.320 0.000 0.000 0.330 450 A C 0.407 177.773 177.584 -0.364 0.000 1.146 450 A CA 0.264 52.145 52.037 -0.260 0.000 0.827 450 A CB 1.410 20.151 19.000 -0.431 0.000 1.178 450 A HN 1.364 nan 8.150 nan 0.000 0.490 451 C N 1.780 120.747 119.300 -0.554 0.000 2.330 451 C HA 0.755 5.215 4.460 0.000 0.000 0.344 451 C C -1.003 173.432 174.990 -0.926 0.000 1.273 451 C CA -0.342 58.393 59.018 -0.472 0.000 1.879 451 C CB -1.284 26.337 27.740 -0.199 0.000 2.376 451 C HN 0.651 nan 8.230 nan 0.000 0.534 452 Y N 2.519 122.516 120.300 -0.504 0.000 2.499 452 Y HA 0.443 4.993 4.550 -0.000 0.000 0.347 452 Y C 0.422 176.113 175.900 -0.347 0.000 0.987 452 Y CA -0.417 57.372 58.100 -0.518 0.000 1.044 452 Y CB 1.771 39.931 38.460 -0.501 0.000 1.245 452 Y HN 0.541 nan 8.280 nan 0.000 0.461 453 S N 3.250 118.885 115.700 -0.109 0.000 2.438 453 S HA 0.680 5.150 4.470 0.000 0.000 0.293 453 S C -0.883 173.756 174.600 0.064 0.000 1.141 453 S CA -0.343 57.869 58.200 0.021 0.000 1.080 453 S CB -0.293 62.963 63.200 0.093 0.000 0.978 453 S HN 0.495 nan 8.310 nan 0.000 0.479 454 I N 3.845 124.438 120.570 0.038 0.000 2.533 454 I HA 0.323 4.493 4.170 0.000 0.000 0.290 454 I C -0.403 175.737 176.117 0.039 0.000 1.056 454 I CA -0.577 60.756 61.300 0.055 0.000 1.057 454 I CB 2.266 40.281 38.000 0.024 0.000 1.240 454 I HN 0.525 nan 8.210 nan 0.000 0.423 455 E N 7.223 127.465 120.200 0.070 0.000 2.130 455 E HA 0.191 4.541 4.350 0.000 0.000 0.284 455 E C -1.807 174.855 176.600 0.103 0.000 1.018 455 E CA -1.566 54.882 56.400 0.081 0.000 0.817 455 E CB 1.228 30.980 29.700 0.086 0.000 1.078 455 E HN 0.313 nan 8.360 nan 0.000 0.396 456 P HA -0.245 nan 4.420 nan 0.000 0.218 456 P C 1.087 178.574 177.300 0.312 0.000 1.154 456 P CA 1.242 64.438 63.100 0.160 0.000 0.872 456 P CB 0.204 31.952 31.700 0.080 0.000 0.790 457 L N -0.908 120.475 121.223 0.267 0.000 2.189 457 L HA -0.205 4.135 4.340 0.000 0.000 0.214 457 L C 1.561 178.550 176.870 0.199 0.000 1.097 457 L CA 1.421 56.422 54.840 0.268 0.000 0.764 457 L CB -0.858 41.313 42.059 0.186 0.000 0.900 457 L HN 0.012 nan 8.230 nan 0.000 0.436 458 D N -0.352 120.144 120.400 0.160 0.000 2.347 458 D HA -0.041 4.599 4.640 0.000 0.000 0.215 458 D C 2.313 178.692 176.300 0.131 0.000 0.976 458 D CA 0.350 54.416 54.000 0.110 0.000 0.884 458 D CB 0.072 40.918 40.800 0.077 0.000 0.915 458 D HN 0.252 nan 8.370 nan 0.000 0.526 459 L N 0.979 122.329 121.223 0.213 0.000 2.010 459 L HA -0.227 4.113 4.340 0.000 0.000 0.219 459 L C -0.470 176.534 176.870 0.224 0.000 1.077 459 L CA 1.822 56.810 54.840 0.246 0.000 0.773 459 L CB -1.614 40.676 42.059 0.386 0.000 0.892 459 L HN 0.128 nan 8.230 nan 0.000 0.436 460 P HA -0.151 nan 4.420 nan 0.000 0.217 460 P C 1.328 178.704 177.300 0.126 0.000 1.151 460 P CA 1.126 64.318 63.100 0.155 0.000 0.828 460 P CB 0.047 31.650 31.700 -0.161 0.000 0.788 461 Q N -0.473 119.336 119.800 0.015 0.000 2.046 461 Q HA -0.088 4.252 4.340 0.000 0.000 0.200 461 Q C 2.194 178.191 176.000 -0.005 0.000 0.975 461 Q CA 1.282 57.072 55.803 -0.021 0.000 0.836 461 Q CB -1.087 27.621 28.738 -0.049 0.000 0.896 461 Q HN 0.232 nan 8.270 nan 0.000 0.428 462 I N 0.112 120.687 120.570 0.008 0.000 2.208 462 I HA -0.292 3.878 4.170 0.000 0.000 0.245 462 I C 1.973 178.108 176.117 0.030 0.000 1.097 462 I CA 1.270 62.550 61.300 -0.033 0.000 1.363 462 I CB -0.256 37.764 38.000 0.033 0.000 1.051 462 I HN 0.191 nan 8.210 nan 0.000 0.413 463 I N 0.072 120.722 120.570 0.134 0.000 2.353 463 I HA -0.225 3.945 4.170 0.000 0.000 0.248 463 I C 2.615 178.740 176.117 0.014 0.000 1.119 463 I CA 1.082 62.466 61.300 0.140 0.000 1.417 463 I CB -0.321 37.744 38.000 0.108 0.000 1.078 463 I HN 0.256 nan 8.210 nan 0.000 0.421 464 E N 1.161 121.408 120.200 0.079 0.000 2.051 464 E HA -0.230 4.120 4.350 0.000 0.000 0.192 464 E C 2.405 178.992 176.600 -0.021 0.000 0.991 464 E CA 1.031 57.459 56.400 0.048 0.000 0.799 464 E CB 0.120 29.887 29.700 0.112 0.000 0.748 464 E HN 0.264 nan 8.360 nan 0.000 0.449 465 R N 0.348 120.818 120.500 -0.050 0.000 2.080 465 R HA -0.132 4.208 4.340 0.000 0.000 0.236 465 R C 2.550 178.773 176.300 -0.129 0.000 1.137 465 R CA 1.082 57.124 56.100 -0.097 0.000 0.943 465 R CB -0.772 29.439 30.300 -0.148 0.000 0.846 465 R HN 0.350 nan 8.270 nan 0.000 0.431 466 L N -0.588 120.530 121.223 -0.176 0.000 2.109 466 L HA -0.138 4.202 4.340 0.000 0.000 0.207 466 L C 1.932 178.518 176.870 -0.473 0.000 1.086 466 L CA 1.285 55.916 54.840 -0.348 0.000 0.760 466 L CB -0.412 41.355 42.059 -0.486 0.000 0.910 466 L HN 0.330 nan 8.230 nan 0.000 0.437 467 H N -1.243 117.759 119.070 -0.115 0.000 3.058 467 H HA 0.276 4.832 4.556 0.000 0.000 0.258 467 H C 1.022 176.269 175.328 -0.135 0.000 1.015 467 H CA 0.734 56.698 56.048 -0.140 0.000 1.210 467 H CB 1.031 30.673 29.762 -0.201 0.000 1.481 467 H HN 0.295 nan 8.280 nan 0.000 0.492 468 G N 1.131 109.915 108.800 -0.026 0.000 2.829 468 G HA2 -0.248 3.712 3.960 0.000 0.000 0.628 468 G HA3 -0.248 3.712 3.960 0.000 0.000 0.628 468 G C 0.627 175.496 174.900 -0.051 0.000 1.412 468 G CA -0.128 44.959 45.100 -0.022 0.000 0.864 468 G HN 0.236 nan 8.290 nan 0.000 0.544 469 L N 0.963 122.209 121.223 0.039 0.000 2.362 469 L HA 0.002 4.342 4.340 0.000 0.000 0.219 469 L C 3.033 179.960 176.870 0.094 0.000 1.134 469 L CA 1.795 56.732 54.840 0.161 0.000 0.807 469 L CB -0.294 41.904 42.059 0.232 0.000 0.927 469 L HN 0.867 nan 8.230 nan 0.000 0.447 470 S N -0.349 115.350 115.700 -0.001 0.000 2.515 470 S HA -0.038 4.432 4.470 0.000 0.000 0.231 470 S C 1.977 176.509 174.600 -0.114 0.000 0.987 470 S CA 0.565 58.752 58.200 -0.021 0.000 0.936 470 S CB -0.105 63.073 63.200 -0.036 0.000 0.766 470 S HN 0.322 nan 8.310 nan 0.000 0.528 471 A N 0.386 123.044 122.820 -0.271 0.000 2.168 471 A HA 0.284 4.604 4.320 0.000 0.000 0.215 471 A C 1.189 178.560 177.584 -0.355 0.000 1.152 471 A CA 0.515 52.299 52.037 -0.421 0.000 0.716 471 A CB -0.700 17.940 19.000 -0.601 0.000 0.794 471 A HN 0.580 nan 8.150 nan 0.000 0.465 472 F N -0.114 119.852 119.950 0.028 0.000 2.693 472 F HA 0.166 4.693 4.527 0.000 0.000 0.303 472 F C 1.364 177.220 175.800 0.093 0.000 1.097 472 F CA 0.223 58.270 58.000 0.079 0.000 1.330 472 F CB 0.176 39.265 39.000 0.149 0.000 1.067 472 F HN 0.222 nan 8.300 nan 0.000 0.565 473 S N -1.506 114.311 115.700 0.195 0.000 3.051 473 S HA 0.296 4.766 4.470 0.000 0.000 0.250 473 S C -0.227 174.462 174.600 0.147 0.000 0.906 473 S CA -0.417 57.895 58.200 0.187 0.000 1.234 473 S CB -0.738 62.564 63.200 0.170 0.000 1.175 473 S HN 0.002 nan 8.310 nan 0.000 0.635 474 L N 3.293 124.522 121.223 0.010 0.000 2.426 474 L HA 0.537 4.877 4.340 0.000 0.000 0.271 474 L C 0.550 177.367 176.870 -0.089 0.000 1.169 474 L CA -0.006 54.719 54.840 -0.190 0.000 0.836 474 L CB 0.196 41.986 42.059 -0.448 0.000 1.112 474 L HN 0.649 nan 8.230 nan 0.000 0.465 475 H N -1.549 117.388 119.070 -0.221 0.000 2.933 475 H HA 0.402 4.958 4.556 0.000 0.000 0.310 475 H C -0.298 174.960 175.328 -0.118 0.000 1.351 475 H CA -0.944 55.067 56.048 -0.062 0.000 1.137 475 H CB 0.957 30.744 29.762 0.042 0.000 1.853 475 H HN 0.409 nan 8.280 nan 0.000 0.539 476 S N -0.888 114.920 115.700 0.180 0.000 3.484 476 S HA -0.247 4.223 4.470 0.000 0.000 0.384 476 S C -0.574 174.081 174.600 0.091 0.000 0.932 476 S CA 0.482 58.759 58.200 0.129 0.000 1.293 476 S CB -2.630 60.581 63.200 0.019 0.000 0.919 476 S HN 0.524 nan 8.310 nan 0.000 0.540 477 Y N 1.769 122.123 120.300 0.089 0.000 2.330 477 Y HA 0.326 4.876 4.550 0.000 0.000 0.341 477 Y C 1.467 177.437 175.900 0.116 0.000 1.278 477 Y CA 0.342 58.505 58.100 0.104 0.000 1.453 477 Y CB 0.453 38.962 38.460 0.082 0.000 1.342 477 Y HN 0.565 nan 8.280 nan 0.000 0.590 478 S N 1.262 117.132 115.700 0.284 0.000 2.585 478 S HA 0.133 4.603 4.470 0.000 0.000 0.273 478 S C -2.034 172.660 174.600 0.156 0.000 1.339 478 S CA -1.150 57.156 58.200 0.177 0.000 1.028 478 S CB 1.219 64.496 63.200 0.128 0.000 0.906 478 S HN 0.417 nan 8.310 nan 0.000 0.528 479 P HA -0.043 nan 4.420 nan 0.000 0.216 479 P C 1.704 179.051 177.300 0.079 0.000 1.153 479 P CA 1.820 64.973 63.100 0.089 0.000 0.858 479 P CB -0.477 31.264 31.700 0.069 0.000 0.789 480 G N -0.418 108.425 108.800 0.072 0.000 2.408 480 G HA2 -0.256 3.704 3.960 0.000 0.000 0.217 480 G HA3 -0.256 3.704 3.960 0.000 0.000 0.217 480 G C 1.663 176.603 174.900 0.066 0.000 1.150 480 G CA 0.736 45.869 45.100 0.056 0.000 0.776 480 G HN 0.255 nan 8.290 nan 0.000 0.542 481 E N 0.824 121.086 120.200 0.104 0.000 2.047 481 E HA -0.045 4.305 4.350 0.000 0.000 0.191 481 E C 2.431 179.097 176.600 0.109 0.000 0.987 481 E CA 0.807 57.289 56.400 0.136 0.000 0.799 481 E CB -0.408 29.439 29.700 0.247 0.000 0.752 481 E HN 0.483 nan 8.360 nan 0.000 0.449 482 I N 0.872 121.509 120.570 0.111 0.000 2.226 482 I HA -0.273 3.897 4.170 0.000 0.000 0.245 482 I C 1.841 177.990 176.117 0.053 0.000 1.100 482 I CA 1.087 62.430 61.300 0.073 0.000 1.374 482 I CB -0.452 37.601 38.000 0.089 0.000 1.057 482 I HN 0.127 nan 8.210 nan 0.000 0.413 483 N N 0.843 119.575 118.700 0.053 0.000 2.120 483 N HA -0.203 4.538 4.740 0.000 0.000 0.188 483 N C 1.880 177.404 175.510 0.023 0.000 1.024 483 N CA 1.145 54.218 53.050 0.038 0.000 0.852 483 N CB -0.483 38.026 38.487 0.036 0.000 1.003 483 N HN 0.335 nan 8.380 nan 0.000 0.424 484 R N 0.839 121.350 120.500 0.018 0.000 2.096 484 R HA -0.039 4.301 4.340 0.000 0.000 0.235 484 R C 1.736 178.017 176.300 -0.033 0.000 1.127 484 R CA 0.920 57.013 56.100 -0.011 0.000 0.968 484 R CB -0.100 30.189 30.300 -0.019 0.000 0.861 484 R HN -0.013 nan 8.270 nan 0.000 0.440 485 V N 0.958 120.865 119.914 -0.012 0.000 2.270 485 V HA -0.197 3.923 4.120 0.000 0.000 0.245 485 V C 2.505 178.596 176.094 -0.004 0.000 1.043 485 V CA 1.873 64.159 62.300 -0.023 0.000 1.014 485 V CB -0.830 31.007 31.823 0.022 0.000 0.645 485 V HN 0.556 nan 8.190 nan 0.000 0.447 486 A N 0.107 122.938 122.820 0.019 0.000 1.873 486 A HA -0.312 4.008 4.320 0.000 0.000 0.218 486 A C 2.609 180.209 177.584 0.027 0.000 1.193 486 A CA 2.732 54.789 52.037 0.034 0.000 0.629 486 A CB -1.083 17.941 19.000 0.040 0.000 0.826 486 A HN 0.579 nan 8.150 nan 0.000 0.447 487 S N -1.107 114.603 115.700 0.016 0.000 2.370 487 S HA -0.248 4.222 4.470 0.000 0.000 0.226 487 S C 2.109 176.714 174.600 0.009 0.000 1.033 487 S CA 1.920 60.128 58.200 0.014 0.000 1.011 487 S CB -1.180 62.023 63.200 0.005 0.000 0.852 487 S HN 0.897 nan 8.310 nan 0.000 0.457 488 C N 1.286 120.577 119.300 -0.015 0.000 2.457 488 C HA 0.167 4.627 4.460 0.000 0.000 0.278 488 C C 2.563 177.554 174.990 0.002 0.000 1.309 488 C CA 0.639 59.640 59.018 -0.029 0.000 1.735 488 C CB -1.755 25.926 27.740 -0.097 0.000 1.992 488 C HN 0.700 nan 8.230 nan 0.000 0.493 489 L N 0.590 121.822 121.223 0.015 0.000 2.012 489 L HA -0.149 4.191 4.340 0.000 0.000 0.210 489 L C 3.076 179.976 176.870 0.050 0.000 1.073 489 L CA 1.911 56.777 54.840 0.044 0.000 0.748 489 L CB -0.984 41.120 42.059 0.076 0.000 0.891 489 L HN 0.369 nan 8.230 nan 0.000 0.431 490 R N 0.247 120.783 120.500 0.060 0.000 2.080 490 R HA -0.206 4.134 4.340 0.000 0.000 0.236 490 R C 2.407 178.802 176.300 0.159 0.000 1.137 490 R CA 1.559 57.714 56.100 0.092 0.000 0.943 490 R CB -0.352 29.992 30.300 0.073 0.000 0.846 490 R HN 0.302 nan 8.270 nan 0.000 0.431 491 K N 0.993 121.464 120.400 0.119 0.000 2.001 491 K HA -0.176 4.144 4.320 0.000 0.000 0.214 491 K C 1.997 178.758 176.600 0.267 0.000 1.050 491 K CA 1.619 57.989 56.287 0.139 0.000 0.934 491 K CB -0.145 32.399 32.500 0.074 0.000 0.718 491 K HN 0.150 nan 8.250 nan 0.000 0.443 492 L N -0.698 120.624 121.223 0.165 0.000 2.418 492 L HA 0.079 4.419 4.340 0.000 0.000 0.218 492 L C 1.023 177.842 176.870 -0.086 0.000 1.125 492 L CA 0.507 55.422 54.840 0.126 0.000 0.835 492 L CB 0.019 42.115 42.059 0.063 0.000 0.953 492 L HN 0.598 nan 8.230 nan 0.000 0.454 493 G N 0.884 109.565 108.800 -0.198 0.000 2.248 493 G HA2 -0.209 3.751 3.960 0.000 0.000 0.263 493 G HA3 -0.209 3.751 3.960 0.000 0.000 0.263 493 G C -0.107 174.652 174.900 -0.234 0.000 1.082 493 G CA -0.049 44.707 45.100 -0.573 0.000 0.863 493 G HN 0.075 nan 8.290 nan 0.000 0.495 494 V N 0.569 120.455 119.914 -0.047 0.000 2.509 494 V HA 0.438 4.558 4.120 0.000 0.000 0.284 494 V C -1.224 174.951 176.094 0.135 0.000 1.047 494 V CA -1.726 60.631 62.300 0.094 0.000 0.952 494 V CB 1.466 33.381 31.823 0.153 0.000 0.988 494 V HN 0.190 nan 8.190 nan 0.000 0.469 495 P HA 0.051 nan 4.420 nan 0.000 0.264 495 P C -2.377 175.036 177.300 0.188 0.000 1.179 495 P CA -0.509 62.608 63.100 0.028 0.000 0.763 495 P CB -0.288 31.231 31.700 -0.302 0.000 0.806 496 P HA -0.034 nan 4.420 nan 0.000 0.269 496 P C 0.966 178.434 177.300 0.279 0.000 1.211 496 P CA 0.248 63.443 63.100 0.158 0.000 0.781 496 P CB 0.654 32.399 31.700 0.076 0.000 0.877 497 L N 1.024 122.417 121.223 0.282 0.000 2.187 497 L HA -0.200 4.140 4.340 0.000 0.000 0.213 497 L C 2.794 179.855 176.870 0.318 0.000 1.100 497 L CA 1.564 56.605 54.840 0.334 0.000 0.765 497 L CB -0.767 41.401 42.059 0.181 0.000 0.904 497 L HN 0.478 nan 8.230 nan 0.000 0.437 498 R N -0.453 120.170 120.500 0.205 0.000 2.115 498 R HA -0.074 4.266 4.340 0.000 0.000 0.230 498 R C 1.970 178.356 176.300 0.142 0.000 1.111 498 R CA 1.177 57.378 56.100 0.168 0.000 0.976 498 R CB -0.916 29.442 30.300 0.097 0.000 0.870 498 R HN 0.163 nan 8.270 nan 0.000 0.445 499 V N 0.689 120.633 119.914 0.049 0.000 2.358 499 V HA -0.175 3.945 4.120 0.000 0.000 0.246 499 V C 1.933 177.999 176.094 -0.045 0.000 1.047 499 V CA 1.723 63.969 62.300 -0.089 0.000 1.035 499 V CB -0.645 31.005 31.823 -0.287 0.000 0.658 499 V HN 0.359 nan 8.190 nan 0.000 0.452 500 W N 0.177 121.590 121.300 0.189 0.000 2.363 500 W HA -0.139 4.521 4.660 0.000 0.000 0.296 500 W C 2.729 179.470 176.519 0.370 0.000 1.212 500 W CA 1.523 59.026 57.345 0.264 0.000 1.260 500 W CB -0.294 29.317 29.460 0.252 0.000 1.131 500 W HN 0.061 nan 8.180 nan 0.000 0.530 501 R N -0.251 120.598 120.500 0.581 0.000 2.083 501 R HA -0.247 4.093 4.340 0.000 0.000 0.237 501 R C 2.077 178.500 176.300 0.205 0.000 1.137 501 R CA 2.216 58.599 56.100 0.472 0.000 0.951 501 R CB -0.750 29.803 30.300 0.423 0.000 0.851 501 R HN 0.228 nan 8.270 nan 0.000 0.434 502 H N 0.328 119.452 119.070 0.090 0.000 2.267 502 H HA -0.051 4.505 4.556 0.000 0.000 0.297 502 H C 2.105 177.416 175.328 -0.027 0.000 1.080 502 H CA 2.381 58.430 56.048 0.001 0.000 1.278 502 H CB 0.033 29.780 29.762 -0.024 0.000 1.365 502 H HN 0.151 nan 8.280 nan 0.000 0.489 503 R N -0.168 120.357 120.500 0.043 0.000 2.119 503 R HA -0.181 4.159 4.340 0.000 0.000 0.246 503 R C 2.522 178.777 176.300 -0.075 0.000 1.146 503 R CA 1.253 57.337 56.100 -0.026 0.000 0.962 503 R CB -0.530 29.798 30.300 0.047 0.000 0.863 503 R HN 0.420 nan 8.270 nan 0.000 0.442 504 A N 1.238 124.062 122.820 0.007 0.000 1.933 504 A HA -0.168 4.152 4.320 0.000 0.000 0.218 504 A C 2.122 179.465 177.584 -0.402 0.000 1.175 504 A CA 1.231 53.162 52.037 -0.176 0.000 0.628 504 A CB -0.331 18.633 19.000 -0.060 0.000 0.814 504 A HN 0.241 nan 8.150 nan 0.000 0.444 505 R N -0.494 119.812 120.500 -0.323 0.000 2.081 505 R HA -0.111 4.229 4.340 0.000 0.000 0.235 505 R C 2.648 178.763 176.300 -0.309 0.000 1.131 505 R CA 1.539 57.449 56.100 -0.317 0.000 0.960 505 R CB -0.432 29.704 30.300 -0.274 0.000 0.856 505 R HN 0.569 nan 8.270 nan 0.000 0.436 506 S N 0.229 115.741 115.700 -0.314 0.000 2.355 506 S HA -0.102 4.368 4.470 0.000 0.000 0.222 506 S C 2.056 176.501 174.600 -0.259 0.000 1.031 506 S CA 1.294 59.338 58.200 -0.259 0.000 0.993 506 S CB -0.188 62.875 63.200 -0.228 0.000 0.859 506 S HN 0.119 nan 8.310 nan 0.000 0.453 507 V N 2.630 122.349 119.914 -0.325 0.000 2.287 507 V HA -0.166 3.954 4.120 0.000 0.000 0.248 507 V C 2.782 178.563 176.094 -0.522 0.000 1.053 507 V CA 2.311 64.364 62.300 -0.412 0.000 1.027 507 V CB -0.881 30.623 31.823 -0.533 0.000 0.646 507 V HN 0.515 nan 8.190 nan 0.000 0.447 508 R N 0.197 120.306 120.500 -0.652 0.000 2.094 508 R HA -0.235 4.105 4.340 0.000 0.000 0.239 508 R C 2.309 178.473 176.300 -0.226 0.000 1.137 508 R CA 2.073 57.925 56.100 -0.414 0.000 0.943 508 R CB -0.566 29.551 30.300 -0.305 0.000 0.850 508 R HN 0.485 nan 8.270 nan 0.000 0.433 509 A N 0.848 123.543 122.820 -0.208 0.000 1.933 509 A HA -0.167 4.153 4.320 0.000 0.000 0.218 509 A C 2.202 179.719 177.584 -0.112 0.000 1.175 509 A CA 1.537 53.489 52.037 -0.141 0.000 0.628 509 A CB -0.430 18.488 19.000 -0.137 0.000 0.814 509 A HN 0.395 nan 8.150 nan 0.000 0.444 510 R N -0.684 119.741 120.500 -0.125 0.000 2.092 510 R HA 0.006 4.346 4.340 0.000 0.000 0.231 510 R C 2.020 178.289 176.300 -0.052 0.000 1.119 510 R CA 1.339 57.390 56.100 -0.082 0.000 0.970 510 R CB -0.417 29.835 30.300 -0.081 0.000 0.864 510 R HN 0.513 nan 8.270 nan 0.000 0.440 511 L N 0.368 121.551 121.223 -0.068 0.000 2.027 511 L HA -0.165 4.175 4.340 0.000 0.000 0.206 511 L C 2.295 179.159 176.870 -0.010 0.000 1.074 511 L CA 1.116 55.946 54.840 -0.016 0.000 0.745 511 L CB -0.486 41.558 42.059 -0.025 0.000 0.898 511 L HN 0.186 nan 8.230 nan 0.000 0.433 512 L N -0.713 120.489 121.223 -0.034 0.000 2.034 512 L HA -0.321 4.019 4.340 0.000 0.000 0.217 512 L C 2.753 179.612 176.870 -0.018 0.000 1.077 512 L CA 1.498 56.321 54.840 -0.028 0.000 0.769 512 L CB -0.776 41.253 42.059 -0.049 0.000 0.890 512 L HN 0.225 nan 8.230 nan 0.000 0.435 513 S N -0.736 114.949 115.700 -0.025 0.000 2.374 513 S HA -0.219 4.251 4.470 0.000 0.000 0.227 513 S C 1.842 176.441 174.600 -0.001 0.000 1.037 513 S CA 1.322 59.512 58.200 -0.017 0.000 1.024 513 S CB -0.246 62.940 63.200 -0.024 0.000 0.861 513 S HN 0.475 nan 8.310 nan 0.000 0.456 514 Q N 0.647 120.453 119.800 0.010 0.000 2.437 514 Q HA 0.146 4.486 4.340 0.000 0.000 0.210 514 Q C 1.469 177.485 176.000 0.026 0.000 0.972 514 Q CA 0.619 56.437 55.803 0.024 0.000 0.903 514 Q CB -0.987 27.778 28.738 0.044 0.000 0.967 514 Q HN 0.540 nan 8.270 nan 0.000 0.486 515 G N 0.487 109.299 108.800 0.020 0.000 2.726 515 G HA2 -0.131 3.829 3.960 0.000 0.000 0.261 515 G HA3 -0.131 3.829 3.960 0.000 0.000 0.261 515 G C 0.580 175.501 174.900 0.034 0.000 1.352 515 G CA 0.582 45.695 45.100 0.022 0.000 0.906 515 G HN 0.814 nan 8.290 nan 0.000 0.566 516 G N -1.040 107.779 108.800 0.032 0.000 2.550 516 G HA2 -0.266 3.694 3.960 0.000 0.000 0.277 516 G HA3 -0.266 3.694 3.960 0.000 0.000 0.277 516 G C 1.173 176.102 174.900 0.047 0.000 1.190 516 G CA 1.332 46.455 45.100 0.038 0.000 0.971 516 G HN 1.330 nan 8.290 nan 0.000 0.559 517 R N 0.274 120.809 120.500 0.058 0.000 2.075 517 R HA 0.104 4.444 4.340 0.000 0.000 0.232 517 R C 3.272 179.627 176.300 0.091 0.000 1.126 517 R CA 1.941 58.084 56.100 0.070 0.000 0.963 517 R CB -0.655 29.695 30.300 0.082 0.000 0.858 517 R HN 0.727 nan 8.270 nan 0.000 0.435 518 A N 1.339 124.224 122.820 0.108 0.000 1.940 518 A HA -0.168 4.152 4.320 0.000 0.000 0.219 518 A C 2.352 179.977 177.584 0.069 0.000 1.176 518 A CA 1.834 53.944 52.037 0.122 0.000 0.631 518 A CB -0.594 18.483 19.000 0.129 0.000 0.814 518 A HN 0.419 nan 8.150 nan 0.000 0.446 519 A N -1.142 121.709 122.820 0.051 0.000 1.969 519 A HA -0.044 4.276 4.320 0.000 0.000 0.218 519 A C 2.267 179.875 177.584 0.040 0.000 1.169 519 A CA 2.165 54.220 52.037 0.030 0.000 0.635 519 A CB -1.061 17.952 19.000 0.023 0.000 0.810 519 A HN 0.447 nan 8.150 nan 0.000 0.445 520 T N -0.891 113.700 114.554 0.062 0.000 2.777 520 T HA -0.159 4.191 4.350 0.000 0.000 0.266 520 T C 1.899 176.653 174.700 0.091 0.000 1.040 520 T CA 1.439 63.604 62.100 0.109 0.000 1.141 520 T CB -0.673 68.233 68.868 0.062 0.000 0.868 520 T HN 0.561 nan 8.240 nan 0.000 0.444 521 C N 1.571 120.887 119.300 0.027 0.000 2.413 521 C HA -0.017 4.443 4.460 0.000 0.000 0.276 521 C C 3.088 178.058 174.990 -0.033 0.000 1.248 521 C CA 0.605 59.581 59.018 -0.070 0.000 1.742 521 C CB -1.565 26.099 27.740 -0.127 0.000 2.017 521 C HN 0.741 nan 8.230 nan 0.000 0.481 522 G N 0.045 108.863 108.800 0.030 0.000 2.459 522 G HA2 -0.286 3.674 3.960 0.000 0.000 0.217 522 G HA3 -0.286 3.674 3.960 0.000 0.000 0.217 522 G C 1.608 176.528 174.900 0.034 0.000 1.183 522 G CA 1.243 46.390 45.100 0.079 0.000 0.776 522 G HN 0.625 nan 8.290 nan 0.000 0.552 523 K N -0.745 119.635 120.400 -0.034 0.000 1.978 523 K HA -0.132 4.188 4.320 0.000 0.000 0.214 523 K C 2.314 178.714 176.600 -0.332 0.000 1.049 523 K CA 1.677 57.860 56.287 -0.173 0.000 0.939 523 K CB -0.325 32.070 32.500 -0.174 0.000 0.721 523 K HN 0.452 nan 8.250 nan 0.000 0.441 524 Y N 0.426 120.516 120.300 -0.351 0.000 2.231 524 Y HA -0.030 4.520 4.550 0.000 0.000 0.294 524 Y C 2.076 177.624 175.900 -0.587 0.000 1.120 524 Y CA 0.751 58.431 58.100 -0.699 0.000 1.141 524 Y CB -0.009 37.656 38.460 -1.325 0.000 1.022 524 Y HN -0.011 nan 8.280 nan 0.000 0.523 525 L N -1.635 119.381 121.223 -0.345 0.000 2.201 525 L HA -0.159 4.181 4.340 0.000 0.000 0.212 525 L C 0.678 177.260 176.870 -0.480 0.000 1.105 525 L CA 1.368 55.966 54.840 -0.403 0.000 0.775 525 L CB -0.246 41.377 42.059 -0.727 0.000 0.913 525 L HN 0.227 nan 8.230 nan 0.000 0.440 526 F N -2.252 117.663 119.950 -0.059 0.000 2.772 526 F HA 0.175 4.702 4.527 0.000 0.000 0.316 526 F C 1.573 177.061 175.800 -0.520 0.000 1.114 526 F CA -0.449 57.304 58.000 -0.411 0.000 1.191 526 F CB -0.464 38.305 39.000 -0.385 0.000 1.065 526 F HN -0.103 nan 8.300 nan 0.000 0.534 527 N N 1.232 119.857 118.700 -0.124 0.000 2.258 527 N HA -0.215 4.525 4.740 0.000 0.000 0.187 527 N C 1.986 177.485 175.510 -0.017 0.000 1.012 527 N CA 1.948 54.944 53.050 -0.090 0.000 0.870 527 N CB -0.194 38.255 38.487 -0.064 0.000 0.977 527 N HN 0.537 nan 8.380 nan 0.000 0.434 528 W N -0.533 120.809 121.300 0.071 0.000 2.425 528 W HA 0.152 4.812 4.660 0.000 0.000 0.277 528 W C 1.449 178.029 176.519 0.103 0.000 1.231 528 W CA 0.655 58.055 57.345 0.092 0.000 1.248 528 W CB -0.903 28.624 29.460 0.111 0.000 1.117 528 W HN 0.053 nan 8.180 nan 0.000 0.568 529 A N 1.580 123.962 122.820 -0.730 0.000 2.119 529 A HA 0.130 4.450 4.320 0.000 0.000 0.217 529 A C 1.096 178.532 177.584 -0.247 0.000 1.153 529 A CA 1.278 52.874 52.037 -0.734 0.000 0.692 529 A CB -0.912 17.465 19.000 -1.038 0.000 0.799 529 A HN 0.151 nan 8.150 nan 0.000 0.458 530 V N -3.524 116.291 119.914 -0.166 0.000 2.547 530 V HA 0.432 4.552 4.120 0.000 0.000 0.299 530 V C 0.813 176.887 176.094 -0.033 0.000 1.040 530 V CA -0.938 61.305 62.300 -0.095 0.000 0.913 530 V CB 1.480 33.236 31.823 -0.112 0.000 0.992 530 V HN 0.308 nan 8.190 nan 0.000 0.449 531 K N 1.221 121.608 120.400 -0.022 0.000 1.978 531 K HA -0.077 4.243 4.320 0.000 0.000 0.214 531 K C 1.132 177.722 176.600 -0.016 0.000 1.049 531 K CA 2.010 58.293 56.287 -0.006 0.000 0.939 531 K CB -0.180 32.316 32.500 -0.005 0.000 0.721 531 K HN 0.836 nan 8.250 nan 0.000 0.441 532 T N 2.010 116.548 114.554 -0.027 0.000 2.743 532 T HA 0.167 4.518 4.350 0.000 0.000 0.293 532 T C -1.049 173.626 174.700 -0.042 0.000 0.945 532 T CA -0.707 61.374 62.100 -0.031 0.000 1.030 532 T CB 0.399 69.249 68.868 -0.030 0.000 0.912 532 T HN 0.019 nan 8.240 nan 0.000 0.483 533 K N 4.562 124.938 120.400 -0.040 0.000 2.182 533 K HA 0.462 4.782 4.320 0.000 0.000 0.262 533 K C -0.331 176.230 176.600 -0.064 0.000 0.957 533 K CA -1.040 55.216 56.287 -0.050 0.000 0.842 533 K CB 1.647 34.130 32.500 -0.029 0.000 1.099 533 K HN 0.331 nan 8.250 nan 0.000 0.438 534 L N 1.811 122.978 121.223 -0.093 0.000 2.456 534 L HA 0.002 4.342 4.340 0.000 0.000 0.266 534 L C 0.282 177.084 176.870 -0.114 0.000 1.258 534 L CA 0.655 55.427 54.840 -0.113 0.000 0.823 534 L CB -0.053 41.911 42.059 -0.159 0.000 1.100 534 L HN 0.510 nan 8.230 nan 0.000 0.531 535 K N 0.938 121.271 120.400 -0.112 0.000 2.235 535 K HA 0.539 4.859 4.320 0.000 0.000 0.266 535 K C -1.464 175.064 176.600 -0.120 0.000 0.980 535 K CA -0.108 56.129 56.287 -0.083 0.000 0.849 535 K CB 0.607 33.083 32.500 -0.039 0.000 1.098 535 K HN 0.400 nan 8.250 nan 0.000 0.445 536 L N 4.263 125.435 121.223 -0.084 0.000 2.265 536 L HA 0.467 4.807 4.340 0.000 0.000 0.289 536 L C 0.039 176.990 176.870 0.135 0.000 1.033 536 L CA -0.730 54.075 54.840 -0.059 0.000 0.814 536 L CB 1.374 43.420 42.059 -0.021 0.000 1.203 536 L HN 0.779 nan 8.230 nan 0.000 0.423 537 T N 0.728 115.411 114.554 0.216 0.000 2.876 537 T HA 0.574 4.924 4.350 0.000 0.000 0.289 537 T C -2.665 172.161 174.700 0.210 0.000 1.014 537 T CA -2.388 59.816 62.100 0.173 0.000 0.986 537 T CB 1.870 70.801 68.868 0.105 0.000 1.021 537 T HN 0.144 nan 8.240 nan 0.000 0.458 538 P HA 0.049 nan 4.420 nan 0.000 0.263 538 P C -0.417 176.896 177.300 0.021 0.000 1.162 538 P CA 0.254 63.396 63.100 0.070 0.000 0.758 538 P CB 0.086 31.813 31.700 0.044 0.000 0.773 539 I N 6.093 126.616 120.570 -0.078 0.000 2.416 539 I HA 0.109 4.279 4.170 0.000 0.000 0.288 539 I C -1.247 174.833 176.117 -0.062 0.000 1.051 539 I CA -1.837 59.388 61.300 -0.125 0.000 1.375 539 I CB 1.088 38.928 38.000 -0.267 0.000 1.407 539 I HN 0.316 nan 8.210 nan 0.000 0.516 540 P HA -0.147 nan 4.420 nan 0.000 0.217 540 P C 1.396 178.676 177.300 -0.034 0.000 1.150 540 P CA 0.936 64.021 63.100 -0.025 0.000 0.832 540 P CB 0.255 31.948 31.700 -0.012 0.000 0.787 541 A N 0.021 122.817 122.820 -0.041 0.000 2.019 541 A HA -0.072 4.249 4.320 0.000 0.000 0.219 541 A C 2.270 179.822 177.584 -0.053 0.000 1.164 541 A CA 1.775 53.787 52.037 -0.041 0.000 0.644 541 A CB -1.462 17.516 19.000 -0.037 0.000 0.805 541 A HN 0.196 nan 8.150 nan 0.000 0.449 542 A N 0.505 123.286 122.820 -0.064 0.000 1.877 542 A HA -0.107 4.213 4.320 0.000 0.000 0.216 542 A C 2.292 179.834 177.584 -0.071 0.000 1.186 542 A CA 2.053 54.048 52.037 -0.071 0.000 0.620 542 A CB -1.016 17.945 19.000 -0.065 0.000 0.822 542 A HN 0.843 nan 8.150 nan 0.000 0.443 543 S N -1.043 114.625 115.700 -0.054 0.000 2.595 543 S HA -0.021 4.449 4.470 0.000 0.000 0.235 543 S C 0.940 175.509 174.600 -0.052 0.000 0.974 543 S CA 0.962 59.133 58.200 -0.049 0.000 0.942 543 S CB -0.144 63.036 63.200 -0.033 0.000 0.766 543 S HN 0.646 nan 8.310 nan 0.000 0.536 544 Q N 0.637 120.403 119.800 -0.056 0.000 2.628 544 Q HA 0.529 4.869 4.340 0.000 0.000 0.397 544 Q C -1.289 174.670 176.000 -0.068 0.000 0.916 544 Q CA -0.132 55.640 55.803 -0.053 0.000 1.071 544 Q CB 0.222 28.938 28.738 -0.037 0.000 1.367 544 Q HN 0.437 nan 8.270 nan 0.000 0.404 545 L N 0.320 121.485 121.223 -0.097 0.000 2.386 545 L HA 0.406 4.746 4.340 0.000 0.000 0.271 545 L C -0.556 176.215 176.870 -0.165 0.000 0.993 545 L CA -0.827 53.932 54.840 -0.134 0.000 0.819 545 L CB 1.960 43.911 42.059 -0.180 0.000 1.294 545 L HN 0.142 nan 8.230 nan 0.000 0.414 546 D N 2.978 123.286 120.400 -0.153 0.000 2.801 546 D HA 0.110 4.750 4.640 0.000 0.000 0.232 546 D C 0.629 176.768 176.300 -0.268 0.000 1.128 546 D CA 0.029 53.942 54.000 -0.144 0.000 1.003 546 D CB 0.448 41.210 40.800 -0.064 0.000 1.110 546 D HN 0.217 nan 8.370 nan 0.000 0.477 547 L N 0.911 121.887 121.223 -0.412 0.000 2.611 547 L HA 0.102 4.442 4.340 0.000 0.000 0.229 547 L C 0.883 177.503 176.870 -0.417 0.000 1.137 547 L CA 0.109 54.489 54.840 -0.767 0.000 0.901 547 L CB -0.721 40.870 42.059 -0.780 0.000 1.098 547 L HN 0.135 nan 8.230 nan 0.000 0.456 548 S N -1.012 114.571 115.700 -0.195 0.000 2.562 548 S HA 0.449 4.919 4.470 0.000 0.000 0.281 548 S C 1.355 175.957 174.600 0.004 0.000 1.333 548 S CA 0.109 58.270 58.200 -0.066 0.000 1.052 548 S CB 0.981 64.154 63.200 -0.046 0.000 0.884 548 S HN 0.572 nan 8.310 nan 0.000 0.506 549 G N 2.286 111.119 108.800 0.054 0.000 2.195 549 G HA2 -0.231 3.729 3.960 0.000 0.000 0.246 549 G HA3 -0.231 3.729 3.960 0.000 0.000 0.246 549 G C 0.481 175.512 174.900 0.218 0.000 0.984 549 G CA 0.298 45.438 45.100 0.067 0.000 0.633 549 G HN 0.679 nan 8.290 nan 0.000 0.525 550 W N 0.241 121.400 121.300 -0.234 0.000 2.441 550 W HA 0.480 5.140 4.660 -0.000 0.000 0.302 550 W C 1.173 177.283 176.519 -0.682 0.000 1.191 550 W CA 1.060 58.025 57.345 -0.634 0.000 1.327 550 W CB -0.411 28.343 29.460 -1.177 0.000 1.128 550 W HN 0.196 nan 8.180 nan 0.000 0.522 551 F N -0.442 119.701 119.950 0.320 0.000 2.471 551 F HA 0.329 4.856 4.527 -0.000 0.000 0.318 551 F C 0.610 176.544 175.800 0.222 0.000 1.308 551 F CA -0.506 57.675 58.000 0.303 0.000 1.162 551 F CB -0.195 38.948 39.000 0.238 0.000 1.383 551 F HN -0.391 nan 8.300 nan 0.000 0.552 552 V N 0.099 120.217 119.914 0.339 0.000 2.840 552 V HA 0.608 4.728 4.120 0.000 0.000 0.234 552 V C 0.874 177.121 176.094 0.255 0.000 1.159 552 V CA 0.674 63.120 62.300 0.244 0.000 1.194 552 V CB 0.498 32.445 31.823 0.207 0.000 0.971 552 V HN 0.421 nan 8.190 nan 0.000 0.494 553 A N -0.815 122.132 122.820 0.211 0.000 2.594 553 A HA 0.788 5.108 4.320 0.000 0.000 0.291 553 A C -0.276 177.015 177.584 -0.489 0.000 1.105 553 A CA 0.089 52.089 52.037 -0.061 0.000 0.694 553 A CB 1.228 20.011 19.000 -0.362 0.000 1.291 553 A HN 0.417 nan 8.150 nan 0.000 0.410 554 G N -1.359 106.857 108.800 -0.973 0.000 2.389 554 G HA2 0.544 4.504 3.960 0.000 0.000 0.317 554 G HA3 0.544 4.504 3.960 0.000 0.000 0.317 554 G C -0.895 173.409 174.900 -0.994 0.000 1.137 554 G CA -0.090 44.125 45.100 -1.476 0.000 0.870 554 G HN 0.616 nan 8.290 nan 0.000 0.496 555 Y N 0.336 120.429 120.300 -0.346 0.000 2.830 555 Y HA 0.191 4.741 4.550 0.000 0.000 0.255 555 Y C 1.318 177.141 175.900 -0.129 0.000 1.130 555 Y CA -0.697 57.298 58.100 -0.175 0.000 1.217 555 Y CB 0.128 38.502 38.460 -0.144 0.000 1.296 555 Y HN 0.591 nan 8.280 nan 0.000 0.571 556 S N -0.124 115.550 115.700 -0.042 0.000 2.549 556 S HA 0.388 4.858 4.470 0.000 0.000 0.286 556 S C 1.545 176.167 174.600 0.036 0.000 1.314 556 S CA 0.513 58.717 58.200 0.007 0.000 1.062 556 S CB 1.056 64.270 63.200 0.022 0.000 0.865 556 S HN 0.976 nan 8.310 nan 0.000 0.498 557 G N 2.581 111.405 108.800 0.040 0.000 2.245 557 G HA2 -0.234 3.726 3.960 0.000 0.000 0.264 557 G HA3 -0.234 3.726 3.960 0.000 0.000 0.264 557 G C 0.814 175.750 174.900 0.060 0.000 0.985 557 G CA 0.250 45.383 45.100 0.055 0.000 0.625 557 G HN 1.549 nan 8.290 nan 0.000 0.536 558 G N -0.148 108.690 108.800 0.063 0.000 3.088 558 G HA2 0.389 4.349 3.960 0.000 0.000 0.212 558 G HA3 0.389 4.349 3.960 0.000 0.000 0.212 558 G C 0.478 175.409 174.900 0.052 0.000 1.173 558 G CA 1.171 46.325 45.100 0.090 0.000 0.779 558 G HN 1.150 nan 8.290 nan 0.000 0.540 559 D N -0.470 119.928 120.400 -0.004 0.000 2.699 559 D HA -0.164 4.476 4.640 0.000 0.000 0.239 559 D C -0.124 176.122 176.300 -0.089 0.000 1.136 559 D CA 0.373 54.344 54.000 -0.047 0.000 0.668 559 D CB -1.176 39.610 40.800 -0.022 0.000 1.060 559 D HN 0.124 nan 8.370 nan 0.000 0.429 560 I N 1.565 122.042 120.570 -0.156 0.000 2.378 560 I HA 0.284 4.454 4.170 0.000 0.000 0.291 560 I C -0.055 175.816 176.117 -0.409 0.000 0.992 560 I CA -0.728 60.371 61.300 -0.335 0.000 1.154 560 I CB 1.071 38.746 38.000 -0.543 0.000 1.315 560 I HN 0.078 nan 8.210 nan 0.000 0.448 561 Y N 6.332 126.324 120.300 -0.513 0.000 2.335 561 Y HA 0.441 4.991 4.550 0.000 0.000 0.338 561 Y C -0.207 175.375 175.900 -0.530 0.000 0.977 561 Y CA -0.279 57.528 58.100 -0.488 0.000 1.114 561 Y CB 1.049 39.321 38.460 -0.312 0.000 1.182 561 Y HN 0.599 nan 8.280 nan 0.000 0.463 562 H N 0.000 118.492 119.070 -0.964 0.000 2.539 562 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 562 H CA 0.000 55.603 56.048 -0.741 0.000 1.023 562 H CB 0.000 29.235 29.762 -0.879 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496