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 2ax1_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI 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 KLGVPPLRAW DATA SEQUENCE RHRARNVRAR LLSRGGRAAI CGKYLFNWAV KTKLKLTPIA XXXXXXXXSW DATA SEQUENCE FTAGYSGGDI 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 0.000 174.550 174.600 -0.083 0.000 1.055 1 S CA 0.000 58.167 58.200 -0.055 0.000 1.107 1 S CB 0.000 63.160 63.200 -0.066 0.000 0.593 2 M N 3.284 122.832 119.600 -0.088 0.000 2.219 2 M HA 0.244 4.723 4.480 -0.000 0.000 0.353 2 M C 1.921 178.085 176.300 -0.226 0.000 1.304 2 M CA 0.105 55.333 55.300 -0.120 0.000 1.115 2 M CB 0.622 33.180 32.600 -0.070 0.000 1.664 2 M HN 1.048 nan 8.290 nan 0.000 0.459 3 S N 3.199 118.685 115.700 -0.357 0.000 2.383 3 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 3 S C 0.198 174.373 174.600 -0.708 0.000 1.030 3 S CA 1.056 58.932 58.200 -0.540 0.000 1.002 3 S CB -0.215 62.593 63.200 -0.654 0.000 0.829 3 S HN 0.660 nan 8.310 nan 0.000 0.467 4 Y N -0.504 119.609 120.300 -0.312 0.000 2.588 4 Y HA 0.582 5.132 4.550 -0.000 0.000 0.343 4 Y C -0.347 175.234 175.900 -0.533 0.000 1.065 4 Y CA -1.054 56.734 58.100 -0.520 0.000 1.038 4 Y CB 2.188 40.179 38.460 -0.781 0.000 1.297 4 Y HN -0.170 nan 8.280 nan 0.000 0.467 5 T N 1.405 115.666 114.554 -0.489 0.000 2.937 5 T HA 0.346 4.696 4.350 -0.000 0.000 0.297 5 T C -1.552 172.914 174.700 -0.390 0.000 0.991 5 T CA -0.802 61.116 62.100 -0.303 0.000 0.990 5 T CB 0.407 69.211 68.868 -0.106 0.000 0.991 5 T HN 0.438 nan 8.240 nan 0.000 0.440 6 W N 1.538 122.891 121.300 0.089 0.000 2.606 6 W HA 0.410 5.070 4.660 -0.000 0.000 0.332 6 W C 1.605 178.151 176.519 0.046 0.000 1.052 6 W CA -0.938 56.444 57.345 0.061 0.000 1.223 6 W CB 1.001 30.480 29.460 0.033 0.000 1.383 6 W HN 0.746 nan 8.180 nan 0.000 0.524 7 T N -2.090 112.640 114.554 0.293 0.000 3.014 7 T HA 0.276 4.625 4.350 -0.000 0.000 0.263 7 T C 1.477 176.261 174.700 0.140 0.000 1.078 7 T CA 1.046 63.248 62.100 0.169 0.000 1.135 7 T CB -0.086 68.860 68.868 0.131 0.000 0.895 7 T HN 1.115 nan 8.240 nan 0.000 0.480 8 G N 1.228 110.118 108.800 0.150 0.000 2.316 8 G HA2 0.067 4.026 3.960 -0.000 0.000 0.203 8 G HA3 0.067 4.026 3.960 -0.000 0.000 0.203 8 G C 0.404 175.331 174.900 0.044 0.000 0.999 8 G CA -0.131 45.013 45.100 0.074 0.000 0.649 8 G HN 1.065 nan 8.290 nan 0.000 0.489 9 A N 0.893 123.753 122.820 0.067 0.000 2.466 9 A HA 0.623 4.942 4.320 -0.000 0.000 0.238 9 A C 0.683 178.275 177.584 0.014 0.000 1.074 9 A CA 0.398 52.461 52.037 0.044 0.000 0.774 9 A CB 0.150 19.187 19.000 0.062 0.000 1.015 9 A HN 0.899 nan 8.150 nan 0.000 0.498 10 L N 1.430 122.649 121.223 -0.007 0.000 2.379 10 L HA 0.376 4.716 4.340 -0.000 0.000 0.269 10 L C -0.030 176.820 176.870 -0.033 0.000 1.084 10 L CA -0.468 54.348 54.840 -0.041 0.000 0.802 10 L CB 1.050 43.087 42.059 -0.037 0.000 1.175 10 L HN 0.558 nan 8.230 nan 0.000 0.448 11 I N 1.768 122.298 120.570 -0.067 0.000 2.379 11 I HA 0.101 4.271 4.170 -0.000 0.000 0.290 11 I C 0.427 176.531 176.117 -0.020 0.000 1.063 11 I CA 0.035 61.310 61.300 -0.042 0.000 1.351 11 I CB 0.879 38.832 38.000 -0.079 0.000 1.410 11 I HN 0.666 nan 8.210 nan 0.000 0.505 12 T N 5.004 119.559 114.554 0.001 0.000 2.918 12 T HA 0.609 4.959 4.350 -0.000 0.000 0.286 12 T C -2.546 172.168 174.700 0.025 0.000 1.026 12 T CA -2.080 60.025 62.100 0.010 0.000 1.031 12 T CB 1.951 70.824 68.868 0.010 0.000 1.046 12 T HN 0.270 nan 8.240 nan 0.000 0.479 13 P HA 0.282 nan 4.420 nan 0.000 0.279 13 P C 0.657 177.981 177.300 0.039 0.000 1.252 13 P CA -0.758 62.366 63.100 0.040 0.000 0.811 13 P CB 0.945 32.668 31.700 0.039 0.000 1.035 14 C N -0.288 119.041 119.300 0.047 0.000 2.906 14 C HA 0.798 5.258 4.460 -0.000 0.000 0.274 14 C C 0.689 175.702 174.990 0.037 0.000 1.257 14 C CA -0.097 58.946 59.018 0.042 0.000 1.695 14 C CB -1.131 26.640 27.740 0.052 0.000 1.958 14 C HN 0.707 nan 8.230 nan 0.000 0.619 15 A N 0.144 122.988 122.820 0.041 0.000 2.564 15 A HA 0.789 5.109 4.320 -0.000 0.000 0.291 15 A C -0.471 177.141 177.584 0.046 0.000 1.102 15 A CA 0.022 52.084 52.037 0.041 0.000 0.660 15 A CB -0.254 18.772 19.000 0.043 0.000 1.283 15 A HN 1.409 nan 8.150 nan 0.000 0.430 16 A N 0.150 122.998 122.820 0.046 0.000 2.511 16 A HA 0.502 4.822 4.320 -0.000 0.000 0.242 16 A C -0.008 177.617 177.584 0.069 0.000 1.069 16 A CA 0.441 52.509 52.037 0.052 0.000 0.763 16 A CB -0.317 18.712 19.000 0.047 0.000 1.001 16 A HN 0.591 nan 8.150 nan 0.000 0.498 17 E N 1.873 122.119 120.200 0.076 0.000 2.145 17 E HA 0.261 4.611 4.350 -0.000 0.000 0.270 17 E C -0.818 175.862 176.600 0.135 0.000 0.906 17 E CA -0.694 55.767 56.400 0.102 0.000 0.761 17 E CB 1.193 30.947 29.700 0.089 0.000 1.116 17 E HN 0.602 nan 8.360 nan 0.000 0.408 18 E N 1.433 121.749 120.200 0.193 0.000 2.289 18 E HA 0.069 4.419 4.350 -0.000 0.000 0.278 18 E C 0.399 177.226 176.600 0.377 0.000 1.032 18 E CA -0.002 56.555 56.400 0.261 0.000 0.854 18 E CB 1.550 31.425 29.700 0.291 0.000 1.046 18 E HN 0.591 nan 8.360 nan 0.000 0.409 19 S N 1.982 117.889 115.700 0.345 0.000 2.575 19 S HA 0.165 4.635 4.470 -0.000 0.000 0.230 19 S C 0.464 175.337 174.600 0.454 0.000 1.062 19 S CA -0.177 58.232 58.200 0.347 0.000 0.913 19 S CB 0.558 63.887 63.200 0.215 0.000 0.837 19 S HN 0.219 nan 8.310 nan 0.000 0.487 20 K N 1.060 121.693 120.400 0.390 0.000 2.203 20 K HA 0.544 4.864 4.320 -0.000 0.000 0.251 20 K C -1.474 175.270 176.600 0.240 0.000 0.944 20 K CA -0.907 55.586 56.287 0.343 0.000 0.829 20 K CB 1.885 34.506 32.500 0.201 0.000 1.125 20 K HN 0.128 nan 8.250 nan 0.000 0.430 21 L N 4.199 125.587 121.223 0.275 0.000 2.369 21 L HA 0.234 4.574 4.340 -0.000 0.000 0.279 21 L C -2.435 174.396 176.870 -0.065 0.000 1.108 21 L CA -1.419 53.436 54.840 0.025 0.000 0.852 21 L CB 0.004 42.200 42.059 0.229 0.000 1.169 21 L HN 0.410 nan 8.230 nan 0.000 0.452 22 P HA 0.149 nan 4.420 nan 0.000 0.269 22 P C -0.546 176.623 177.300 -0.218 0.000 1.215 22 P CA -0.072 62.913 63.100 -0.193 0.000 0.780 22 P CB 0.441 32.004 31.700 -0.230 0.000 0.898 23 I N 2.783 123.203 120.570 -0.249 0.000 2.436 23 I HA 0.117 4.287 4.170 -0.000 0.000 0.289 23 I C 0.741 176.755 176.117 -0.173 0.000 1.083 23 I CA 0.331 61.452 61.300 -0.298 0.000 1.372 23 I CB -0.180 37.641 38.000 -0.298 0.000 1.408 23 I HN 0.340 nan 8.210 nan 0.000 0.516 24 N N 5.351 123.967 118.700 -0.139 0.000 2.371 24 N HA 0.314 5.054 4.740 -0.000 0.000 0.291 24 N C 0.359 175.834 175.510 -0.058 0.000 1.053 24 N CA -0.300 52.694 53.050 -0.093 0.000 0.870 24 N CB 2.177 40.603 38.487 -0.101 0.000 1.503 24 N HN 0.592 nan 8.380 nan 0.000 0.485 25 A N 4.111 126.905 122.820 -0.043 0.000 1.917 25 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 25 A C 2.007 179.587 177.584 -0.007 0.000 1.182 25 A CA 1.305 53.327 52.037 -0.025 0.000 0.633 25 A CB -0.517 18.469 19.000 -0.024 0.000 0.819 25 A HN 0.726 nan 8.150 nan 0.000 0.448 26 L N 0.149 121.368 121.223 -0.006 0.000 2.027 26 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 26 L C 3.012 179.936 176.870 0.090 0.000 1.074 26 L CA 1.721 56.573 54.840 0.020 0.000 0.745 26 L CB -0.695 41.355 42.059 -0.015 0.000 0.898 26 L HN 0.604 nan 8.230 nan 0.000 0.433 27 S N -0.967 114.761 115.700 0.046 0.000 2.406 27 S HA -0.139 4.331 4.470 -0.000 0.000 0.228 27 S C 1.585 176.206 174.600 0.035 0.000 1.020 27 S CA 1.136 59.363 58.200 0.045 0.000 0.965 27 S CB -0.709 62.500 63.200 0.015 0.000 0.798 27 S HN 0.450 nan 8.310 nan 0.000 0.488 28 N N 1.891 120.606 118.700 0.026 0.000 2.166 28 N HA -0.104 4.635 4.740 -0.000 0.000 0.186 28 N C 1.891 177.420 175.510 0.031 0.000 1.019 28 N CA 1.321 54.391 53.050 0.033 0.000 0.856 28 N CB -0.223 38.274 38.487 0.016 0.000 0.993 28 N HN 0.692 nan 8.380 nan 0.000 0.426 29 S N 0.572 116.293 115.700 0.036 0.000 2.447 29 S HA -0.085 4.385 4.470 -0.000 0.000 0.233 29 S C 1.793 176.430 174.600 0.061 0.000 1.006 29 S CA 0.526 58.739 58.200 0.022 0.000 0.957 29 S CB -0.125 63.091 63.200 0.027 0.000 0.773 29 S HN 0.246 nan 8.310 nan 0.000 0.507 30 L N 0.178 121.451 121.223 0.084 0.000 2.221 30 L HA 0.557 4.897 4.340 -0.000 0.000 0.202 30 L C 0.313 177.237 176.870 0.091 0.000 1.074 30 L CA 0.972 55.868 54.840 0.093 0.000 0.795 30 L CB 0.070 41.899 42.059 -0.383 0.000 0.960 30 L HN 0.518 nan 8.230 nan 0.000 0.458 31 L N -0.651 120.591 121.223 0.032 0.000 2.528 31 L HA 0.376 4.716 4.340 -0.000 0.000 0.267 31 L C 0.566 177.455 176.870 0.032 0.000 0.961 31 L CA -0.460 54.390 54.840 0.018 0.000 0.866 31 L CB 1.338 43.412 42.059 0.024 0.000 1.248 31 L HN 0.007 nan 8.230 nan 0.000 0.404 32 R N 1.502 121.984 120.500 -0.029 0.000 2.075 32 R HA 0.050 4.390 4.340 -0.000 0.000 0.226 32 R C 0.147 176.537 176.300 0.149 0.000 1.114 32 R CA 0.767 56.890 56.100 0.038 0.000 0.972 32 R CB -0.080 30.209 30.300 -0.018 0.000 0.869 32 R HN 0.668 nan 8.270 nan 0.000 0.437 33 H N 1.063 120.163 119.070 0.049 0.000 3.563 33 H HA -0.022 4.533 4.556 -0.000 0.000 0.219 33 H C 0.964 176.284 175.328 -0.013 0.000 1.771 33 H CA -0.405 55.628 56.048 -0.024 0.000 1.458 33 H CB -0.172 29.584 29.762 -0.010 0.000 1.796 33 H HN 0.477 nan 8.280 nan 0.000 0.652 34 H N -0.623 118.545 119.070 0.163 0.000 2.421 34 H HA -0.109 4.447 4.556 -0.000 0.000 0.298 34 H C 1.456 176.872 175.328 0.147 0.000 1.087 34 H CA 0.996 57.123 56.048 0.132 0.000 1.330 34 H CB 0.028 29.842 29.762 0.088 0.000 1.388 34 H HN 0.335 nan 8.280 nan 0.000 0.526 35 N N 0.411 118.974 118.700 -0.228 0.000 2.520 35 N HA -0.070 4.670 4.740 -0.000 0.000 0.185 35 N C 1.242 176.796 175.510 0.073 0.000 1.068 35 N CA 1.128 54.150 53.050 -0.046 0.000 0.911 35 N CB -0.077 38.316 38.487 -0.156 0.000 0.961 35 N HN 0.557 nan 8.380 nan 0.000 0.446 36 M N -0.136 119.524 119.600 0.100 0.000 2.514 36 M HA 0.056 4.536 4.480 -0.000 0.000 0.258 36 M C 0.101 176.551 176.300 0.250 0.000 1.119 36 M CA 0.334 55.727 55.300 0.154 0.000 1.111 36 M CB 0.587 33.270 32.600 0.139 0.000 1.390 36 M HN -0.255 nan 8.290 nan 0.000 0.475 37 V N 1.273 121.341 119.914 0.258 0.000 2.439 37 V HA 0.292 4.412 4.120 -0.000 0.000 0.282 37 V C -0.704 175.608 176.094 0.364 0.000 1.039 37 V CA -0.633 61.824 62.300 0.261 0.000 0.913 37 V CB 0.389 32.372 31.823 0.266 0.000 0.983 37 V HN 0.325 nan 8.190 nan 0.000 0.460 38 Y N 2.538 122.930 120.300 0.152 0.000 2.625 38 Y HA 0.913 5.463 4.550 -0.000 0.000 0.338 38 Y C -0.489 175.358 175.900 -0.089 0.000 1.123 38 Y CA -1.408 56.766 58.100 0.124 0.000 1.046 38 Y CB 1.654 40.183 38.460 0.115 0.000 1.299 38 Y HN 0.673 nan 8.280 nan 0.000 0.464 39 A N 1.475 124.257 122.820 -0.063 0.000 2.342 39 A HA 0.658 4.978 4.320 -0.000 0.000 0.323 39 A C -0.200 177.442 177.584 0.097 0.000 1.125 39 A CA -0.433 51.421 52.037 -0.306 0.000 0.785 39 A CB 0.565 19.209 19.000 -0.594 0.000 1.221 39 A HN 1.065 nan 8.150 nan 0.000 0.463 40 T N 0.351 114.970 114.554 0.108 0.000 2.918 40 T HA 0.532 4.882 4.350 -0.000 0.000 0.302 40 T C 0.471 175.234 174.700 0.105 0.000 1.045 40 T CA 0.430 62.644 62.100 0.190 0.000 1.114 40 T CB 0.605 69.594 68.868 0.200 0.000 0.965 40 T HN 1.336 nan 8.240 nan 0.000 0.540 41 T N -1.631 112.983 114.554 0.099 0.000 2.831 41 T HA 0.494 4.844 4.350 -0.000 0.000 0.287 41 T C 1.454 176.184 174.700 0.049 0.000 1.070 41 T CA -0.261 61.882 62.100 0.073 0.000 1.010 41 T CB 1.193 70.107 68.868 0.078 0.000 1.264 41 T HN 0.698 nan 8.240 nan 0.000 0.532 42 S N -0.189 115.533 115.700 0.037 0.000 2.474 42 S HA -0.089 4.381 4.470 -0.000 0.000 0.235 42 S C 1.729 176.328 174.600 -0.002 0.000 0.997 42 S CA 0.225 58.434 58.200 0.015 0.000 0.949 42 S CB -0.678 62.531 63.200 0.015 0.000 0.766 42 S HN 0.696 nan 8.310 nan 0.000 0.517 43 R N 1.563 122.069 120.500 0.009 0.000 2.293 43 R HA -0.001 4.338 4.340 -0.000 0.000 0.219 43 R C 1.709 177.999 176.300 -0.018 0.000 1.091 43 R CA 1.290 57.388 56.100 -0.003 0.000 1.004 43 R CB -0.362 29.943 30.300 0.008 0.000 0.865 43 R HN 0.721 nan 8.270 nan 0.000 0.469 44 S N -1.552 114.139 115.700 -0.014 0.000 2.629 44 S HA 0.278 4.748 4.470 -0.000 0.000 0.236 44 S C 1.616 176.188 174.600 -0.047 0.000 1.010 44 S CA 0.035 58.219 58.200 -0.027 0.000 0.981 44 S CB 1.068 64.263 63.200 -0.008 0.000 0.919 44 S HN 0.226 nan 8.310 nan 0.000 0.514 45 A N 2.141 124.925 122.820 -0.060 0.000 1.940 45 A HA 0.143 4.463 4.320 -0.000 0.000 0.219 45 A C 2.250 179.732 177.584 -0.169 0.000 1.176 45 A CA 1.714 53.690 52.037 -0.102 0.000 0.631 45 A CB -1.673 17.260 19.000 -0.111 0.000 0.814 45 A HN 0.689 nan 8.150 nan 0.000 0.446 46 G N -0.067 108.635 108.800 -0.164 0.000 2.442 46 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 46 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 46 G C 1.501 176.311 174.900 -0.150 0.000 1.141 46 G CA 1.100 46.083 45.100 -0.195 0.000 0.763 46 G HN 0.480 nan 8.290 nan 0.000 0.554 47 L N -0.435 120.730 121.223 -0.096 0.000 2.093 47 L HA 0.042 4.382 4.340 -0.000 0.000 0.208 47 L C 2.853 179.693 176.870 -0.050 0.000 1.085 47 L CA 1.056 55.859 54.840 -0.062 0.000 0.755 47 L CB -0.360 41.672 42.059 -0.046 0.000 0.904 47 L HN 0.129 nan 8.230 nan 0.000 0.435 48 R N 0.600 121.063 120.500 -0.062 0.000 2.073 48 R HA -0.119 4.221 4.340 -0.000 0.000 0.229 48 R C 2.275 178.548 176.300 -0.045 0.000 1.120 48 R CA 1.418 57.498 56.100 -0.033 0.000 0.967 48 R CB -0.309 29.972 30.300 -0.031 0.000 0.862 48 R HN 0.361 nan 8.270 nan 0.000 0.436 49 Q N 0.086 119.786 119.800 -0.166 0.000 2.061 49 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 49 Q C 1.967 177.958 176.000 -0.016 0.000 0.984 49 Q CA 1.994 57.653 55.803 -0.241 0.000 0.846 49 Q CB -0.237 28.063 28.738 -0.730 0.000 0.902 49 Q HN 0.288 nan 8.270 nan 0.000 0.421 50 K N 1.181 121.561 120.400 -0.034 0.000 2.103 50 K HA -0.213 4.106 4.320 -0.000 0.000 0.207 50 K C 2.034 178.713 176.600 0.133 0.000 1.048 50 K CA 1.370 57.689 56.287 0.055 0.000 0.930 50 K CB 0.024 32.532 32.500 0.013 0.000 0.716 50 K HN -0.017 nan 8.250 nan 0.000 0.444 51 K N 0.556 121.026 120.400 0.118 0.000 2.076 51 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 51 K C 1.787 178.579 176.600 0.320 0.000 1.051 51 K CA 1.173 57.559 56.287 0.164 0.000 0.949 51 K CB 0.210 32.771 32.500 0.102 0.000 0.726 51 K HN 0.179 nan 8.250 nan 0.000 0.443 52 V N -0.921 119.181 119.914 0.313 0.000 3.573 52 V HA 0.069 4.189 4.120 -0.000 0.000 0.270 52 V C 0.313 176.654 176.094 0.412 0.000 1.221 52 V CA 0.395 62.951 62.300 0.426 0.000 1.163 52 V CB -0.182 31.827 31.823 0.310 0.000 0.847 52 V HN 0.014 nan 8.190 nan 0.000 0.468 53 T N 4.257 119.067 114.554 0.426 0.000 2.753 53 T HA 0.707 5.057 4.350 -0.000 0.000 0.297 53 T C -0.732 174.174 174.700 0.344 0.000 0.981 53 T CA -0.026 62.278 62.100 0.340 0.000 0.956 53 T CB 0.224 69.372 68.868 0.467 0.000 0.936 53 T HN 0.636 nan 8.240 nan 0.000 0.463 54 F N -0.083 119.962 119.950 0.159 0.000 2.773 54 F HA 0.630 5.157 4.527 -0.000 0.000 0.314 54 F C -1.337 174.497 175.800 0.056 0.000 1.160 54 F CA -1.619 56.438 58.000 0.095 0.000 0.920 54 F CB 0.765 39.813 39.000 0.080 0.000 1.323 54 F HN 0.188 nan 8.300 nan 0.000 0.457 55 D N 0.973 121.524 120.400 0.253 0.000 2.264 55 D HA 0.427 5.066 4.640 -0.000 0.000 0.250 55 D C -0.853 175.566 176.300 0.199 0.000 1.113 55 D CA -0.154 53.920 54.000 0.125 0.000 0.871 55 D CB 0.986 41.843 40.800 0.094 0.000 1.167 55 D HN 0.546 nan 8.370 nan 0.000 0.447 56 R N 2.782 123.333 120.500 0.085 0.000 2.294 56 R HA 0.498 4.838 4.340 -0.000 0.000 0.319 56 R C -0.527 175.802 176.300 0.048 0.000 0.984 56 R CA -0.332 55.830 56.100 0.103 0.000 0.861 56 R CB 0.996 31.316 30.300 0.032 0.000 1.104 56 R HN 0.400 nan 8.270 nan 0.000 0.451 57 L N 3.079 124.332 121.223 0.050 0.000 2.581 57 L HA 0.335 4.675 4.340 -0.000 0.000 0.241 57 L C -0.161 176.713 176.870 0.006 0.000 1.265 57 L CA -0.417 54.434 54.840 0.019 0.000 0.954 57 L CB 0.998 43.069 42.059 0.020 0.000 1.269 57 L HN 0.529 nan 8.230 nan 0.000 0.475 58 Q N 1.544 121.341 119.800 -0.005 0.000 2.311 58 Q HA 0.363 4.702 4.340 -0.000 0.000 0.272 58 Q C -1.096 174.883 176.000 -0.035 0.000 1.012 58 Q CA -0.004 55.787 55.803 -0.019 0.000 0.891 58 Q CB 1.266 29.979 28.738 -0.042 0.000 1.201 58 Q HN 0.299 nan 8.270 nan 0.000 0.391 59 V N 6.248 126.148 119.914 -0.023 0.000 2.525 59 V HA 0.375 4.495 4.120 -0.000 0.000 0.299 59 V C -0.466 175.628 176.094 -0.001 0.000 1.034 59 V CA -0.697 61.587 62.300 -0.026 0.000 0.863 59 V CB 1.489 33.303 31.823 -0.016 0.000 0.999 59 V HN 0.734 nan 8.190 nan 0.000 0.423 60 L N 4.695 125.866 121.223 -0.087 0.000 2.334 60 L HA 0.751 5.091 4.340 -0.000 0.000 0.275 60 L C -0.241 176.630 176.870 0.003 0.000 1.036 60 L CA -0.531 54.213 54.840 -0.160 0.000 0.807 60 L CB 1.751 43.535 42.059 -0.459 0.000 1.231 60 L HN 0.770 nan 8.230 nan 0.000 0.438 61 D N -1.169 119.299 120.400 0.112 0.000 2.689 61 D HA 0.205 4.845 4.640 -0.000 0.000 0.255 61 D C 0.089 176.444 176.300 0.091 0.000 1.113 61 D CA -0.592 53.470 54.000 0.104 0.000 1.115 61 D CB 0.518 41.400 40.800 0.137 0.000 1.334 61 D HN 0.271 nan 8.370 nan 0.000 0.621 62 D N -1.297 119.102 120.400 -0.002 0.000 2.144 62 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 62 D C 1.760 178.061 176.300 0.002 0.000 0.978 62 D CA 1.174 55.150 54.000 -0.041 0.000 0.833 62 D CB -0.241 40.479 40.800 -0.133 0.000 0.961 62 D HN 0.391 nan 8.370 nan 0.000 0.470 63 H N -0.571 118.559 119.070 0.100 0.000 2.352 63 H HA -0.159 4.396 4.556 -0.000 0.000 0.299 63 H C 2.019 177.372 175.328 0.042 0.000 1.097 63 H CA 1.083 57.180 56.048 0.082 0.000 1.311 63 H CB -0.744 29.096 29.762 0.131 0.000 1.377 63 H HN 0.324 nan 8.280 nan 0.000 0.504 64 Y N 1.888 122.200 120.300 0.020 0.000 2.181 64 Y HA -0.204 4.345 4.550 -0.000 0.000 0.288 64 Y C 2.607 178.439 175.900 -0.114 0.000 1.146 64 Y CA 1.489 59.465 58.100 -0.207 0.000 1.164 64 Y CB -0.009 38.174 38.460 -0.461 0.000 0.982 64 Y HN -0.033 nan 8.280 nan 0.000 0.515 65 R N 0.030 120.599 120.500 0.116 0.000 2.092 65 R HA -0.130 4.210 4.340 -0.000 0.000 0.231 65 R C 1.742 178.021 176.300 -0.035 0.000 1.119 65 R CA 1.404 57.526 56.100 0.038 0.000 0.970 65 R CB -0.274 30.072 30.300 0.077 0.000 0.864 65 R HN 0.378 nan 8.270 nan 0.000 0.440 66 D N 0.185 120.582 120.400 -0.005 0.000 2.097 66 D HA -0.123 4.517 4.640 -0.000 0.000 0.195 66 D C 1.999 178.280 176.300 -0.033 0.000 0.989 66 D CA 1.135 55.135 54.000 -0.000 0.000 0.827 66 D CB -0.253 40.575 40.800 0.048 0.000 0.966 66 D HN -0.017 nan 8.370 nan 0.000 0.456 67 V N 1.232 121.105 119.914 -0.068 0.000 2.295 67 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 67 V C 2.499 178.518 176.094 -0.124 0.000 1.049 67 V CA 1.144 63.387 62.300 -0.095 0.000 1.024 67 V CB -0.562 31.168 31.823 -0.155 0.000 0.648 67 V HN 0.139 nan 8.190 nan 0.000 0.447 68 L N 0.573 121.653 121.223 -0.239 0.000 2.042 68 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 68 L C 2.410 179.214 176.870 -0.111 0.000 1.076 68 L CA 2.281 56.985 54.840 -0.227 0.000 0.749 68 L CB -0.893 40.969 42.059 -0.329 0.000 0.893 68 L HN 0.313 nan 8.230 nan 0.000 0.432 69 K N -0.441 119.912 120.400 -0.079 0.000 2.026 69 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 69 K C 1.950 178.532 176.600 -0.029 0.000 1.048 69 K CA 1.970 58.232 56.287 -0.042 0.000 0.929 69 K CB -0.166 32.319 32.500 -0.024 0.000 0.713 69 K HN 0.516 nan 8.250 nan 0.000 0.439 70 E N 0.213 120.401 120.200 -0.021 0.000 2.110 70 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 70 E C 2.105 178.703 176.600 -0.003 0.000 0.988 70 E CA 1.621 58.020 56.400 -0.002 0.000 0.804 70 E CB -0.092 29.617 29.700 0.015 0.000 0.745 70 E HN 0.370 nan 8.360 nan 0.000 0.458 71 M N 0.546 120.141 119.600 -0.009 0.000 2.117 71 M HA -0.171 4.309 4.480 -0.000 0.000 0.262 71 M C 2.100 178.374 176.300 -0.043 0.000 1.065 71 M CA 1.452 56.739 55.300 -0.021 0.000 1.114 71 M CB -0.124 32.462 32.600 -0.024 0.000 1.361 71 M HN -0.051 nan 8.290 nan 0.000 0.408 72 K N 0.236 120.609 120.400 -0.045 0.000 2.148 72 K HA -0.058 4.262 4.320 -0.000 0.000 0.204 72 K C 2.077 178.661 176.600 -0.026 0.000 1.050 72 K CA 1.293 57.556 56.287 -0.040 0.000 0.942 72 K CB -0.226 32.251 32.500 -0.038 0.000 0.724 72 K HN 0.291 nan 8.250 nan 0.000 0.446 73 A N 1.857 124.665 122.820 -0.020 0.000 1.933 73 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 73 A C 1.835 179.410 177.584 -0.015 0.000 1.175 73 A CA 1.425 53.454 52.037 -0.013 0.000 0.628 73 A CB -0.189 18.806 19.000 -0.007 0.000 0.814 73 A HN 0.181 nan 8.150 nan 0.000 0.444 74 K N -0.497 119.890 120.400 -0.022 0.000 2.116 74 K HA 0.080 4.400 4.320 -0.000 0.000 0.203 74 K C 2.210 178.789 176.600 -0.035 0.000 1.052 74 K CA 0.869 57.138 56.287 -0.030 0.000 0.952 74 K CB -0.224 32.251 32.500 -0.042 0.000 0.729 74 K HN 0.413 nan 8.250 nan 0.000 0.446 75 A N 1.091 123.889 122.820 -0.037 0.000 2.015 75 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 75 A C 2.035 179.613 177.584 -0.011 0.000 1.163 75 A CA 1.386 53.406 52.037 -0.028 0.000 0.646 75 A CB -0.326 18.658 19.000 -0.026 0.000 0.806 75 A HN 0.127 nan 8.150 nan 0.000 0.448 76 S N -0.243 115.451 115.700 -0.010 0.000 2.474 76 S HA -0.103 4.367 4.470 -0.000 0.000 0.235 76 S C 1.920 176.519 174.600 -0.002 0.000 0.997 76 S CA 1.604 59.803 58.200 -0.003 0.000 0.949 76 S CB -0.433 62.765 63.200 -0.003 0.000 0.766 76 S HN 0.899 nan 8.310 nan 0.000 0.517 77 T N -0.882 113.667 114.554 -0.008 0.000 3.129 77 T HA 0.235 4.585 4.350 -0.000 0.000 0.251 77 T C 0.395 175.090 174.700 -0.008 0.000 1.117 77 T CA -0.142 61.954 62.100 -0.008 0.000 1.034 77 T CB -0.193 68.669 68.868 -0.011 0.000 0.968 77 T HN 0.009 nan 8.240 nan 0.000 0.526 78 V N 1.660 121.569 119.914 -0.009 0.000 2.481 78 V HA 0.489 4.609 4.120 -0.000 0.000 0.286 78 V C -0.064 176.031 176.094 0.002 0.000 1.042 78 V CA -1.018 61.277 62.300 -0.009 0.000 0.928 78 V CB 1.606 33.419 31.823 -0.017 0.000 0.986 78 V HN 0.360 nan 8.190 nan 0.000 0.462 79 K N 3.158 123.559 120.400 0.002 0.000 2.376 79 K HA 0.802 5.122 4.320 -0.000 0.000 0.257 79 K C -0.830 175.775 176.600 0.010 0.000 0.939 79 K CA -0.408 55.885 56.287 0.010 0.000 0.809 79 K CB 1.728 34.234 32.500 0.010 0.000 1.121 79 K HN 0.853 nan 8.250 nan 0.000 0.425 80 A N 3.579 126.409 122.820 0.017 0.000 2.413 80 A HA 0.643 4.963 4.320 -0.000 0.000 0.307 80 A C -1.497 176.106 177.584 0.032 0.000 1.087 80 A CA -0.948 51.101 52.037 0.019 0.000 0.750 80 A CB 1.190 20.196 19.000 0.010 0.000 1.296 80 A HN 0.806 nan 8.150 nan 0.000 0.423 81 K N 0.944 121.366 120.400 0.038 0.000 2.340 81 K HA 0.807 5.127 4.320 -0.000 0.000 0.244 81 K C -1.162 175.471 176.600 0.053 0.000 0.973 81 K CA -0.675 55.638 56.287 0.043 0.000 0.828 81 K CB 1.402 33.922 32.500 0.033 0.000 1.226 81 K HN 0.457 nan 8.250 nan 0.000 0.437 82 L N 2.162 123.415 121.223 0.049 0.000 2.417 82 L HA 0.284 4.624 4.340 -0.000 0.000 0.268 82 L C -0.176 176.689 176.870 -0.009 0.000 1.158 82 L CA -0.818 54.044 54.840 0.036 0.000 0.819 82 L CB 0.421 42.498 42.059 0.030 0.000 1.112 82 L HN 0.431 nan 8.230 nan 0.000 0.458 83 L N 1.675 122.877 121.223 -0.035 0.000 2.357 83 L HA 0.327 4.667 4.340 -0.000 0.000 0.273 83 L C 0.621 177.402 176.870 -0.148 0.000 1.080 83 L CA -0.447 54.353 54.840 -0.065 0.000 0.803 83 L CB 1.647 43.671 42.059 -0.058 0.000 1.174 83 L HN 0.726 nan 8.230 nan 0.000 0.443 84 S N 0.806 116.426 115.700 -0.132 0.000 2.614 84 S HA 0.172 4.642 4.470 -0.000 0.000 0.265 84 S C 1.104 175.585 174.600 -0.197 0.000 1.303 84 S CA -0.922 57.181 58.200 -0.160 0.000 1.000 84 S CB 1.538 64.674 63.200 -0.106 0.000 0.935 84 S HN 0.337 nan 8.310 nan 0.000 0.551 85 V N 1.826 121.602 119.914 -0.231 0.000 2.392 85 V HA -0.185 3.935 4.120 -0.000 0.000 0.249 85 V C 2.502 178.488 176.094 -0.179 0.000 1.059 85 V CA 2.390 64.535 62.300 -0.257 0.000 1.051 85 V CB -1.407 30.214 31.823 -0.336 0.000 0.658 85 V HN 0.878 nan 8.190 nan 0.000 0.455 86 E N 0.234 120.352 120.200 -0.138 0.000 2.077 86 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 86 E C 2.163 178.697 176.600 -0.109 0.000 0.989 86 E CA 1.408 57.744 56.400 -0.107 0.000 0.800 86 E CB -0.310 29.342 29.700 -0.080 0.000 0.746 86 E HN 0.672 nan 8.360 nan 0.000 0.452 87 E N 0.434 120.564 120.200 -0.116 0.000 2.077 87 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 87 E C 2.067 178.568 176.600 -0.165 0.000 0.989 87 E CA 0.977 57.301 56.400 -0.127 0.000 0.800 87 E CB -0.169 29.462 29.700 -0.115 0.000 0.746 87 E HN 0.293 nan 8.360 nan 0.000 0.452 88 A N 0.700 123.422 122.820 -0.165 0.000 1.930 88 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 88 A C 2.394 179.893 177.584 -0.141 0.000 1.175 88 A CA 0.985 52.922 52.037 -0.168 0.000 0.627 88 A CB -0.744 18.171 19.000 -0.142 0.000 0.815 88 A HN 0.349 nan 8.150 nan 0.000 0.443 89 C N -0.386 118.839 119.300 -0.124 0.000 2.425 89 C HA -0.076 4.384 4.460 -0.000 0.000 0.277 89 C C 2.563 177.493 174.990 -0.099 0.000 1.280 89 C CA 1.330 60.287 59.018 -0.102 0.000 1.744 89 C CB -1.068 26.612 27.740 -0.100 0.000 1.989 89 C HN 0.597 nan 8.230 nan 0.000 0.491 90 K N 0.452 120.793 120.400 -0.098 0.000 2.365 90 K HA 0.053 4.373 4.320 -0.000 0.000 0.199 90 K C 1.391 177.961 176.600 -0.048 0.000 1.045 90 K CA 0.749 56.994 56.287 -0.069 0.000 0.962 90 K CB -0.092 32.370 32.500 -0.063 0.000 0.759 90 K HN 0.519 nan 8.250 nan 0.000 0.469 91 L N 0.681 121.837 121.223 -0.112 0.000 2.592 91 L HA 0.032 4.372 4.340 -0.000 0.000 0.227 91 L C 0.221 177.040 176.870 -0.085 0.000 1.127 91 L CA 0.141 54.903 54.840 -0.130 0.000 0.884 91 L CB 0.170 42.037 42.059 -0.321 0.000 1.065 91 L HN -0.026 nan 8.230 nan 0.000 0.457 92 T N 1.899 116.397 114.554 -0.093 0.000 2.761 92 T HA 0.206 4.556 4.350 -0.000 0.000 0.296 92 T C -2.312 172.269 174.700 -0.197 0.000 0.934 92 T CA -1.138 60.896 62.100 -0.110 0.000 1.091 92 T CB 0.946 69.756 68.868 -0.096 0.000 0.896 92 T HN -0.142 nan 8.240 nan 0.000 0.515 93 P HA 0.097 nan 4.420 nan 0.000 0.265 93 P C -1.846 175.201 177.300 -0.421 0.000 1.193 93 P CA -1.217 61.664 63.100 -0.365 0.000 0.765 93 P CB 0.202 31.821 31.700 -0.136 0.000 0.823 94 P HA -0.165 nan 4.420 nan 0.000 0.217 94 P C 0.268 177.239 177.300 -0.548 0.000 1.148 94 P CA 1.707 64.484 63.100 -0.538 0.000 0.828 94 P CB -0.131 31.237 31.700 -0.553 0.000 0.783 95 H N -2.450 116.510 119.070 -0.184 0.000 2.469 95 H HA 0.294 4.850 4.556 -0.000 0.000 0.286 95 H C 0.449 175.707 175.328 -0.115 0.000 1.106 95 H CA -0.303 55.674 56.048 -0.119 0.000 1.055 95 H CB -0.167 29.542 29.762 -0.087 0.000 1.618 95 H HN -0.033 nan 8.280 nan 0.000 0.559 96 S N 1.094 116.746 115.700 -0.081 0.000 2.573 96 S HA 0.351 4.821 4.470 -0.000 0.000 0.277 96 S C 0.736 175.289 174.600 -0.078 0.000 1.346 96 S CA -0.497 57.650 58.200 -0.089 0.000 1.034 96 S CB 0.240 63.381 63.200 -0.099 0.000 0.879 96 S HN 0.536 nan 8.310 nan 0.000 0.528 97 A N 4.356 127.114 122.820 -0.103 0.000 2.545 97 A HA 0.239 4.559 4.320 -0.000 0.000 0.253 97 A C 0.559 178.112 177.584 -0.052 0.000 1.074 97 A CA -0.143 51.853 52.037 -0.069 0.000 0.760 97 A CB -0.356 18.593 19.000 -0.085 0.000 1.005 97 A HN 0.859 nan 8.150 nan 0.000 0.506 98 K N 2.433 122.794 120.400 -0.065 0.000 2.336 98 K HA 0.285 4.605 4.320 -0.000 0.000 0.262 98 K C 0.407 176.896 176.600 -0.185 0.000 0.992 98 K CA 0.147 56.359 56.287 -0.125 0.000 0.927 98 K CB 0.379 32.809 32.500 -0.116 0.000 0.956 98 K HN 0.451 nan 8.250 nan 0.000 0.495 99 S N -0.087 115.381 115.700 -0.388 0.000 2.603 99 S HA 0.052 4.522 4.470 -0.000 0.000 0.268 99 S C 0.670 175.030 174.600 -0.401 0.000 1.317 99 S CA -0.628 57.295 58.200 -0.462 0.000 1.012 99 S CB 0.566 63.149 63.200 -1.029 0.000 0.926 99 S HN 0.767 nan 8.310 nan 0.000 0.539 100 K N 1.630 121.757 120.400 -0.455 0.000 2.444 100 K HA 0.112 4.432 4.320 -0.000 0.000 0.193 100 K C -0.180 176.050 176.600 -0.617 0.000 1.024 100 K CA 0.654 56.621 56.287 -0.534 0.000 1.077 100 K CB -0.203 31.923 32.500 -0.624 0.000 0.833 100 K HN 0.555 nan 8.250 nan 0.000 0.517 101 F N 1.494 121.338 119.950 -0.175 0.000 2.925 101 F HA 0.353 4.880 4.527 -0.000 0.000 0.302 101 F C 0.805 176.525 175.800 -0.133 0.000 1.189 101 F CA -0.390 57.560 58.000 -0.083 0.000 1.346 101 F CB 1.077 40.113 39.000 0.060 0.000 0.954 101 F HN 0.238 nan 8.300 nan 0.000 0.506 102 G N 1.002 109.778 108.800 -0.040 0.000 2.171 102 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.238 102 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.238 102 G C -0.531 174.426 174.900 0.095 0.000 1.039 102 G CA 0.168 45.284 45.100 0.027 0.000 0.759 102 G HN 0.667 nan 8.290 nan 0.000 0.501 103 Y N -3.164 117.092 120.300 -0.074 0.000 2.662 103 Y HA 0.687 5.237 4.550 -0.000 0.000 0.334 103 Y C 0.144 176.014 175.900 -0.050 0.000 1.185 103 Y CA -0.913 57.145 58.100 -0.070 0.000 1.074 103 Y CB 0.452 38.850 38.460 -0.103 0.000 1.330 103 Y HN 0.907 nan 8.280 nan 0.000 0.458 104 G N -0.004 108.854 108.800 0.097 0.000 3.015 104 G HA2 0.580 4.540 3.960 -0.000 0.000 0.281 104 G HA3 0.580 4.540 3.960 -0.000 0.000 0.281 104 G C 0.202 175.126 174.900 0.039 0.000 1.386 104 G CA -0.735 44.356 45.100 -0.015 0.000 0.959 104 G HN 1.310 nan 8.290 nan 0.000 0.522 105 A N -0.160 122.637 122.820 -0.038 0.000 1.892 105 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 105 A C 2.156 179.687 177.584 -0.088 0.000 1.188 105 A CA 2.416 54.410 52.037 -0.071 0.000 0.631 105 A CB -0.569 18.347 19.000 -0.140 0.000 0.822 105 A HN 0.627 nan 8.150 nan 0.000 0.447 106 K N -0.626 119.711 120.400 -0.105 0.000 2.032 106 K HA -0.221 4.098 4.320 -0.000 0.000 0.209 106 K C 1.408 177.974 176.600 -0.056 0.000 1.048 106 K CA 1.798 58.022 56.287 -0.107 0.000 0.927 106 K CB -0.276 32.162 32.500 -0.104 0.000 0.712 106 K HN 0.451 nan 8.250 nan 0.000 0.441 107 D N 0.308 120.703 120.400 -0.007 0.000 2.144 107 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 107 D C 2.002 178.294 176.300 -0.013 0.000 0.984 107 D CA 0.997 55.003 54.000 0.010 0.000 0.834 107 D CB -0.228 40.618 40.800 0.077 0.000 0.955 107 D HN 0.062 nan 8.370 nan 0.000 0.465 108 V N 1.215 121.140 119.914 0.017 0.000 2.295 108 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 108 V C 2.490 178.549 176.094 -0.059 0.000 1.049 108 V CA 1.578 63.870 62.300 -0.015 0.000 1.024 108 V CB -0.361 31.483 31.823 0.034 0.000 0.648 108 V HN 0.130 nan 8.190 nan 0.000 0.447 109 R N 0.318 120.774 120.500 -0.074 0.000 2.096 109 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 109 R C 1.959 178.214 176.300 -0.074 0.000 1.127 109 R CA 1.406 57.451 56.100 -0.091 0.000 0.968 109 R CB -0.373 29.850 30.300 -0.128 0.000 0.861 109 R HN 0.506 nan 8.270 nan 0.000 0.440 110 N N 0.694 119.355 118.700 -0.065 0.000 2.494 110 N HA 0.027 4.767 4.740 -0.000 0.000 0.182 110 N C 0.312 175.791 175.510 -0.052 0.000 1.076 110 N CA 0.462 53.480 53.050 -0.053 0.000 0.908 110 N CB 0.204 38.663 38.487 -0.045 0.000 0.967 110 N HN 0.137 nan 8.380 nan 0.000 0.449 111 L N 0.798 121.983 121.223 -0.062 0.000 3.598 111 L HA -0.202 4.138 4.340 -0.000 0.000 0.422 111 L C 0.011 176.844 176.870 -0.063 0.000 1.262 111 L CA -0.162 54.637 54.840 -0.069 0.000 0.889 111 L CB -2.541 39.482 42.059 -0.060 0.000 1.857 111 L HN 0.135 nan 8.230 nan 0.000 0.858 112 S N -1.080 114.582 115.700 -0.064 0.000 2.558 112 S HA 0.207 4.677 4.470 -0.000 0.000 0.288 112 S C 1.534 176.096 174.600 -0.064 0.000 1.318 112 S CA -0.030 58.138 58.200 -0.053 0.000 1.056 112 S CB 1.659 64.833 63.200 -0.044 0.000 0.853 112 S HN 0.531 nan 8.310 nan 0.000 0.505 113 S N 2.705 118.383 115.700 -0.036 0.000 2.387 113 S HA -0.262 4.207 4.470 -0.000 0.000 0.230 113 S C 1.674 176.259 174.600 -0.025 0.000 1.035 113 S CA 1.352 59.538 58.200 -0.023 0.000 1.014 113 S CB -0.632 62.564 63.200 -0.007 0.000 0.836 113 S HN 0.862 nan 8.310 nan 0.000 0.466 114 K N 1.562 121.946 120.400 -0.026 0.000 2.097 114 K HA 0.048 4.368 4.320 -0.000 0.000 0.205 114 K C 2.320 178.818 176.600 -0.170 0.000 1.050 114 K CA 1.042 57.330 56.287 0.002 0.000 0.938 114 K CB -0.552 31.960 32.500 0.021 0.000 0.718 114 K HN 0.461 nan 8.250 nan 0.000 0.442 115 A N 0.453 123.051 122.820 -0.370 0.000 1.872 115 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 115 A C 2.177 179.503 177.584 -0.429 0.000 1.187 115 A CA 1.388 52.965 52.037 -0.767 0.000 0.614 115 A CB -0.524 18.194 19.000 -0.470 0.000 0.826 115 A HN 0.150 nan 8.150 nan 0.000 0.442 116 V N 1.181 120.967 119.914 -0.214 0.000 2.407 116 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 116 V C 2.233 178.300 176.094 -0.046 0.000 1.055 116 V CA 2.027 64.239 62.300 -0.146 0.000 1.049 116 V CB -0.997 30.785 31.823 -0.069 0.000 0.662 116 V HN 0.534 nan 8.190 nan 0.000 0.455 117 N N -0.085 118.621 118.700 0.011 0.000 2.106 117 N HA -0.143 4.596 4.740 -0.000 0.000 0.188 117 N C 1.813 177.320 175.510 -0.004 0.000 1.029 117 N CA 1.596 54.675 53.050 0.048 0.000 0.848 117 N CB -0.477 38.008 38.487 -0.003 0.000 1.007 117 N HN 0.575 nan 8.380 nan 0.000 0.423 118 H N 0.803 119.799 119.070 -0.123 0.000 2.387 118 H HA 0.101 4.657 4.556 -0.000 0.000 0.299 118 H C 2.120 177.422 175.328 -0.044 0.000 1.090 118 H CA 0.916 56.910 56.048 -0.090 0.000 1.332 118 H CB -0.194 29.529 29.762 -0.064 0.000 1.386 118 H HN 0.161 nan 8.280 nan 0.000 0.516 119 I N -0.289 120.292 120.570 0.019 0.000 2.127 119 I HA -0.341 3.829 4.170 -0.000 0.000 0.241 119 I C 2.021 178.148 176.117 0.016 0.000 1.075 119 I CA 1.682 62.975 61.300 -0.012 0.000 1.334 119 I CB -0.336 37.569 38.000 -0.159 0.000 1.040 119 I HN 0.381 nan 8.210 nan 0.000 0.405 120 H N -0.722 118.365 119.070 0.029 0.000 2.352 120 H HA -0.183 4.373 4.556 -0.000 0.000 0.299 120 H C 2.570 177.956 175.328 0.097 0.000 1.097 120 H CA 1.801 57.886 56.048 0.062 0.000 1.311 120 H CB -0.017 29.746 29.762 0.002 0.000 1.377 120 H HN 0.199 nan 8.280 nan 0.000 0.504 121 S N -0.288 115.497 115.700 0.141 0.000 2.370 121 S HA -0.156 4.314 4.470 -0.000 0.000 0.226 121 S C 2.277 176.908 174.600 0.053 0.000 1.033 121 S CA 1.276 59.501 58.200 0.041 0.000 1.011 121 S CB -0.419 62.728 63.200 -0.087 0.000 0.852 121 S HN 0.200 nan 8.310 nan 0.000 0.457 122 V N 1.257 121.220 119.914 0.082 0.000 2.307 122 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 122 V C 2.028 178.201 176.094 0.132 0.000 1.045 122 V CA 1.793 64.145 62.300 0.086 0.000 1.024 122 V CB -0.866 31.030 31.823 0.123 0.000 0.651 122 V HN 0.724 nan 8.190 nan 0.000 0.449 123 W N 1.451 122.757 121.300 0.010 0.000 2.335 123 W HA -0.214 4.446 4.660 -0.000 0.000 0.311 123 W C 2.383 178.912 176.519 0.017 0.000 1.213 123 W CA 2.050 59.405 57.345 0.017 0.000 1.274 123 W CB -0.180 29.298 29.460 0.031 0.000 1.148 123 W HN 0.235 nan 8.180 nan 0.000 0.498 124 K N -0.033 120.461 120.400 0.158 0.000 2.103 124 K HA -0.247 4.073 4.320 -0.000 0.000 0.207 124 K C 1.595 178.154 176.600 -0.068 0.000 1.048 124 K CA 2.077 58.382 56.287 0.030 0.000 0.930 124 K CB -0.572 31.977 32.500 0.081 0.000 0.716 124 K HN 0.090 nan 8.250 nan 0.000 0.444 125 D N 0.803 121.173 120.400 -0.049 0.000 2.178 125 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 125 D C 1.737 177.967 176.300 -0.116 0.000 0.974 125 D CA 0.712 54.672 54.000 -0.067 0.000 0.841 125 D CB 0.113 40.886 40.800 -0.044 0.000 0.953 125 D HN 0.066 nan 8.370 nan 0.000 0.478 126 L N -0.147 120.968 121.223 -0.181 0.000 2.093 126 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 126 L C 2.330 179.033 176.870 -0.279 0.000 1.085 126 L CA 0.618 55.309 54.840 -0.248 0.000 0.755 126 L CB -0.284 41.555 42.059 -0.366 0.000 0.904 126 L HN 0.211 nan 8.230 nan 0.000 0.435 127 L N -1.062 119.964 121.223 -0.328 0.000 2.156 127 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 127 L C 2.478 179.261 176.870 -0.145 0.000 1.095 127 L CA 0.720 55.405 54.840 -0.258 0.000 0.770 127 L CB -0.396 41.508 42.059 -0.258 0.000 0.914 127 L HN 0.205 nan 8.230 nan 0.000 0.439 128 E N -0.594 119.536 120.200 -0.117 0.000 2.230 128 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 128 E C 0.079 176.639 176.600 -0.067 0.000 0.987 128 E CA 0.548 56.903 56.400 -0.075 0.000 0.841 128 E CB 0.136 29.802 29.700 -0.057 0.000 0.783 128 E HN 0.233 nan 8.360 nan 0.000 0.481 129 D N -0.134 120.219 120.400 -0.079 0.000 2.620 129 D HA 0.093 4.733 4.640 -0.000 0.000 0.252 129 D C -0.244 176.011 176.300 -0.075 0.000 1.207 129 D CA -0.268 53.694 54.000 -0.064 0.000 0.884 129 D CB 1.246 42.016 40.800 -0.051 0.000 1.262 129 D HN -0.108 nan 8.370 nan 0.000 0.552 130 T N 0.387 114.903 114.554 -0.064 0.000 3.228 130 T HA 0.292 4.641 4.350 -0.000 0.000 0.278 130 T C 0.829 175.502 174.700 -0.047 0.000 1.014 130 T CA -0.160 61.901 62.100 -0.066 0.000 0.904 130 T CB 0.131 68.963 68.868 -0.061 0.000 1.110 130 T HN 0.126 nan 8.240 nan 0.000 0.541 131 V N -0.113 119.779 119.914 -0.037 0.000 3.103 131 V HA 0.192 4.312 4.120 -0.000 0.000 0.229 131 V C 0.980 177.067 176.094 -0.012 0.000 1.304 131 V CA 0.182 62.468 62.300 -0.022 0.000 1.298 131 V CB -0.113 31.699 31.823 -0.018 0.000 1.093 131 V HN 0.456 nan 8.190 nan 0.000 0.489 132 T N 4.295 118.841 114.554 -0.013 0.000 2.792 132 T HA 0.135 4.485 4.350 -0.000 0.000 0.286 132 T C -2.424 172.278 174.700 0.004 0.000 0.970 132 T CA -0.311 61.790 62.100 0.001 0.000 1.187 132 T CB 0.341 69.209 68.868 -0.000 0.000 0.915 132 T HN 0.179 nan 8.240 nan 0.000 0.529 133 P HA 0.092 nan 4.420 nan 0.000 0.262 133 P C -0.062 177.241 177.300 0.005 0.000 1.182 133 P CA 0.063 63.178 63.100 0.024 0.000 0.761 133 P CB 0.274 32.030 31.700 0.094 0.000 0.795 134 I N 2.699 123.256 120.570 -0.022 0.000 2.428 134 I HA 0.122 4.291 4.170 -0.000 0.000 0.289 134 I C 1.045 177.148 176.117 -0.022 0.000 1.019 134 I CA -0.387 60.906 61.300 -0.012 0.000 1.351 134 I CB 0.594 38.581 38.000 -0.022 0.000 1.412 134 I HN 0.302 nan 8.210 nan 0.000 0.513 135 D N 4.309 124.709 120.400 -0.001 0.000 2.382 135 D HA 0.222 4.862 4.640 -0.000 0.000 0.240 135 D C -0.310 175.955 176.300 -0.057 0.000 1.146 135 D CA 0.295 54.279 54.000 -0.026 0.000 0.897 135 D CB 0.876 41.673 40.800 -0.006 0.000 1.197 135 D HN 0.653 nan 8.370 nan 0.000 0.432 136 T N -1.336 113.156 114.554 -0.105 0.000 2.883 136 T HA 0.591 4.941 4.350 -0.000 0.000 0.301 136 T C -0.529 174.019 174.700 -0.255 0.000 1.158 136 T CA -0.935 61.062 62.100 -0.172 0.000 1.007 136 T CB 1.433 70.223 68.868 -0.130 0.000 1.186 136 T HN 0.188 nan 8.240 nan 0.000 0.499 137 T N 2.182 116.430 114.554 -0.511 0.000 2.824 137 T HA 0.629 4.978 4.350 -0.000 0.000 0.280 137 T C -0.502 173.923 174.700 -0.460 0.000 0.995 137 T CA -0.624 61.156 62.100 -0.534 0.000 1.009 137 T CB 0.865 69.255 68.868 -0.797 0.000 0.955 137 T HN 0.735 nan 8.240 nan 0.000 0.452 138 I N 4.052 124.523 120.570 -0.165 0.000 2.404 138 I HA 0.552 4.721 4.170 -0.000 0.000 0.293 138 I C -1.065 175.079 176.117 0.045 0.000 0.992 138 I CA -0.815 60.479 61.300 -0.011 0.000 1.149 138 I CB 0.763 38.813 38.000 0.084 0.000 1.315 138 I HN 0.418 nan 8.210 nan 0.000 0.446 139 M N 6.116 125.790 119.600 0.124 0.000 2.593 139 M HA 0.516 4.996 4.480 -0.000 0.000 0.290 139 M C -0.674 175.692 176.300 0.110 0.000 1.244 139 M CA -0.615 54.765 55.300 0.133 0.000 0.857 139 M CB 1.834 34.568 32.600 0.223 0.000 1.738 139 M HN 0.579 nan 8.290 nan 0.000 0.461 140 A N 1.833 124.698 122.820 0.076 0.000 2.301 140 A HA 0.539 4.859 4.320 -0.000 0.000 0.298 140 A C -0.169 177.458 177.584 0.073 0.000 1.185 140 A CA -0.502 51.571 52.037 0.061 0.000 0.830 140 A CB 0.353 19.375 19.000 0.035 0.000 1.112 140 A HN 0.752 nan 8.150 nan 0.000 0.508 141 K N 1.789 122.235 120.400 0.075 0.000 2.270 141 K HA 0.142 4.462 4.320 -0.000 0.000 0.276 141 K C -0.635 175.992 176.600 0.045 0.000 1.023 141 K CA 0.070 56.394 56.287 0.062 0.000 0.955 141 K CB 0.633 33.175 32.500 0.070 0.000 0.975 141 K HN 0.770 nan 8.250 nan 0.000 0.471 142 N N 2.635 121.342 118.700 0.012 0.000 2.527 142 N HA 0.110 4.850 4.740 -0.000 0.000 0.236 142 N C -1.232 174.207 175.510 -0.119 0.000 0.999 142 N CA -0.322 52.711 53.050 -0.028 0.000 0.935 142 N CB 1.024 39.505 38.487 -0.010 0.000 1.132 142 N HN 0.395 nan 8.380 nan 0.000 0.511 143 E N 0.883 120.989 120.200 -0.156 0.000 2.312 143 E HA 0.456 4.806 4.350 -0.000 0.000 0.267 143 E C -0.935 175.303 176.600 -0.604 0.000 0.894 143 E CA -0.983 55.211 56.400 -0.344 0.000 0.773 143 E CB 2.580 32.140 29.700 -0.233 0.000 1.241 143 E HN 0.081 nan 8.360 nan 0.000 0.432 144 V N 2.846 122.223 119.914 -0.894 0.000 2.472 144 V HA 0.496 4.616 4.120 -0.000 0.000 0.290 144 V C -0.781 174.603 176.094 -1.183 0.000 1.037 144 V CA -0.239 61.476 62.300 -0.975 0.000 0.908 144 V CB 0.243 31.530 31.823 -0.893 0.000 0.985 144 V HN 0.521 nan 8.190 nan 0.000 0.454 145 F N 2.164 121.703 119.950 -0.686 0.000 2.726 145 F HA 0.635 5.161 4.527 -0.000 0.000 0.324 145 F C -0.018 175.519 175.800 -0.439 0.000 1.140 145 F CA -0.709 56.973 58.000 -0.529 0.000 0.964 145 F CB 1.444 40.128 39.000 -0.527 0.000 1.399 145 F HN 0.536 nan 8.300 nan 0.000 0.491 146 C N 2.611 121.966 119.300 0.092 0.000 2.382 146 C HA 0.801 5.261 4.460 -0.000 0.000 0.327 146 C C -0.106 175.069 174.990 0.308 0.000 1.250 146 C CA -0.742 58.375 59.018 0.165 0.000 1.707 146 C CB 0.081 27.883 27.740 0.102 0.000 2.272 146 C HN 0.731 nan 8.230 nan 0.000 0.506 147 V N 5.071 125.201 119.914 0.360 0.000 2.788 147 V HA 0.289 4.409 4.120 -0.000 0.000 0.307 147 V C -0.196 175.976 176.094 0.129 0.000 1.069 147 V CA 0.422 62.877 62.300 0.257 0.000 1.173 147 V CB 0.316 32.208 31.823 0.114 0.000 0.925 147 V HN 0.935 nan 8.190 nan 0.000 0.492 148 Q N 4.336 124.182 119.800 0.076 0.000 2.523 148 Q HA 0.340 4.680 4.340 -0.000 0.000 0.251 148 Q C -2.053 173.949 176.000 0.004 0.000 1.033 148 Q CA -1.695 54.128 55.803 0.033 0.000 0.746 148 Q CB 1.718 30.467 28.738 0.018 0.000 1.189 148 Q HN 0.599 nan 8.270 nan 0.000 0.508 149 P HA -0.312 nan 4.420 nan 0.000 0.216 149 P C 1.230 178.520 177.300 -0.017 0.000 1.157 149 P CA 1.452 64.544 63.100 -0.014 0.000 0.880 149 P CB 0.257 31.949 31.700 -0.013 0.000 0.791 150 E N 0.566 120.759 120.200 -0.013 0.000 2.265 150 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 150 E C 1.823 178.412 176.600 -0.019 0.000 0.996 150 E CA 1.310 57.701 56.400 -0.015 0.000 0.832 150 E CB -0.771 28.922 29.700 -0.012 0.000 0.756 150 E HN 0.312 nan 8.360 nan 0.000 0.491 151 K N 0.628 121.015 120.400 -0.021 0.000 2.296 151 K HA -0.030 4.290 4.320 -0.000 0.000 0.200 151 K C 1.029 177.610 176.600 -0.032 0.000 1.048 151 K CA 0.920 57.190 56.287 -0.028 0.000 0.966 151 K CB -0.189 32.291 32.500 -0.034 0.000 0.754 151 K HN 0.290 nan 8.250 nan 0.000 0.466 152 G N -0.189 108.591 108.800 -0.033 0.000 2.143 152 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.248 152 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.248 152 G C 0.128 175.000 174.900 -0.047 0.000 0.991 152 G CA 0.201 45.279 45.100 -0.036 0.000 0.689 152 G HN 0.769 nan 8.290 nan 0.000 0.522 153 G N -1.690 107.076 108.800 -0.057 0.000 2.377 153 G HA2 0.623 4.583 3.960 -0.000 0.000 0.297 153 G HA3 0.623 4.583 3.960 -0.000 0.000 0.297 153 G C -0.739 174.102 174.900 -0.100 0.000 1.547 153 G CA -0.295 44.758 45.100 -0.078 0.000 0.833 153 G HN 0.503 nan 8.290 nan 0.000 0.583 154 R N 0.166 120.573 120.500 -0.156 0.000 2.615 154 R HA 0.475 4.815 4.340 -0.000 0.000 0.270 154 R C 0.539 176.772 176.300 -0.110 0.000 1.081 154 R CA -0.206 55.754 56.100 -0.234 0.000 1.154 154 R CB 0.541 30.567 30.300 -0.457 0.000 1.063 154 R HN 0.425 nan 8.270 nan 0.000 0.519 155 K N 3.166 123.552 120.400 -0.023 0.000 2.322 155 K HA 0.204 4.524 4.320 -0.000 0.000 0.283 155 K C -2.179 174.416 176.600 -0.009 0.000 1.042 155 K CA -1.456 54.779 56.287 -0.087 0.000 0.958 155 K CB 0.832 33.122 32.500 -0.350 0.000 0.984 155 K HN 0.381 nan 8.250 nan 0.000 0.473 156 P HA 0.035 nan 4.420 nan 0.000 0.274 156 P C -0.975 176.347 177.300 0.036 0.000 1.231 156 P CA -0.316 62.786 63.100 0.003 0.000 0.790 156 P CB 0.813 32.504 31.700 -0.015 0.000 0.951 157 A N 3.342 126.195 122.820 0.054 0.000 2.498 157 A HA 0.108 4.428 4.320 -0.000 0.000 0.239 157 A C 0.444 178.067 177.584 0.065 0.000 1.068 157 A CA 0.102 52.185 52.037 0.077 0.000 0.766 157 A CB -0.185 18.852 19.000 0.062 0.000 1.003 157 A HN 0.466 nan 8.150 nan 0.000 0.497 158 R N 0.558 121.113 120.500 0.092 0.000 2.560 158 R HA 0.485 4.824 4.340 -0.000 0.000 0.270 158 R C -0.803 175.550 176.300 0.089 0.000 1.074 158 R CA -0.336 55.822 56.100 0.096 0.000 1.140 158 R CB 0.557 30.930 30.300 0.121 0.000 1.073 158 R HN 0.660 nan 8.270 nan 0.000 0.527 159 L N 2.961 124.243 121.223 0.097 0.000 2.307 159 L HA 0.457 4.797 4.340 -0.000 0.000 0.284 159 L C -0.442 176.519 176.870 0.151 0.000 1.023 159 L CA -0.846 54.056 54.840 0.104 0.000 0.810 159 L CB 1.434 43.538 42.059 0.074 0.000 1.231 159 L HN 0.451 nan 8.230 nan 0.000 0.423 160 I N 3.726 124.402 120.570 0.176 0.000 2.378 160 I HA 0.448 4.618 4.170 -0.000 0.000 0.291 160 I C -0.701 175.592 176.117 0.294 0.000 0.992 160 I CA -0.281 61.159 61.300 0.234 0.000 1.154 160 I CB 1.723 39.861 38.000 0.230 0.000 1.315 160 I HN 0.199 nan 8.210 nan 0.000 0.448 161 V N 8.931 129.013 119.914 0.279 0.000 2.409 161 V HA 0.591 4.711 4.120 -0.000 0.000 0.291 161 V C -0.659 175.597 176.094 0.270 0.000 1.020 161 V CA -0.491 61.922 62.300 0.189 0.000 0.848 161 V CB 1.041 32.956 31.823 0.152 0.000 0.990 161 V HN 0.611 nan 8.190 nan 0.000 0.430 162 F N 4.866 124.861 119.950 0.075 0.000 2.631 162 F HA 0.940 5.467 4.527 -0.000 0.000 0.308 162 F C -3.090 172.745 175.800 0.059 0.000 1.097 162 F CA -2.485 55.558 58.000 0.072 0.000 0.952 162 F CB 1.851 40.888 39.000 0.062 0.000 1.307 162 F HN 0.305 nan 8.300 nan 0.000 0.450 163 P HA 0.207 nan 4.420 nan 0.000 0.281 163 P C -1.152 176.264 177.300 0.192 0.000 1.281 163 P CA -0.182 62.978 63.100 0.100 0.000 0.811 163 P CB 1.419 33.191 31.700 0.119 0.000 1.154 164 D N -0.709 119.772 120.400 0.135 0.000 2.400 164 D HA -0.066 4.574 4.640 -0.000 0.000 0.238 164 D C 1.379 177.783 176.300 0.173 0.000 1.157 164 D CA -0.263 53.827 54.000 0.150 0.000 0.889 164 D CB 0.284 41.183 40.800 0.164 0.000 1.199 164 D HN 0.106 nan 8.370 nan 0.000 0.436 165 L N 3.289 124.585 121.223 0.121 0.000 2.051 165 L HA -0.040 4.300 4.340 -0.000 0.000 0.214 165 L C 2.040 179.019 176.870 0.181 0.000 1.076 165 L CA 2.605 57.510 54.840 0.107 0.000 0.758 165 L CB -1.092 40.971 42.059 0.006 0.000 0.890 165 L HN 0.662 nan 8.230 nan 0.000 0.433 166 G N -1.408 107.546 108.800 0.258 0.000 2.422 166 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 166 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 166 G C 1.491 176.518 174.900 0.211 0.000 1.146 166 G CA 1.017 46.298 45.100 0.302 0.000 0.769 166 G HN 0.371 nan 8.290 nan 0.000 0.547 167 V N 0.630 120.660 119.914 0.194 0.000 2.453 167 V HA -0.117 4.003 4.120 -0.000 0.000 0.247 167 V C 2.876 179.067 176.094 0.161 0.000 1.048 167 V CA 1.662 64.059 62.300 0.162 0.000 1.049 167 V CB -0.445 31.460 31.823 0.137 0.000 0.672 167 V HN 0.311 nan 8.190 nan 0.000 0.457 168 R N -0.157 120.439 120.500 0.159 0.000 2.081 168 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 168 R C 2.272 178.643 176.300 0.119 0.000 1.131 168 R CA 1.437 57.623 56.100 0.143 0.000 0.960 168 R CB -0.655 29.718 30.300 0.121 0.000 0.856 168 R HN 0.408 nan 8.270 nan 0.000 0.436 169 V N 0.548 120.525 119.914 0.105 0.000 2.343 169 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 169 V C 2.483 178.623 176.094 0.077 0.000 1.051 169 V CA 1.597 63.932 62.300 0.059 0.000 1.036 169 V CB -0.431 31.414 31.823 0.037 0.000 0.654 169 V HN 0.463 nan 8.190 nan 0.000 0.451 170 C N -0.328 119.066 119.300 0.156 0.000 2.425 170 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 170 C C 2.637 177.813 174.990 0.310 0.000 1.280 170 C CA 0.725 59.919 59.018 0.293 0.000 1.744 170 C CB -0.986 27.001 27.740 0.412 0.000 1.989 170 C HN 0.615 nan 8.230 nan 0.000 0.491 171 E N 0.909 121.245 120.200 0.227 0.000 2.058 171 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 171 E C 2.162 178.887 176.600 0.208 0.000 0.997 171 E CA 1.227 57.765 56.400 0.231 0.000 0.801 171 E CB -0.139 29.700 29.700 0.233 0.000 0.746 171 E HN 0.635 nan 8.360 nan 0.000 0.450 172 K N 0.341 120.835 120.400 0.157 0.000 2.032 172 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 172 K C 2.239 178.910 176.600 0.118 0.000 1.048 172 K CA 1.580 57.947 56.287 0.134 0.000 0.927 172 K CB -0.157 32.349 32.500 0.010 0.000 0.712 172 K HN 0.122 nan 8.250 nan 0.000 0.441 173 M N 0.247 119.873 119.600 0.044 0.000 2.080 173 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 173 M C 2.444 178.797 176.300 0.087 0.000 1.068 173 M CA 1.828 57.100 55.300 -0.047 0.000 1.109 173 M CB -0.394 32.006 32.600 -0.333 0.000 1.342 173 M HN 0.235 nan 8.290 nan 0.000 0.405 174 A N -0.599 122.383 122.820 0.270 0.000 2.016 174 A HA 0.080 4.399 4.320 -0.000 0.000 0.217 174 A C 1.827 179.514 177.584 0.172 0.000 1.162 174 A CA 1.071 53.305 52.037 0.329 0.000 0.662 174 A CB -0.151 19.101 19.000 0.420 0.000 0.812 174 A HN 0.500 nan 8.150 nan 0.000 0.450 175 L N -3.249 118.060 121.223 0.143 0.000 3.039 175 L HA 0.198 4.537 4.340 -0.000 0.000 0.269 175 L C 1.753 178.654 176.870 0.052 0.000 1.169 175 L CA 0.001 54.864 54.840 0.039 0.000 0.986 175 L CB 0.060 42.103 42.059 -0.027 0.000 1.377 175 L HN 0.428 nan 8.230 nan 0.000 0.575 176 Y N 1.527 121.845 120.300 0.030 0.000 2.165 176 Y HA -0.343 4.207 4.550 -0.000 0.000 0.286 176 Y C 2.212 178.147 175.900 0.059 0.000 1.155 176 Y CA 2.322 60.457 58.100 0.059 0.000 1.164 176 Y CB 0.117 38.605 38.460 0.047 0.000 0.978 176 Y HN 0.240 nan 8.280 nan 0.000 0.513 177 D N -0.772 119.675 120.400 0.078 0.000 2.144 177 D HA -0.155 4.484 4.640 -0.000 0.000 0.200 177 D C 2.155 178.401 176.300 -0.090 0.000 0.978 177 D CA 1.368 55.362 54.000 -0.009 0.000 0.833 177 D CB -0.171 40.666 40.800 0.062 0.000 0.961 177 D HN 0.270 nan 8.370 nan 0.000 0.470 178 V N 0.509 120.368 119.914 -0.093 0.000 2.237 178 V HA -0.219 3.900 4.120 -0.000 0.000 0.245 178 V C 2.733 178.715 176.094 -0.188 0.000 1.046 178 V CA 1.811 64.029 62.300 -0.137 0.000 1.007 178 V CB -0.766 30.929 31.823 -0.214 0.000 0.638 178 V HN 0.325 nan 8.190 nan 0.000 0.445 179 V N -2.097 117.678 119.914 -0.232 0.000 2.759 179 V HA -0.120 4.000 4.120 -0.000 0.000 0.256 179 V C 2.026 177.958 176.094 -0.269 0.000 1.080 179 V CA 2.176 64.334 62.300 -0.237 0.000 1.101 179 V CB -0.552 31.146 31.823 -0.207 0.000 0.698 179 V HN 0.468 nan 8.190 nan 0.000 0.477 180 S N 0.814 116.353 115.700 -0.269 0.000 2.478 180 S HA -0.018 4.452 4.470 -0.000 0.000 0.222 180 S C 1.896 176.413 174.600 -0.139 0.000 1.008 180 S CA 1.319 59.387 58.200 -0.220 0.000 0.928 180 S CB 0.060 63.075 63.200 -0.308 0.000 0.781 180 S HN 0.949 nan 8.310 nan 0.000 0.518 181 T N -0.813 113.656 114.554 -0.142 0.000 3.019 181 T HA 0.233 4.583 4.350 -0.000 0.000 0.247 181 T C 1.625 176.239 174.700 -0.143 0.000 0.992 181 T CA -0.069 61.966 62.100 -0.109 0.000 1.036 181 T CB -0.561 68.266 68.868 -0.068 0.000 1.063 181 T HN 0.133 nan 8.240 nan 0.000 0.476 182 L N 2.883 124.019 121.223 -0.144 0.000 2.012 182 L HA 0.193 4.533 4.340 -0.000 0.000 0.210 182 L C -0.958 175.761 176.870 -0.251 0.000 1.073 182 L CA 1.834 56.590 54.840 -0.140 0.000 0.748 182 L CB -1.294 40.734 42.059 -0.052 0.000 0.891 182 L HN 0.113 nan 8.230 nan 0.000 0.431 183 P HA -0.239 nan 4.420 nan 0.000 0.214 183 P C 1.571 178.388 177.300 -0.806 0.000 1.163 183 P CA 1.486 64.148 63.100 -0.730 0.000 0.889 183 P CB -0.181 30.794 31.700 -1.207 0.000 0.790 184 Q N -0.163 119.213 119.800 -0.707 0.000 2.135 184 Q HA -0.133 4.206 4.340 -0.000 0.000 0.204 184 Q C 1.948 177.817 176.000 -0.218 0.000 0.981 184 Q CA 1.597 57.205 55.803 -0.326 0.000 0.856 184 Q CB -0.625 28.048 28.738 -0.108 0.000 0.902 184 Q HN 0.096 nan 8.270 nan 0.000 0.425 185 V N -0.202 119.590 119.914 -0.203 0.000 2.379 185 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 185 V C 2.445 178.450 176.094 -0.149 0.000 1.044 185 V CA 1.290 63.508 62.300 -0.137 0.000 1.036 185 V CB -0.401 31.359 31.823 -0.104 0.000 0.664 185 V HN 0.122 nan 8.190 nan 0.000 0.453 186 V N -0.568 119.222 119.914 -0.206 0.000 2.453 186 V HA -0.153 3.967 4.120 -0.000 0.000 0.247 186 V C 2.015 177.929 176.094 -0.300 0.000 1.048 186 V CA 1.952 64.124 62.300 -0.214 0.000 1.049 186 V CB -0.447 31.238 31.823 -0.229 0.000 0.672 186 V HN 0.477 nan 8.190 nan 0.000 0.457 187 M N -0.932 118.422 119.600 -0.409 0.000 2.371 187 M HA 0.376 4.856 4.480 -0.000 0.000 0.246 187 M C 1.415 177.599 176.300 -0.193 0.000 1.103 187 M CA 0.675 55.657 55.300 -0.530 0.000 1.010 187 M CB 0.430 32.576 32.600 -0.756 0.000 1.457 187 M HN 0.441 nan 8.290 nan 0.000 0.486 188 G N 1.729 110.452 108.800 -0.128 0.000 2.596 188 G HA2 -0.387 3.572 3.960 -0.000 0.000 0.295 188 G HA3 -0.387 3.572 3.960 -0.000 0.000 0.295 188 G C 0.818 175.686 174.900 -0.053 0.000 1.240 188 G CA 0.787 45.856 45.100 -0.052 0.000 0.985 188 G HN 0.532 nan 8.290 nan 0.000 0.555 189 S N -0.745 114.941 115.700 -0.023 0.000 2.507 189 S HA 0.069 4.539 4.470 -0.000 0.000 0.235 189 S C 2.197 176.664 174.600 -0.221 0.000 0.988 189 S CA 1.904 60.035 58.200 -0.114 0.000 0.944 189 S CB -0.070 63.123 63.200 -0.011 0.000 0.762 189 S HN 0.980 nan 8.310 nan 0.000 0.526 190 S N 0.265 115.958 115.700 -0.013 0.000 2.481 190 S HA 0.109 4.579 4.470 -0.000 0.000 0.231 190 S C 0.225 174.841 174.600 0.026 0.000 0.996 190 S CA -0.027 58.223 58.200 0.083 0.000 0.942 190 S CB -0.402 62.983 63.200 0.308 0.000 0.768 190 S HN 0.697 nan 8.310 nan 0.000 0.520 191 Y N 2.776 122.952 120.300 -0.205 0.000 2.531 191 Y HA 0.452 5.002 4.550 -0.000 0.000 0.347 191 Y C 1.223 176.924 175.900 -0.332 0.000 1.024 191 Y CA -1.391 56.559 58.100 -0.249 0.000 1.306 191 Y CB 0.120 38.429 38.460 -0.252 0.000 1.149 191 Y HN 0.044 nan 8.280 nan 0.000 0.527 192 G N 4.547 112.904 108.800 -0.737 0.000 2.511 192 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.217 192 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.217 192 G C 1.070 175.473 174.900 -0.829 0.000 1.133 192 G CA 0.015 44.731 45.100 -0.640 0.000 0.792 192 G HN 0.695 nan 8.290 nan 0.000 0.539 193 F N 1.110 120.397 119.950 -1.104 0.000 2.771 193 F HA 0.050 4.577 4.527 -0.000 0.000 0.299 193 F C 2.725 178.331 175.800 -0.322 0.000 1.177 193 F CA 0.802 58.283 58.000 -0.864 0.000 1.450 193 F CB 0.242 38.694 39.000 -0.914 0.000 1.114 193 F HN 0.312 nan 8.300 nan 0.000 0.587 194 Q N -0.579 118.998 119.800 -0.371 0.000 2.360 194 Q HA 0.049 4.389 4.340 -0.000 0.000 0.202 194 Q C -0.592 175.289 176.000 -0.198 0.000 0.915 194 Q CA 0.266 55.943 55.803 -0.210 0.000 0.943 194 Q CB -0.093 28.422 28.738 -0.371 0.000 1.064 194 Q HN 0.408 nan 8.270 nan 0.000 0.511 195 Y N 1.310 121.654 120.300 0.073 0.000 2.446 195 Y HA 0.378 4.928 4.550 -0.000 0.000 0.338 195 Y C 0.494 176.304 175.900 -0.150 0.000 1.055 195 Y CA -1.181 56.904 58.100 -0.026 0.000 1.101 195 Y CB 1.694 40.088 38.460 -0.110 0.000 1.221 195 Y HN 0.072 nan 8.280 nan 0.000 0.460 196 S N 1.363 116.877 115.700 -0.310 0.000 2.669 196 S HA 0.318 4.788 4.470 -0.000 0.000 0.270 196 S C -2.190 172.084 174.600 -0.543 0.000 1.225 196 S CA -1.275 56.240 58.200 -1.141 0.000 0.991 196 S CB 1.599 64.228 63.200 -0.952 0.000 0.987 196 S HN 0.396 nan 8.310 nan 0.000 0.552 197 P HA -0.062 nan 4.420 nan 0.000 0.215 197 P C 1.772 178.982 177.300 -0.149 0.000 1.163 197 P CA 1.937 64.897 63.100 -0.233 0.000 0.894 197 P CB -0.567 31.052 31.700 -0.134 0.000 0.791 198 G N -0.466 108.224 108.800 -0.184 0.000 2.440 198 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 198 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 198 G C 1.516 176.354 174.900 -0.103 0.000 1.154 198 G CA 0.733 45.776 45.100 -0.095 0.000 0.767 198 G HN 0.340 nan 8.290 nan 0.000 0.552 199 Q N -0.605 119.113 119.800 -0.136 0.000 2.167 199 Q HA 0.022 4.362 4.340 -0.000 0.000 0.202 199 Q C 2.586 178.419 176.000 -0.277 0.000 0.970 199 Q CA 0.788 56.522 55.803 -0.116 0.000 0.855 199 Q CB -0.096 28.659 28.738 0.028 0.000 0.911 199 Q HN 0.471 nan 8.270 nan 0.000 0.438 200 R N 0.378 120.736 120.500 -0.236 0.000 2.066 200 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 200 R C 2.085 178.285 176.300 -0.165 0.000 1.131 200 R CA 1.162 57.101 56.100 -0.268 0.000 0.955 200 R CB -0.085 30.154 30.300 -0.103 0.000 0.851 200 R HN 0.089 nan 8.270 nan 0.000 0.432 201 V N 1.601 121.447 119.914 -0.112 0.000 2.343 201 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 201 V C 2.382 178.402 176.094 -0.124 0.000 1.051 201 V CA 2.251 64.493 62.300 -0.097 0.000 1.036 201 V CB -0.633 31.173 31.823 -0.028 0.000 0.654 201 V HN 0.516 nan 8.190 nan 0.000 0.451 202 E N -0.101 120.039 120.200 -0.101 0.000 2.058 202 E HA -0.295 4.054 4.350 -0.000 0.000 0.194 202 E C 2.145 178.682 176.600 -0.105 0.000 0.997 202 E CA 1.877 58.225 56.400 -0.088 0.000 0.801 202 E CB -0.292 29.376 29.700 -0.053 0.000 0.746 202 E HN 0.591 nan 8.360 nan 0.000 0.450 203 F N 1.003 120.771 119.950 -0.304 0.000 2.134 203 F HA -0.146 4.380 4.527 -0.000 0.000 0.299 203 F C 1.993 177.671 175.800 -0.203 0.000 1.097 203 F CA 1.226 59.043 58.000 -0.305 0.000 1.264 203 F CB 0.002 38.659 39.000 -0.570 0.000 1.001 203 F HN 0.014 nan 8.300 nan 0.000 0.479 204 L N -0.640 120.438 121.223 -0.242 0.000 2.017 204 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 204 L C 2.362 179.075 176.870 -0.262 0.000 1.073 204 L CA 1.083 55.762 54.840 -0.268 0.000 0.745 204 L CB -0.867 41.083 42.059 -0.181 0.000 0.894 204 L HN 0.016 nan 8.230 nan 0.000 0.432 205 V N 0.168 119.909 119.914 -0.288 0.000 2.295 205 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 205 V C 2.048 178.026 176.094 -0.193 0.000 1.049 205 V CA 2.222 64.328 62.300 -0.324 0.000 1.024 205 V CB -0.795 30.699 31.823 -0.549 0.000 0.648 205 V HN 0.503 nan 8.190 nan 0.000 0.447 206 N N -0.361 118.217 118.700 -0.204 0.000 2.120 206 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 206 N C 1.825 177.221 175.510 -0.190 0.000 1.024 206 N CA 1.778 54.731 53.050 -0.161 0.000 0.852 206 N CB -0.225 38.178 38.487 -0.141 0.000 1.003 206 N HN 0.449 nan 8.380 nan 0.000 0.424 207 T N 0.378 114.735 114.554 -0.327 0.000 2.708 207 T HA -0.189 4.161 4.350 -0.000 0.000 0.266 207 T C 1.338 175.948 174.700 -0.150 0.000 1.037 207 T CA 0.802 62.702 62.100 -0.334 0.000 1.146 207 T CB -0.340 68.183 68.868 -0.575 0.000 0.865 207 T HN 0.444 nan 8.240 nan 0.000 0.435 208 W N 2.292 123.428 121.300 -0.275 0.000 2.355 208 W HA -0.100 4.560 4.660 -0.000 0.000 0.309 208 W C 1.842 178.271 176.519 -0.150 0.000 1.206 208 W CA 1.212 58.438 57.345 -0.198 0.000 1.284 208 W CB -0.182 29.155 29.460 -0.206 0.000 1.145 208 W HN 0.255 nan 8.180 nan 0.000 0.502 209 K N 0.265 120.676 120.400 0.018 0.000 2.283 209 K HA -0.127 4.193 4.320 -0.000 0.000 0.202 209 K C 2.069 178.609 176.600 -0.100 0.000 1.048 209 K CA 1.575 57.839 56.287 -0.038 0.000 0.948 209 K CB -0.324 32.172 32.500 -0.008 0.000 0.742 209 K HN 0.073 nan 8.250 nan 0.000 0.458 210 S N 0.582 116.210 115.700 -0.120 0.000 2.555 210 S HA 0.004 4.474 4.470 -0.000 0.000 0.230 210 S C 0.520 175.037 174.600 -0.138 0.000 0.978 210 S CA 0.272 58.404 58.200 -0.113 0.000 0.934 210 S CB 0.035 63.171 63.200 -0.107 0.000 0.766 210 S HN -0.022 nan 8.310 nan 0.000 0.533 211 K N 1.606 121.881 120.400 -0.209 0.000 2.110 211 K HA 0.341 4.661 4.320 -0.000 0.000 0.263 211 K C 0.710 177.186 176.600 -0.206 0.000 0.975 211 K CA -0.503 55.647 56.287 -0.229 0.000 0.895 211 K CB 1.506 33.800 32.500 -0.343 0.000 1.060 211 K HN 0.139 nan 8.250 nan 0.000 0.448 212 K N 1.278 121.586 120.400 -0.153 0.000 2.031 212 K HA -0.020 4.300 4.320 -0.000 0.000 0.205 212 K C -0.131 176.390 176.600 -0.132 0.000 1.049 212 K CA 1.113 57.330 56.287 -0.116 0.000 0.939 212 K CB 0.303 32.755 32.500 -0.081 0.000 0.717 212 K HN 0.410 nan 8.250 nan 0.000 0.438 213 N N 2.040 120.651 118.700 -0.148 0.000 2.804 213 N HA 0.229 4.969 4.740 -0.000 0.000 0.251 213 N C -2.826 172.560 175.510 -0.208 0.000 1.250 213 N CA -1.259 51.711 53.050 -0.133 0.000 0.820 213 N CB 1.718 40.163 38.487 -0.070 0.000 1.156 213 N HN 0.185 nan 8.380 nan 0.000 0.512 214 P HA 0.099 nan 4.420 nan 0.000 0.268 214 P C -0.235 176.727 177.300 -0.563 0.000 1.204 214 P CA -0.144 62.481 63.100 -0.791 0.000 0.768 214 P CB 1.162 31.789 31.700 -1.787 0.000 0.842 215 M N 2.456 121.802 119.600 -0.424 0.000 2.421 215 M HA 0.639 5.119 4.480 -0.000 0.000 0.287 215 M C -1.354 174.946 176.300 -0.000 0.000 1.183 215 M CA -0.280 54.922 55.300 -0.163 0.000 0.916 215 M CB 2.500 35.051 32.600 -0.083 0.000 1.701 215 M HN 0.590 nan 8.290 nan 0.000 0.470 216 G N 3.602 112.496 108.800 0.157 0.000 2.690 216 G HA2 0.849 4.809 3.960 -0.000 0.000 0.293 216 G HA3 0.849 4.809 3.960 -0.000 0.000 0.293 216 G C -2.077 172.929 174.900 0.177 0.000 1.399 216 G CA -0.621 44.593 45.100 0.190 0.000 0.890 216 G HN 0.867 nan 8.290 nan 0.000 0.485 217 F N -0.523 119.391 119.950 -0.060 0.000 2.688 217 F HA 0.754 5.280 4.527 -0.000 0.000 0.308 217 F C -0.324 175.453 175.800 -0.038 0.000 1.117 217 F CA -1.414 56.543 58.000 -0.072 0.000 0.976 217 F CB 1.154 40.090 39.000 -0.106 0.000 1.291 217 F HN 0.656 nan 8.300 nan 0.000 0.439 218 S N 1.488 117.239 115.700 0.085 0.000 2.578 218 S HA 0.643 5.113 4.470 -0.000 0.000 0.283 218 S C -1.516 173.236 174.600 0.253 0.000 1.195 218 S CA -0.593 57.638 58.200 0.051 0.000 1.050 218 S CB 1.685 64.905 63.200 0.033 0.000 1.012 218 S HN 0.876 nan 8.310 nan 0.000 0.511 219 Y N 1.441 121.816 120.300 0.124 0.000 2.338 219 Y HA 0.427 4.977 4.550 -0.000 0.000 0.328 219 Y C -0.973 175.038 175.900 0.185 0.000 0.965 219 Y CA -0.907 57.340 58.100 0.245 0.000 1.208 219 Y CB 1.269 39.975 38.460 0.409 0.000 1.132 219 Y HN 0.871 nan 8.280 nan 0.000 0.469 220 D N 4.371 124.606 120.400 -0.275 0.000 2.359 220 D HA 0.224 4.863 4.640 -0.000 0.000 0.230 220 D C -0.720 175.414 176.300 -0.277 0.000 1.118 220 D CA -0.047 53.852 54.000 -0.167 0.000 0.844 220 D CB 0.980 41.718 40.800 -0.104 0.000 1.059 220 D HN 0.455 nan 8.370 nan 0.000 0.493 221 T N 3.761 118.323 114.554 0.015 0.000 2.832 221 T HA 0.156 4.506 4.350 -0.000 0.000 0.296 221 T C 0.382 175.164 174.700 0.137 0.000 0.968 221 T CA -0.498 61.698 62.100 0.161 0.000 1.107 221 T CB 0.708 69.900 68.868 0.540 0.000 0.916 221 T HN 0.327 nan 8.240 nan 0.000 0.517 222 R N 2.177 122.719 120.500 0.069 0.000 2.370 222 R HA 0.152 4.492 4.340 -0.000 0.000 0.309 222 R C -0.113 176.271 176.300 0.139 0.000 1.059 222 R CA -0.273 55.857 56.100 0.050 0.000 0.981 222 R CB -0.523 29.749 30.300 -0.047 0.000 0.972 222 R HN 0.935 nan 8.270 nan 0.000 0.437 223 C N 5.660 125.074 119.300 0.190 0.000 3.563 223 C HA -0.170 4.290 4.460 -0.000 0.000 0.284 223 C C 1.396 176.591 174.990 0.341 0.000 1.356 223 C CA 0.212 59.399 59.018 0.282 0.000 2.166 223 C CB -3.077 24.882 27.740 0.365 0.000 1.399 223 C HN 1.045 nan 8.230 nan 0.000 0.583 224 F N 1.988 122.052 119.950 0.190 0.000 2.063 224 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 224 F C 1.986 177.898 175.800 0.187 0.000 1.105 224 F CA 2.553 60.667 58.000 0.190 0.000 1.215 224 F CB -0.058 39.042 39.000 0.166 0.000 0.972 224 F HN 0.455 nan 8.300 nan 0.000 0.483 225 D N -0.381 120.260 120.400 0.403 0.000 2.149 225 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 225 D C 2.443 178.808 176.300 0.107 0.000 1.001 225 D CA 1.770 55.928 54.000 0.263 0.000 0.849 225 D CB -0.541 40.423 40.800 0.274 0.000 0.939 225 D HN 0.275 nan 8.370 nan 0.000 0.449 226 S N -0.704 115.089 115.700 0.155 0.000 2.428 226 S HA -0.099 4.371 4.470 -0.000 0.000 0.230 226 S C 2.027 176.590 174.600 -0.062 0.000 1.014 226 S CA 1.356 59.569 58.200 0.022 0.000 0.957 226 S CB -0.196 63.078 63.200 0.125 0.000 0.784 226 S HN 0.538 nan 8.310 nan 0.000 0.499 227 T N -0.354 114.243 114.554 0.071 0.000 3.067 227 T HA 0.118 4.468 4.350 -0.000 0.000 0.261 227 T C 0.616 175.235 174.700 -0.136 0.000 1.110 227 T CA 0.055 62.180 62.100 0.042 0.000 1.113 227 T CB -0.425 68.450 68.868 0.012 0.000 0.917 227 T HN 0.040 nan 8.240 nan 0.000 0.499 228 V N 4.197 123.984 119.914 -0.213 0.000 2.446 228 V HA 0.281 4.401 4.120 -0.000 0.000 0.276 228 V C 1.213 177.243 176.094 -0.108 0.000 1.030 228 V CA -0.233 61.962 62.300 -0.175 0.000 1.033 228 V CB -0.162 31.593 31.823 -0.114 0.000 0.993 228 V HN 0.718 nan 8.190 nan 0.000 0.477 229 T N 1.439 115.946 114.554 -0.079 0.000 2.847 229 T HA 0.309 4.659 4.350 -0.000 0.000 0.279 229 T C 0.982 175.656 174.700 -0.043 0.000 0.984 229 T CA -0.552 61.508 62.100 -0.067 0.000 0.988 229 T CB 1.244 70.080 68.868 -0.053 0.000 1.040 229 T HN 0.572 nan 8.240 nan 0.000 0.528 230 E N 0.463 120.638 120.200 -0.041 0.000 2.110 230 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 230 E C 2.038 178.635 176.600 -0.004 0.000 0.988 230 E CA 1.237 57.626 56.400 -0.017 0.000 0.804 230 E CB -0.363 29.327 29.700 -0.017 0.000 0.745 230 E HN 0.729 nan 8.360 nan 0.000 0.458 231 N N 0.442 119.134 118.700 -0.013 0.000 2.188 231 N HA -0.145 4.595 4.740 -0.000 0.000 0.184 231 N C 1.037 176.555 175.510 0.013 0.000 1.018 231 N CA 1.275 54.322 53.050 -0.005 0.000 0.858 231 N CB 0.018 38.492 38.487 -0.023 0.000 0.989 231 N HN 0.055 nan 8.380 nan 0.000 0.426 232 D N 0.070 120.476 120.400 0.010 0.000 2.097 232 D HA -0.104 4.535 4.640 -0.000 0.000 0.195 232 D C 1.868 178.182 176.300 0.022 0.000 0.989 232 D CA 0.910 54.931 54.000 0.034 0.000 0.827 232 D CB -0.214 40.598 40.800 0.019 0.000 0.966 232 D HN 0.406 nan 8.370 nan 0.000 0.456 233 I N 0.378 120.961 120.570 0.022 0.000 2.493 233 I HA -0.165 4.005 4.170 -0.000 0.000 0.254 233 I C 2.384 178.523 176.117 0.036 0.000 1.160 233 I CA 0.796 62.119 61.300 0.039 0.000 1.445 233 I CB -0.016 38.027 38.000 0.072 0.000 1.086 233 I HN -0.124 nan 8.210 nan 0.000 0.433 234 R N -0.210 120.306 120.500 0.026 0.000 2.119 234 R HA -0.018 4.322 4.340 -0.000 0.000 0.222 234 R C 2.287 178.580 176.300 -0.011 0.000 1.088 234 R CA 0.682 56.794 56.100 0.020 0.000 0.984 234 R CB -0.112 30.200 30.300 0.019 0.000 0.884 234 R HN 0.165 nan 8.270 nan 0.000 0.447 235 V N 1.037 120.943 119.914 -0.013 0.000 2.427 235 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 235 V C 1.971 177.992 176.094 -0.121 0.000 1.051 235 V CA 1.671 63.953 62.300 -0.030 0.000 1.048 235 V CB -0.276 31.566 31.823 0.032 0.000 0.666 235 V HN 0.320 nan 8.190 nan 0.000 0.456 236 E N -0.288 119.816 120.200 -0.159 0.000 2.058 236 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 236 E C 2.344 178.565 176.600 -0.632 0.000 0.997 236 E CA 1.549 57.721 56.400 -0.380 0.000 0.801 236 E CB -0.119 29.409 29.700 -0.288 0.000 0.746 236 E HN 0.612 nan 8.360 nan 0.000 0.450 237 E N 0.282 120.313 120.200 -0.283 0.000 2.110 237 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 237 E C 2.076 178.629 176.600 -0.078 0.000 0.988 237 E CA 1.454 57.800 56.400 -0.089 0.000 0.804 237 E CB 0.003 29.759 29.700 0.092 0.000 0.745 237 E HN 0.217 nan 8.360 nan 0.000 0.458 238 S N 0.169 115.816 115.700 -0.089 0.000 2.419 238 S HA -0.114 4.356 4.470 -0.000 0.000 0.233 238 S C 2.006 176.561 174.600 -0.075 0.000 1.016 238 S CA 0.775 58.945 58.200 -0.051 0.000 0.974 238 S CB -0.420 62.756 63.200 -0.040 0.000 0.786 238 S HN 0.295 nan 8.310 nan 0.000 0.492 239 I N -0.187 120.277 120.570 -0.177 0.000 2.333 239 I HA -0.079 4.091 4.170 -0.000 0.000 0.246 239 I C 2.183 178.264 176.117 -0.060 0.000 1.106 239 I CA 1.070 62.271 61.300 -0.165 0.000 1.411 239 I CB -0.404 37.440 38.000 -0.260 0.000 1.082 239 I HN 0.222 nan 8.210 nan 0.000 0.420 240 Y N 1.073 121.371 120.300 -0.004 0.000 2.181 240 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 240 Y C 2.672 178.577 175.900 0.009 0.000 1.146 240 Y CA 0.634 58.735 58.100 0.002 0.000 1.164 240 Y CB -0.956 37.519 38.460 0.025 0.000 0.982 240 Y HN 0.207 nan 8.280 nan 0.000 0.515 241 Q N -1.211 118.683 119.800 0.156 0.000 2.364 241 Q HA -0.131 4.209 4.340 -0.000 0.000 0.207 241 Q C 2.302 178.337 176.000 0.058 0.000 0.970 241 Q CA 0.920 56.779 55.803 0.094 0.000 0.888 241 Q CB -0.865 27.912 28.738 0.065 0.000 0.951 241 Q HN 0.491 nan 8.270 nan 0.000 0.469 242 C N 0.146 119.472 119.300 0.043 0.000 2.456 242 C HA -0.013 4.447 4.460 -0.000 0.000 0.279 242 C C 1.557 176.564 174.990 0.028 0.000 1.427 242 C CA -0.719 58.312 59.018 0.023 0.000 1.778 242 C CB -0.794 26.948 27.740 0.004 0.000 1.842 242 C HN 0.401 nan 8.230 nan 0.000 0.531 243 C N 1.294 120.622 119.300 0.046 0.000 2.639 243 C HA 0.165 4.625 4.460 -0.000 0.000 0.360 243 C C 0.574 175.585 174.990 0.035 0.000 1.351 243 C CA -0.198 58.843 59.018 0.039 0.000 2.408 243 C CB -0.002 27.769 27.740 0.051 0.000 2.517 243 C HN 0.474 nan 8.230 nan 0.000 0.696 244 D N 1.589 122.006 120.400 0.027 0.000 2.393 244 D HA 0.454 5.094 4.640 -0.000 0.000 0.232 244 D C -0.688 175.632 176.300 0.033 0.000 1.192 244 D CA 0.291 54.307 54.000 0.026 0.000 0.882 244 D CB -0.126 40.686 40.800 0.019 0.000 1.038 244 D HN 0.362 nan 8.370 nan 0.000 0.499 245 L N 1.852 123.099 121.223 0.040 0.000 2.323 245 L HA 0.686 5.026 4.340 -0.000 0.000 0.265 245 L C 0.472 177.373 176.870 0.052 0.000 1.012 245 L CA -1.455 53.415 54.840 0.050 0.000 0.820 245 L CB 1.788 43.884 42.059 0.061 0.000 1.334 245 L HN 0.270 nan 8.230 nan 0.000 0.427 246 A N 1.805 124.663 122.820 0.063 0.000 2.425 246 A HA 0.387 4.707 4.320 -0.000 0.000 0.249 246 A C -1.777 175.850 177.584 0.073 0.000 1.084 246 A CA -0.955 51.122 52.037 0.067 0.000 0.781 246 A CB -0.018 19.030 19.000 0.080 0.000 1.019 246 A HN 0.631 nan 8.150 nan 0.000 0.490 247 P HA -0.282 nan 4.420 nan 0.000 0.216 247 P C 1.097 178.433 177.300 0.059 0.000 1.167 247 P CA 2.237 65.368 63.100 0.052 0.000 0.914 247 P CB 0.047 31.774 31.700 0.045 0.000 0.793 248 E N -0.987 119.270 120.200 0.095 0.000 2.511 248 E HA 0.031 4.381 4.350 -0.000 0.000 0.196 248 E C 1.680 178.357 176.600 0.128 0.000 1.066 248 E CA 0.681 57.143 56.400 0.102 0.000 0.871 248 E CB -0.520 29.289 29.700 0.181 0.000 0.863 248 E HN 0.145 nan 8.360 nan 0.000 0.520 249 A N 2.163 125.076 122.820 0.155 0.000 1.874 249 A HA -0.051 4.269 4.320 -0.000 0.000 0.214 249 A C 2.238 179.872 177.584 0.084 0.000 1.189 249 A CA 0.869 53.007 52.037 0.169 0.000 0.615 249 A CB -0.249 18.839 19.000 0.147 0.000 0.830 249 A HN 0.122 nan 8.150 nan 0.000 0.443 250 R N -0.812 119.725 120.500 0.062 0.000 2.083 250 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 250 R C 2.481 178.785 176.300 0.007 0.000 1.137 250 R CA 1.761 57.887 56.100 0.043 0.000 0.951 250 R CB -0.347 29.976 30.300 0.038 0.000 0.851 250 R HN 0.620 nan 8.270 nan 0.000 0.434 251 Q N 0.810 120.594 119.800 -0.026 0.000 2.084 251 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 251 Q C 1.963 177.876 176.000 -0.146 0.000 0.978 251 Q CA 2.081 57.836 55.803 -0.080 0.000 0.844 251 Q CB -0.244 28.435 28.738 -0.099 0.000 0.898 251 Q HN 0.359 nan 8.270 nan 0.000 0.426 252 A N 0.014 122.710 122.820 -0.207 0.000 1.930 252 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 252 A C 2.109 179.615 177.584 -0.130 0.000 1.175 252 A CA 1.401 53.249 52.037 -0.314 0.000 0.627 252 A CB -0.656 18.046 19.000 -0.496 0.000 0.815 252 A HN 0.485 nan 8.150 nan 0.000 0.443 253 I N -0.562 119.995 120.570 -0.021 0.000 2.315 253 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 253 I C 2.526 178.673 176.117 0.050 0.000 1.117 253 I CA 1.731 63.068 61.300 0.060 0.000 1.404 253 I CB -0.243 37.828 38.000 0.118 0.000 1.071 253 I HN 0.396 nan 8.210 nan 0.000 0.419 254 K N 0.658 121.065 120.400 0.012 0.000 2.057 254 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 254 K C 2.355 178.930 176.600 -0.042 0.000 1.050 254 K CA 1.717 58.007 56.287 0.004 0.000 0.935 254 K CB -0.068 32.426 32.500 -0.008 0.000 0.715 254 K HN 0.086 nan 8.250 nan 0.000 0.439 255 S N 0.789 116.435 115.700 -0.090 0.000 2.348 255 S HA -0.084 4.385 4.470 -0.000 0.000 0.221 255 S C 1.961 176.461 174.600 -0.166 0.000 1.033 255 S CA 1.148 59.272 58.200 -0.127 0.000 1.010 255 S CB -0.264 62.832 63.200 -0.173 0.000 0.891 255 S HN 0.354 nan 8.310 nan 0.000 0.442 256 L N 0.689 121.781 121.223 -0.218 0.000 2.083 256 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 256 L C 2.747 179.274 176.870 -0.573 0.000 1.083 256 L CA 1.537 56.119 54.840 -0.430 0.000 0.752 256 L CB -0.988 40.793 42.059 -0.464 0.000 0.899 256 L HN 0.345 nan 8.230 nan 0.000 0.433 257 T N -1.026 113.390 114.554 -0.230 0.000 2.674 257 T HA -0.144 4.205 4.350 -0.000 0.000 0.265 257 T C 1.788 176.478 174.700 -0.018 0.000 1.039 257 T CA 1.179 63.284 62.100 0.008 0.000 1.150 257 T CB -0.079 68.885 68.868 0.159 0.000 0.864 257 T HN 0.273 nan 8.240 nan 0.000 0.427 258 E N 1.004 121.180 120.200 -0.040 0.000 2.152 258 E HA 0.023 4.373 4.350 -0.000 0.000 0.192 258 E C 2.279 178.854 176.600 -0.041 0.000 0.983 258 E CA 0.807 57.192 56.400 -0.025 0.000 0.818 258 E CB -0.095 29.591 29.700 -0.023 0.000 0.758 258 E HN 0.457 nan 8.360 nan 0.000 0.467 259 R N -0.542 119.906 120.500 -0.087 0.000 2.265 259 R HA 0.138 4.478 4.340 -0.000 0.000 0.194 259 R C 1.737 177.977 176.300 -0.100 0.000 0.931 259 R CA 0.221 56.273 56.100 -0.079 0.000 1.032 259 R CB 0.350 30.598 30.300 -0.086 0.000 0.980 259 R HN 0.032 nan 8.270 nan 0.000 0.497 260 L N -2.182 118.941 121.223 -0.167 0.000 2.691 260 L HA 0.187 4.527 4.340 -0.000 0.000 0.185 260 L C 1.250 178.115 176.870 -0.009 0.000 1.081 260 L CA 0.698 55.450 54.840 -0.146 0.000 0.865 260 L CB -0.259 41.646 42.059 -0.257 0.000 1.370 260 L HN -0.141 nan 8.230 nan 0.000 0.488 261 Y N 1.614 121.924 120.300 0.017 0.000 2.181 261 Y HA -0.093 4.457 4.550 -0.000 0.000 0.288 261 Y C 2.519 178.419 175.900 -0.001 0.000 1.146 261 Y CA 1.530 59.647 58.100 0.027 0.000 1.164 261 Y CB -1.223 37.276 38.460 0.065 0.000 0.982 261 Y HN 0.386 nan 8.280 nan 0.000 0.515 262 I N -2.458 118.192 120.570 0.135 0.000 3.001 262 I HA 0.358 4.528 4.170 -0.000 0.000 0.268 262 I C 1.036 177.151 176.117 -0.004 0.000 1.267 262 I CA 0.925 62.260 61.300 0.058 0.000 1.472 262 I CB -0.453 37.574 38.000 0.046 0.000 1.089 262 I HN 0.131 nan 8.210 nan 0.000 0.468 263 G N -0.365 108.411 108.800 -0.040 0.000 2.369 263 G HA2 0.441 4.401 3.960 -0.000 0.000 0.307 263 G HA3 0.441 4.401 3.960 -0.000 0.000 0.307 263 G C -0.734 173.993 174.900 -0.288 0.000 1.327 263 G CA -0.377 44.619 45.100 -0.173 0.000 0.963 263 G HN 0.808 nan 8.290 nan 0.000 0.590 264 G N -1.020 107.339 108.800 -0.734 0.000 2.315 264 G HA2 0.759 4.718 3.960 -0.000 0.000 0.294 264 G HA3 0.759 4.718 3.960 -0.000 0.000 0.294 264 G C -3.461 170.809 174.900 -1.050 0.000 1.300 264 G CA 0.251 44.887 45.100 -0.773 0.000 0.843 264 G HN 0.905 nan 8.290 nan 0.000 0.527 265 P HA 0.469 nan 4.420 nan 0.000 0.279 265 P C -0.577 176.638 177.300 -0.143 0.000 1.239 265 P CA -0.175 62.817 63.100 -0.180 0.000 0.789 265 P CB 1.380 33.098 31.700 0.029 0.000 0.933 266 L N 2.684 123.865 121.223 -0.071 0.000 2.307 266 L HA 0.465 4.805 4.340 -0.000 0.000 0.284 266 L C 0.470 177.348 176.870 0.013 0.000 1.023 266 L CA -0.173 54.653 54.840 -0.023 0.000 0.810 266 L CB 1.529 43.615 42.059 0.044 0.000 1.231 266 L HN 0.302 nan 8.230 nan 0.000 0.423 267 T N 1.475 116.016 114.554 -0.022 0.000 2.841 267 T HA 0.298 4.648 4.350 -0.000 0.000 0.285 267 T C -0.238 174.445 174.700 -0.029 0.000 0.991 267 T CA -0.891 61.198 62.100 -0.018 0.000 0.966 267 T CB 1.374 70.216 68.868 -0.044 0.000 0.962 267 T HN 0.642 nan 8.240 nan 0.000 0.438 268 N N 1.088 119.790 118.700 0.002 0.000 2.317 268 N HA 0.082 4.822 4.740 -0.000 0.000 0.245 268 N C 1.485 176.987 175.510 -0.014 0.000 1.294 268 N CA -0.135 52.915 53.050 0.001 0.000 0.924 268 N CB 0.186 38.683 38.487 0.017 0.000 1.186 268 N HN 0.449 nan 8.380 nan 0.000 0.495 269 S N -0.804 114.896 115.700 -0.000 0.000 2.419 269 S HA -0.160 4.310 4.470 -0.000 0.000 0.235 269 S C 1.181 175.779 174.600 -0.004 0.000 1.019 269 S CA 0.842 59.044 58.200 0.004 0.000 0.982 269 S CB -0.457 62.759 63.200 0.027 0.000 0.789 269 S HN 0.637 nan 8.310 nan 0.000 0.490 270 K N 0.726 121.126 120.400 -0.001 0.000 2.366 270 K HA 0.207 4.527 4.320 -0.000 0.000 0.198 270 K C 1.419 178.014 176.600 -0.008 0.000 1.044 270 K CA 0.486 56.772 56.287 -0.002 0.000 0.973 270 K CB -0.232 32.270 32.500 0.004 0.000 0.767 270 K HN 0.598 nan 8.250 nan 0.000 0.475 271 G N 1.357 110.149 108.800 -0.013 0.000 2.179 271 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.220 271 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.220 271 G C -0.244 174.654 174.900 -0.003 0.000 0.990 271 G CA -0.333 44.757 45.100 -0.017 0.000 0.646 271 G HN 0.304 nan 8.290 nan 0.000 0.517 272 Q N -0.014 119.790 119.800 0.007 0.000 2.312 272 Q HA 0.454 4.794 4.340 -0.000 0.000 0.236 272 Q C 0.063 176.082 176.000 0.031 0.000 0.965 272 Q CA -0.597 55.218 55.803 0.020 0.000 0.894 272 Q CB 0.755 29.507 28.738 0.024 0.000 1.225 272 Q HN 0.221 nan 8.270 nan 0.000 0.478 273 N N 0.402 119.128 118.700 0.043 0.000 2.411 273 N HA 0.052 4.792 4.740 -0.000 0.000 0.259 273 N C -0.460 175.107 175.510 0.095 0.000 1.103 273 N CA -0.087 53.000 53.050 0.061 0.000 0.954 273 N CB 0.498 39.022 38.487 0.061 0.000 1.085 273 N HN 0.566 nan 8.380 nan 0.000 0.485 274 C N 2.270 121.646 119.300 0.127 0.000 2.533 274 C HA 0.552 5.012 4.460 -0.000 0.000 0.272 274 C C 1.285 176.455 174.990 0.300 0.000 1.371 274 C CA 0.674 59.827 59.018 0.225 0.000 1.758 274 C CB -1.424 26.481 27.740 0.274 0.000 1.972 274 C HN 0.920 nan 8.230 nan 0.000 0.522 275 G N -1.472 107.429 108.800 0.168 0.000 2.334 275 G HA2 0.246 4.206 3.960 -0.000 0.000 0.249 275 G HA3 0.246 4.206 3.960 -0.000 0.000 0.249 275 G C -2.053 172.883 174.900 0.059 0.000 1.327 275 G CA -0.467 44.689 45.100 0.092 0.000 0.979 275 G HN 0.015 nan 8.290 nan 0.000 0.471 276 Y N 0.752 120.938 120.300 -0.190 0.000 2.477 276 Y HA 0.787 5.337 4.550 -0.000 0.000 0.347 276 Y C 0.139 175.895 175.900 -0.240 0.000 0.981 276 Y CA -0.861 57.139 58.100 -0.167 0.000 1.033 276 Y CB 2.038 40.414 38.460 -0.139 0.000 1.245 276 Y HN 0.700 nan 8.280 nan 0.000 0.455 277 R N 4.364 124.572 120.500 -0.488 0.000 2.514 277 R HA 0.560 4.900 4.340 -0.000 0.000 0.301 277 R C -0.811 175.251 176.300 -0.396 0.000 0.962 277 R CA -0.629 55.181 56.100 -0.483 0.000 0.882 277 R CB 1.021 31.106 30.300 -0.358 0.000 1.143 277 R HN 0.921 nan 8.270 nan 0.000 0.452 278 R N 2.951 123.210 120.500 -0.401 0.000 2.690 278 R HA 0.223 4.563 4.340 -0.000 0.000 0.419 278 R C -0.573 175.571 176.300 -0.260 0.000 1.090 278 R CA -0.315 55.654 56.100 -0.217 0.000 1.064 278 R CB 0.468 30.691 30.300 -0.129 0.000 1.391 278 R HN 0.772 nan 8.270 nan 0.000 0.586 279 C N -1.906 117.194 119.300 -0.334 0.000 3.321 279 C HA 0.621 5.081 4.460 -0.000 0.000 0.363 279 C C -0.226 174.686 174.990 -0.129 0.000 1.705 279 C CA -1.547 57.323 59.018 -0.246 0.000 1.298 279 C CB 1.234 28.768 27.740 -0.343 0.000 2.086 279 C HN 0.357 nan 8.230 nan 0.000 0.438 280 R N 1.141 121.615 120.500 -0.044 0.000 2.585 280 R HA 0.472 4.812 4.340 -0.000 0.000 0.275 280 R C -0.034 176.314 176.300 0.079 0.000 1.018 280 R CA 0.973 57.099 56.100 0.043 0.000 1.072 280 R CB -0.033 30.329 30.300 0.103 0.000 0.953 280 R HN 1.195 nan 8.270 nan 0.000 0.419 281 A N 3.488 126.370 122.820 0.102 0.000 2.289 281 A HA 0.259 4.579 4.320 -0.000 0.000 0.298 281 A C 0.944 178.622 177.584 0.156 0.000 1.208 281 A CA -0.074 52.047 52.037 0.140 0.000 0.845 281 A CB 0.704 19.793 19.000 0.147 0.000 1.125 281 A HN 1.010 nan 8.150 nan 0.000 0.517 282 S N 2.049 117.858 115.700 0.181 0.000 2.507 282 S HA 0.009 4.479 4.470 -0.000 0.000 0.235 282 S C 1.076 175.770 174.600 0.157 0.000 0.988 282 S CA 0.978 59.279 58.200 0.168 0.000 0.944 282 S CB -0.024 63.282 63.200 0.177 0.000 0.762 282 S HN 1.270 nan 8.310 nan 0.000 0.526 283 G N 1.478 110.393 108.800 0.192 0.000 4.222 283 G HA2 0.514 4.474 3.960 -0.000 0.000 0.301 283 G HA3 0.514 4.474 3.960 -0.000 0.000 0.301 283 G C -0.157 174.867 174.900 0.207 0.000 1.171 283 G CA -0.006 45.218 45.100 0.208 0.000 0.937 283 G HN 0.614 nan 8.290 nan 0.000 0.557 284 V N -2.648 117.364 119.914 0.164 0.000 3.046 284 V HA 0.589 4.709 4.120 -0.000 0.000 0.316 284 V C 1.323 177.481 176.094 0.107 0.000 1.104 284 V CA -0.967 61.441 62.300 0.180 0.000 1.006 284 V CB 1.759 33.736 31.823 0.258 0.000 1.058 284 V HN 0.051 nan 8.190 nan 0.000 0.440 285 L N 2.426 123.728 121.223 0.132 0.000 2.127 285 L HA -0.047 4.293 4.340 -0.000 0.000 0.211 285 L C 2.292 179.168 176.870 0.010 0.000 1.089 285 L CA 3.063 57.967 54.840 0.106 0.000 0.757 285 L CB -0.658 41.497 42.059 0.159 0.000 0.899 285 L HN 1.095 nan 8.230 nan 0.000 0.434 286 T N -5.957 108.524 114.554 -0.122 0.000 3.129 286 T HA 0.002 4.352 4.350 -0.000 0.000 0.251 286 T C 1.578 176.207 174.700 -0.119 0.000 1.117 286 T CA 0.719 62.701 62.100 -0.196 0.000 1.034 286 T CB -0.708 67.901 68.868 -0.432 0.000 0.968 286 T HN 0.281 nan 8.240 nan 0.000 0.526 287 T N 2.141 116.654 114.554 -0.068 0.000 2.607 287 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 287 T C 2.205 176.918 174.700 0.022 0.000 1.049 287 T CA 1.859 63.961 62.100 0.002 0.000 1.162 287 T CB -0.771 68.125 68.868 0.047 0.000 0.863 287 T HN 0.551 nan 8.240 nan 0.000 0.424 288 S N -0.176 115.509 115.700 -0.024 0.000 2.353 288 S HA -0.182 4.288 4.470 -0.000 0.000 0.222 288 S C 2.458 177.063 174.600 0.008 0.000 1.035 288 S CA 1.632 59.801 58.200 -0.052 0.000 1.025 288 S CB -1.018 62.030 63.200 -0.253 0.000 0.902 288 S HN 0.667 nan 8.310 nan 0.000 0.440 289 C N 1.238 120.517 119.300 -0.035 0.000 2.436 289 C HA 0.077 4.537 4.460 -0.000 0.000 0.277 289 C C 2.883 177.925 174.990 0.087 0.000 1.241 289 C CA 1.184 60.210 59.018 0.014 0.000 1.721 289 C CB -1.858 25.863 27.740 -0.032 0.000 2.043 289 C HN 0.727 nan 8.230 nan 0.000 0.472 290 G N 0.559 109.420 108.800 0.102 0.000 2.476 290 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 290 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 290 G C 1.510 176.501 174.900 0.152 0.000 1.164 290 G CA 1.245 46.411 45.100 0.111 0.000 0.768 290 G HN 0.608 nan 8.290 nan 0.000 0.560 291 N N 0.334 119.140 118.700 0.177 0.000 2.120 291 N HA -0.081 4.659 4.740 -0.000 0.000 0.188 291 N C 2.421 178.020 175.510 0.149 0.000 1.024 291 N CA 1.675 54.875 53.050 0.250 0.000 0.852 291 N CB -0.711 37.852 38.487 0.127 0.000 1.003 291 N HN 0.288 nan 8.380 nan 0.000 0.424 292 T N 1.518 116.152 114.554 0.133 0.000 2.777 292 T HA 0.019 4.369 4.350 -0.000 0.000 0.266 292 T C 2.152 176.952 174.700 0.167 0.000 1.040 292 T CA 0.577 62.770 62.100 0.155 0.000 1.141 292 T CB -0.233 68.799 68.868 0.273 0.000 0.868 292 T HN 0.124 nan 8.240 nan 0.000 0.444 293 L N 0.752 122.046 121.223 0.119 0.000 2.017 293 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 293 L C 2.957 179.926 176.870 0.166 0.000 1.073 293 L CA 1.279 56.167 54.840 0.080 0.000 0.745 293 L CB -1.022 41.035 42.059 -0.003 0.000 0.894 293 L HN 0.287 nan 8.230 nan 0.000 0.432 294 T N -1.397 113.276 114.554 0.199 0.000 2.746 294 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 294 T C 1.999 176.907 174.700 0.347 0.000 1.039 294 T CA 1.466 63.718 62.100 0.254 0.000 1.142 294 T CB -0.500 68.546 68.868 0.296 0.000 0.866 294 T HN 0.468 nan 8.240 nan 0.000 0.444 295 C N 0.624 120.177 119.300 0.422 0.000 2.446 295 C HA -0.055 4.405 4.460 -0.000 0.000 0.277 295 C C 2.396 177.551 174.990 0.275 0.000 1.275 295 C CA 0.387 59.638 59.018 0.388 0.000 1.727 295 C CB -1.417 26.422 27.740 0.165 0.000 2.010 295 C HN 0.645 nan 8.230 nan 0.000 0.486 296 Y N 1.158 121.528 120.300 0.117 0.000 2.145 296 Y HA -0.135 4.415 4.550 -0.000 0.000 0.286 296 Y C 2.191 178.117 175.900 0.044 0.000 1.145 296 Y CA 2.162 60.307 58.100 0.075 0.000 1.148 296 Y CB -0.605 37.885 38.460 0.050 0.000 0.981 296 Y HN 0.333 nan 8.280 nan 0.000 0.507 297 L N 1.172 122.493 121.223 0.163 0.000 1.989 297 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 297 L C 2.069 178.867 176.870 -0.120 0.000 1.071 297 L CA 2.048 56.860 54.840 -0.045 0.000 0.749 297 L CB -0.903 41.098 42.059 -0.096 0.000 0.890 297 L HN 0.180 nan 8.230 nan 0.000 0.431 298 K N -0.467 119.946 120.400 0.022 0.000 2.097 298 K HA -0.036 4.283 4.320 -0.000 0.000 0.205 298 K C 2.075 178.723 176.600 0.081 0.000 1.050 298 K CA 1.241 57.584 56.287 0.092 0.000 0.938 298 K CB -0.378 32.262 32.500 0.233 0.000 0.718 298 K HN 0.493 nan 8.250 nan 0.000 0.442 299 A N 1.082 123.926 122.820 0.039 0.000 1.898 299 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 299 A C 2.208 179.817 177.584 0.041 0.000 1.181 299 A CA 1.586 53.656 52.037 0.055 0.000 0.620 299 A CB -0.428 18.674 19.000 0.170 0.000 0.819 299 A HN 0.145 nan 8.150 nan 0.000 0.442 300 S N 0.066 115.681 115.700 -0.141 0.000 2.356 300 S HA -0.049 4.421 4.470 -0.000 0.000 0.223 300 S C 2.325 176.878 174.600 -0.079 0.000 1.032 300 S CA 1.204 59.286 58.200 -0.196 0.000 1.005 300 S CB -0.481 62.456 63.200 -0.438 0.000 0.867 300 S HN 0.787 nan 8.310 nan 0.000 0.449 301 A N 1.546 124.334 122.820 -0.053 0.000 1.902 301 A HA 0.098 4.417 4.320 -0.000 0.000 0.217 301 A C 2.332 179.973 177.584 0.095 0.000 1.181 301 A CA 1.712 53.778 52.037 0.047 0.000 0.623 301 A CB -1.025 18.004 19.000 0.049 0.000 0.818 301 A HN 0.521 nan 8.150 nan 0.000 0.443 302 A N -1.280 121.594 122.820 0.090 0.000 2.015 302 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 302 A C 2.238 179.856 177.584 0.056 0.000 1.163 302 A CA 1.510 53.472 52.037 -0.126 0.000 0.646 302 A CB -1.123 17.418 19.000 -0.766 0.000 0.806 302 A HN 0.589 nan 8.150 nan 0.000 0.448 303 C N -0.824 118.595 119.300 0.198 0.000 2.446 303 C HA -0.066 4.394 4.460 -0.000 0.000 0.277 303 C C 2.866 177.877 174.990 0.034 0.000 1.275 303 C CA 1.073 60.232 59.018 0.234 0.000 1.727 303 C CB -1.226 26.605 27.740 0.151 0.000 2.010 303 C HN 0.620 nan 8.230 nan 0.000 0.486 304 R N 1.109 121.544 120.500 -0.109 0.000 2.092 304 R HA -0.063 4.276 4.340 -0.000 0.000 0.231 304 R C 2.368 178.409 176.300 -0.431 0.000 1.119 304 R CA 1.497 57.421 56.100 -0.294 0.000 0.970 304 R CB -0.483 29.550 30.300 -0.445 0.000 0.864 304 R HN 0.533 nan 8.270 nan 0.000 0.440 305 A N 1.334 123.915 122.820 -0.398 0.000 1.933 305 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 305 A C 2.212 179.775 177.584 -0.035 0.000 1.175 305 A CA 1.637 53.574 52.037 -0.166 0.000 0.628 305 A CB -0.408 18.580 19.000 -0.020 0.000 0.814 305 A HN 0.376 nan 8.150 nan 0.000 0.444 306 A N -1.404 121.419 122.820 0.006 0.000 2.251 306 A HA 0.283 4.603 4.320 -0.000 0.000 0.209 306 A C 0.978 178.580 177.584 0.030 0.000 1.187 306 A CA 0.725 52.792 52.037 0.050 0.000 0.823 306 A CB -0.436 18.648 19.000 0.139 0.000 0.846 306 A HN 0.485 nan 8.150 nan 0.000 0.486 307 K N -0.787 119.615 120.400 0.003 0.000 3.071 307 K HA -0.159 4.160 4.320 -0.000 0.000 0.265 307 K C -0.712 175.896 176.600 0.013 0.000 1.060 307 K CA 0.419 56.708 56.287 0.003 0.000 0.767 307 K CB -1.973 30.534 32.500 0.012 0.000 1.241 307 K HN 0.556 nan 8.250 nan 0.000 0.486 308 L N 1.575 122.815 121.223 0.028 0.000 2.453 308 L HA 0.007 4.346 4.340 -0.000 0.000 0.272 308 L C 0.987 177.865 176.870 0.013 0.000 1.182 308 L CA 0.273 55.131 54.840 0.030 0.000 0.858 308 L CB 0.341 42.436 42.059 0.060 0.000 1.120 308 L HN 0.170 nan 8.230 nan 0.000 0.474 309 Q N 1.955 121.757 119.800 0.003 0.000 2.261 309 Q HA 0.096 4.436 4.340 -0.000 0.000 0.252 309 Q C -0.205 175.784 176.000 -0.019 0.000 0.915 309 Q CA -0.594 55.204 55.803 -0.008 0.000 0.915 309 Q CB 0.798 29.528 28.738 -0.013 0.000 1.204 309 Q HN 0.430 nan 8.270 nan 0.000 0.421 310 D N 1.151 121.540 120.400 -0.018 0.000 2.810 310 D HA -0.190 4.450 4.640 -0.000 0.000 0.224 310 D C -1.269 175.012 176.300 -0.032 0.000 1.222 310 D CA 0.194 54.179 54.000 -0.025 0.000 0.698 310 D CB -0.701 40.075 40.800 -0.040 0.000 0.961 310 D HN 0.515 nan 8.370 nan 0.000 0.403 311 C N 1.079 120.370 119.300 -0.016 0.000 2.601 311 C HA 0.578 5.038 4.460 -0.000 0.000 0.409 311 C C 0.809 175.794 174.990 -0.010 0.000 1.293 311 C CA -0.086 58.921 59.018 -0.019 0.000 2.101 311 C CB 0.931 28.669 27.740 -0.004 0.000 2.639 311 C HN 0.514 nan 8.230 nan 0.000 0.592 312 T N 5.245 119.786 114.554 -0.022 0.000 2.937 312 T HA 0.463 4.813 4.350 -0.000 0.000 0.297 312 T C -0.545 174.175 174.700 0.032 0.000 0.991 312 T CA -0.268 61.848 62.100 0.027 0.000 0.990 312 T CB 0.910 69.767 68.868 -0.018 0.000 0.991 312 T HN 0.545 nan 8.240 nan 0.000 0.440 313 M N 3.098 122.759 119.600 0.101 0.000 2.537 313 M HA 0.684 5.164 4.480 -0.000 0.000 0.324 313 M C -1.209 175.211 176.300 0.200 0.000 1.187 313 M CA -1.179 54.172 55.300 0.085 0.000 0.993 313 M CB 1.954 34.587 32.600 0.055 0.000 1.666 313 M HN 0.330 nan 8.290 nan 0.000 0.461 314 L N 2.715 124.021 121.223 0.137 0.000 2.404 314 L HA 0.661 5.001 4.340 -0.000 0.000 0.272 314 L C -1.526 175.362 176.870 0.030 0.000 0.980 314 L CA -0.462 54.458 54.840 0.132 0.000 0.836 314 L CB 1.788 43.953 42.059 0.175 0.000 1.238 314 L HN 0.513 nan 8.230 nan 0.000 0.408 315 V N 4.226 124.142 119.914 0.004 0.000 2.540 315 V HA 0.598 4.718 4.120 -0.000 0.000 0.302 315 V C -0.699 175.247 176.094 -0.246 0.000 1.035 315 V CA -0.633 61.644 62.300 -0.039 0.000 0.873 315 V CB 1.982 33.875 31.823 0.118 0.000 0.992 315 V HN 0.797 nan 8.190 nan 0.000 0.428 316 N N 3.388 121.898 118.700 -0.317 0.000 2.617 316 N HA 0.604 5.343 4.740 -0.000 0.000 0.263 316 N C 0.558 175.961 175.510 -0.178 0.000 1.074 316 N CA 0.483 53.149 53.050 -0.640 0.000 0.841 316 N CB 1.733 39.725 38.487 -0.824 0.000 1.221 316 N HN 1.079 nan 8.380 nan 0.000 0.529 317 G N 2.572 111.418 108.800 0.078 0.000 2.629 317 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.313 317 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.313 317 G C 0.619 175.377 174.900 -0.237 0.000 1.217 317 G CA 0.959 46.074 45.100 0.025 0.000 0.994 317 G HN 0.643 nan 8.290 nan 0.000 0.549 318 D N 1.073 121.237 120.400 -0.392 0.000 2.340 318 D HA 0.120 4.760 4.640 -0.000 0.000 0.220 318 D C 0.565 176.727 176.300 -0.229 0.000 1.039 318 D CA 0.939 54.536 54.000 -0.673 0.000 0.866 318 D CB -0.105 40.232 40.800 -0.772 0.000 0.913 318 D HN 0.465 nan 8.370 nan 0.000 0.523 319 D N 0.334 120.658 120.400 -0.127 0.000 2.264 319 D HA 0.316 4.956 4.640 -0.000 0.000 0.250 319 D C -0.954 175.328 176.300 -0.030 0.000 1.113 319 D CA -0.470 53.499 54.000 -0.051 0.000 0.871 319 D CB 1.063 41.829 40.800 -0.056 0.000 1.167 319 D HN 0.070 nan 8.370 nan 0.000 0.447 320 L N 4.663 125.905 121.223 0.033 0.000 2.431 320 L HA 0.546 4.885 4.340 -0.000 0.000 0.266 320 L C -1.883 174.980 176.870 -0.012 0.000 0.978 320 L CA -0.685 54.181 54.840 0.044 0.000 0.822 320 L CB 2.014 44.165 42.059 0.154 0.000 1.310 320 L HN 0.154 nan 8.230 nan 0.000 0.409 321 V N 5.569 125.433 119.914 -0.083 0.000 2.686 321 V HA 0.783 4.903 4.120 -0.000 0.000 0.306 321 V C -1.523 174.403 176.094 -0.280 0.000 1.065 321 V CA -0.329 61.856 62.300 -0.190 0.000 0.894 321 V CB 2.367 34.120 31.823 -0.116 0.000 1.004 321 V HN 0.619 nan 8.190 nan 0.000 0.424 322 V N 7.723 127.286 119.914 -0.585 0.000 2.540 322 V HA 0.606 4.725 4.120 -0.000 0.000 0.302 322 V C -0.326 175.529 176.094 -0.398 0.000 1.035 322 V CA -0.477 61.479 62.300 -0.574 0.000 0.873 322 V CB 1.845 33.072 31.823 -0.993 0.000 0.992 322 V HN 0.745 nan 8.190 nan 0.000 0.428 323 I N 4.817 125.280 120.570 -0.178 0.000 2.465 323 I HA 0.707 4.877 4.170 -0.000 0.000 0.291 323 I C -0.072 175.986 176.117 -0.098 0.000 1.014 323 I CA -0.318 60.938 61.300 -0.073 0.000 1.093 323 I CB 1.765 39.764 38.000 -0.002 0.000 1.267 323 I HN 0.921 nan 8.210 nan 0.000 0.431 324 C N 2.613 121.853 119.300 -0.100 0.000 3.275 324 C HA 0.568 5.028 4.460 -0.000 0.000 0.373 324 C C -0.829 174.086 174.990 -0.126 0.000 1.934 324 C CA -0.852 58.113 59.018 -0.088 0.000 1.228 324 C CB 1.829 29.557 27.740 -0.020 0.000 2.317 324 C HN 0.603 nan 8.230 nan 0.000 0.437 325 E N 1.813 121.962 120.200 -0.084 0.000 2.200 325 E HA 0.376 4.726 4.350 -0.000 0.000 0.283 325 E C -0.073 176.505 176.600 -0.036 0.000 1.015 325 E CA 0.428 56.779 56.400 -0.083 0.000 0.819 325 E CB 1.809 31.471 29.700 -0.063 0.000 1.081 325 E HN 0.699 nan 8.360 nan 0.000 0.397 326 S N 1.725 117.414 115.700 -0.019 0.000 2.576 326 S HA 0.301 4.771 4.470 -0.000 0.000 0.276 326 S C 0.398 175.013 174.600 0.025 0.000 1.339 326 S CA 0.103 58.336 58.200 0.055 0.000 1.039 326 S CB 0.588 63.874 63.200 0.144 0.000 0.902 326 S HN 0.520 nan 8.310 nan 0.000 0.516 327 A N 3.002 125.844 122.820 0.036 0.000 2.594 327 A HA 0.659 4.979 4.320 -0.000 0.000 0.287 327 A C 0.782 178.372 177.584 0.010 0.000 1.227 327 A CA 0.178 52.223 52.037 0.013 0.000 0.952 327 A CB -0.809 18.197 19.000 0.010 0.000 1.161 327 A HN 1.908 nan 8.150 nan 0.000 0.524 328 G N -0.995 107.811 108.800 0.011 0.000 2.675 328 G HA2 0.044 4.004 3.960 -0.000 0.000 0.686 328 G HA3 0.044 4.004 3.960 -0.000 0.000 0.686 328 G C 0.592 175.504 174.900 0.021 0.000 1.215 328 G CA 0.176 45.269 45.100 -0.011 0.000 0.777 328 G HN 1.171 nan 8.290 nan 0.000 0.638 329 T N -1.445 113.096 114.554 -0.022 0.000 2.708 329 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 329 T C 2.113 176.845 174.700 0.053 0.000 1.037 329 T CA 2.233 64.355 62.100 0.036 0.000 1.146 329 T CB -0.323 68.524 68.868 -0.036 0.000 0.865 329 T HN 0.815 nan 8.240 nan 0.000 0.435 330 Q N 0.853 120.663 119.800 0.017 0.000 2.084 330 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 330 Q C 2.267 178.275 176.000 0.013 0.000 0.978 330 Q CA 1.664 57.476 55.803 0.014 0.000 0.844 330 Q CB -0.101 28.639 28.738 0.002 0.000 0.898 330 Q HN 0.646 nan 8.270 nan 0.000 0.426 331 E N 0.600 120.808 120.200 0.013 0.000 2.106 331 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 331 E C 1.591 178.196 176.600 0.010 0.000 0.984 331 E CA 1.371 57.777 56.400 0.009 0.000 0.806 331 E CB -0.013 29.692 29.700 0.008 0.000 0.750 331 E HN 0.384 nan 8.360 nan 0.000 0.458 332 D N 0.185 120.604 120.400 0.032 0.000 2.117 332 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 332 D C 1.862 178.143 176.300 -0.031 0.000 0.987 332 D CA 1.440 55.452 54.000 0.020 0.000 0.829 332 D CB -0.356 40.510 40.800 0.111 0.000 0.961 332 D HN 0.202 nan 8.370 nan 0.000 0.460 333 A N 0.974 123.793 122.820 -0.001 0.000 1.902 333 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 333 A C 2.293 179.856 177.584 -0.036 0.000 1.181 333 A CA 2.242 54.265 52.037 -0.024 0.000 0.623 333 A CB -0.657 18.346 19.000 0.005 0.000 0.818 333 A HN 0.241 nan 8.150 nan 0.000 0.443 334 A N -0.796 122.012 122.820 -0.020 0.000 1.930 334 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 334 A C 2.421 179.991 177.584 -0.023 0.000 1.175 334 A CA 1.873 53.900 52.037 -0.016 0.000 0.627 334 A CB -0.770 18.226 19.000 -0.007 0.000 0.815 334 A HN 0.435 nan 8.150 nan 0.000 0.443 335 S N -0.295 115.384 115.700 -0.034 0.000 2.382 335 S HA -0.113 4.356 4.470 -0.000 0.000 0.228 335 S C 1.724 176.288 174.600 -0.060 0.000 1.027 335 S CA 1.422 59.601 58.200 -0.035 0.000 0.991 335 S CB -0.336 62.839 63.200 -0.041 0.000 0.823 335 S HN 0.371 nan 8.310 nan 0.000 0.469 336 L N 1.471 122.603 121.223 -0.151 0.000 2.141 336 L HA 0.035 4.375 4.340 -0.000 0.000 0.209 336 L C 2.344 179.193 176.870 -0.035 0.000 1.094 336 L CA 1.467 56.166 54.840 -0.235 0.000 0.763 336 L CB -0.494 41.324 42.059 -0.403 0.000 0.908 336 L HN 0.178 nan 8.230 nan 0.000 0.437 337 R N -1.627 118.862 120.500 -0.018 0.000 2.090 337 R HA -0.063 4.277 4.340 -0.000 0.000 0.228 337 R C 2.160 178.475 176.300 0.025 0.000 1.110 337 R CA 1.076 57.185 56.100 0.016 0.000 0.973 337 R CB -0.431 29.869 30.300 0.001 0.000 0.869 337 R HN 0.186 nan 8.270 nan 0.000 0.440 338 V N 0.834 120.761 119.914 0.021 0.000 2.358 338 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 338 V C 1.921 178.023 176.094 0.013 0.000 1.047 338 V CA 1.688 63.994 62.300 0.010 0.000 1.035 338 V CB -0.542 31.290 31.823 0.015 0.000 0.658 338 V HN 0.211 nan 8.190 nan 0.000 0.452 339 F N 1.469 121.361 119.950 -0.096 0.000 2.095 339 F HA -0.235 4.291 4.527 -0.000 0.000 0.298 339 F C 2.441 178.163 175.800 -0.131 0.000 1.104 339 F CA 2.350 60.285 58.000 -0.109 0.000 1.232 339 F CB -0.521 38.412 39.000 -0.113 0.000 0.987 339 F HN 0.110 nan 8.300 nan 0.000 0.475 340 T N 0.074 114.697 114.554 0.114 0.000 2.788 340 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 340 T C 1.693 176.355 174.700 -0.063 0.000 1.044 340 T CA 1.709 63.864 62.100 0.092 0.000 1.139 340 T CB -0.337 68.672 68.868 0.235 0.000 0.867 340 T HN 0.393 nan 8.240 nan 0.000 0.454 341 E N 1.054 121.206 120.200 -0.081 0.000 2.058 341 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 341 E C 2.568 179.020 176.600 -0.248 0.000 0.997 341 E CA 1.143 57.472 56.400 -0.119 0.000 0.801 341 E CB -0.245 29.402 29.700 -0.088 0.000 0.746 341 E HN 0.483 nan 8.360 nan 0.000 0.450 342 A N 1.183 123.788 122.820 -0.358 0.000 1.877 342 A HA -0.200 4.119 4.320 -0.000 0.000 0.216 342 A C 2.171 179.214 177.584 -0.901 0.000 1.186 342 A CA 1.385 53.026 52.037 -0.660 0.000 0.620 342 A CB -0.376 18.286 19.000 -0.563 0.000 0.822 342 A HN 0.126 nan 8.150 nan 0.000 0.443 343 M N -0.168 119.055 119.600 -0.628 0.000 2.106 343 M HA -0.136 4.344 4.480 -0.000 0.000 0.259 343 M C 2.200 178.394 176.300 -0.176 0.000 1.068 343 M CA 2.158 57.228 55.300 -0.382 0.000 1.100 343 M CB -2.005 30.317 32.600 -0.464 0.000 1.351 343 M HN 0.476 nan 8.290 nan 0.000 0.404 344 T N 0.098 114.560 114.554 -0.155 0.000 2.708 344 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 344 T C 1.975 176.615 174.700 -0.100 0.000 1.037 344 T CA 1.194 63.253 62.100 -0.069 0.000 1.146 344 T CB -0.211 68.627 68.868 -0.049 0.000 0.865 344 T HN 0.387 nan 8.240 nan 0.000 0.435 345 R N 0.123 120.494 120.500 -0.215 0.000 2.096 345 R HA -0.046 4.293 4.340 -0.000 0.000 0.235 345 R C 1.935 178.207 176.300 -0.046 0.000 1.127 345 R CA 1.300 57.297 56.100 -0.170 0.000 0.968 345 R CB -0.408 29.732 30.300 -0.265 0.000 0.861 345 R HN 0.576 nan 8.270 nan 0.000 0.440 346 Y N 0.173 120.425 120.300 -0.079 0.000 2.553 346 Y HA -0.005 4.545 4.550 -0.000 0.000 0.303 346 Y C 0.747 176.607 175.900 -0.068 0.000 1.194 346 Y CA -0.308 57.733 58.100 -0.099 0.000 1.305 346 Y CB 0.265 38.695 38.460 -0.049 0.000 1.045 346 Y HN 0.002 nan 8.280 nan 0.000 0.514 347 S N 0.648 116.398 115.700 0.084 0.000 3.963 347 S HA -0.104 4.366 4.470 -0.000 0.000 0.438 347 S C -0.241 174.397 174.600 0.063 0.000 0.879 347 S CA 0.280 58.517 58.200 0.063 0.000 1.262 347 S CB -1.317 61.906 63.200 0.037 0.000 0.850 347 S HN 0.697 nan 8.310 nan 0.000 0.570 348 A N 2.480 125.352 122.820 0.088 0.000 3.346 348 A HA 0.512 4.832 4.320 -0.000 0.000 0.222 348 A C -2.449 175.264 177.584 0.216 0.000 1.138 348 A CA -0.335 51.790 52.037 0.145 0.000 1.074 348 A CB 0.779 19.899 19.000 0.199 0.000 1.347 348 A HN 0.455 nan 8.150 nan 0.000 0.751 349 P HA 0.311 nan 4.420 nan 0.000 0.272 349 P C -2.863 174.502 177.300 0.108 0.000 1.230 349 P CA -0.945 62.221 63.100 0.109 0.000 0.788 349 P CB 0.454 32.151 31.700 -0.006 0.000 0.949 350 P HA 0.073 nan 4.420 nan 0.000 0.278 350 P C 0.909 178.144 177.300 -0.109 0.000 1.238 350 P CA 0.105 63.106 63.100 -0.164 0.000 0.794 350 P CB 0.752 32.349 31.700 -0.172 0.000 0.955 351 G N 2.628 111.353 108.800 -0.126 0.000 2.556 351 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.215 351 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.215 351 G C -0.017 174.836 174.900 -0.078 0.000 1.258 351 G CA 0.511 45.563 45.100 -0.080 0.000 0.811 351 G HN 0.487 nan 8.290 nan 0.000 0.557 352 D N 1.213 121.560 120.400 -0.089 0.000 2.193 352 D HA 0.416 5.056 4.640 -0.000 0.000 0.244 352 D C -2.412 173.845 176.300 -0.071 0.000 1.064 352 D CA -1.232 52.732 54.000 -0.061 0.000 0.845 352 D CB 1.615 42.389 40.800 -0.044 0.000 1.148 352 D HN -0.029 nan 8.370 nan 0.000 0.464 353 P HA 0.099 nan 4.420 nan 0.000 0.266 353 P C -2.336 174.972 177.300 0.015 0.000 1.195 353 P CA -0.758 62.343 63.100 0.001 0.000 0.768 353 P CB -0.109 31.597 31.700 0.009 0.000 0.838 354 P HA 0.091 nan 4.420 nan 0.000 0.271 354 P C -0.927 176.371 177.300 -0.004 0.000 1.218 354 P CA 0.067 63.226 63.100 0.099 0.000 0.780 354 P CB 0.740 32.580 31.700 0.233 0.000 0.901 355 Q N 1.922 121.732 119.800 0.017 0.000 2.337 355 Q HA 0.425 4.765 4.340 -0.000 0.000 0.270 355 Q C -2.506 173.477 176.000 -0.029 0.000 1.043 355 Q CA -2.182 53.609 55.803 -0.020 0.000 0.794 355 Q CB 1.642 30.384 28.738 0.006 0.000 1.281 355 Q HN 0.327 nan 8.270 nan 0.000 0.446 356 P HA 0.080 nan 4.420 nan 0.000 0.267 356 P C -0.509 176.625 177.300 -0.276 0.000 1.205 356 P CA 0.199 63.184 63.100 -0.192 0.000 0.765 356 P CB 0.778 32.361 31.700 -0.196 0.000 0.828 357 E N 2.234 122.245 120.200 -0.315 0.000 2.222 357 E HA 0.207 4.557 4.350 -0.000 0.000 0.267 357 E C -0.419 175.985 176.600 -0.327 0.000 0.884 357 E CA -0.410 55.856 56.400 -0.224 0.000 0.764 357 E CB 1.398 31.064 29.700 -0.058 0.000 1.169 357 E HN 0.458 nan 8.360 nan 0.000 0.413 358 Y N -0.125 120.304 120.300 0.215 0.000 2.531 358 Y HA 0.148 4.698 4.550 -0.000 0.000 0.249 358 Y C 0.397 176.525 175.900 0.379 0.000 1.168 358 Y CA -0.347 57.939 58.100 0.310 0.000 1.226 358 Y CB 1.009 39.567 38.460 0.163 0.000 1.177 358 Y HN 0.246 nan 8.280 nan 0.000 0.527 359 D N 0.428 120.967 120.400 0.233 0.000 2.505 359 D HA 0.104 4.743 4.640 -0.000 0.000 0.250 359 D C 0.696 176.781 176.300 -0.359 0.000 1.164 359 D CA -0.336 53.677 54.000 0.021 0.000 0.870 359 D CB 1.670 42.488 40.800 0.029 0.000 1.160 359 D HN 0.098 nan 8.370 nan 0.000 0.549 360 L N 4.463 125.142 121.223 -0.907 0.000 2.021 360 L HA -0.135 4.205 4.340 -0.000 0.000 0.215 360 L C 1.895 178.436 176.870 -0.548 0.000 1.074 360 L CA 2.115 56.256 54.840 -1.165 0.000 0.760 360 L CB -0.505 40.641 42.059 -1.523 0.000 0.889 360 L HN 0.674 nan 8.230 nan 0.000 0.433 361 E N -1.081 118.903 120.200 -0.360 0.000 2.267 361 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 361 E C 1.579 178.082 176.600 -0.161 0.000 0.998 361 E CA 0.890 57.161 56.400 -0.214 0.000 0.830 361 E CB -0.033 29.588 29.700 -0.131 0.000 0.751 361 E HN 0.460 nan 8.360 nan 0.000 0.491 362 L N 0.780 121.909 121.223 -0.157 0.000 2.611 362 L HA 0.222 4.562 4.340 -0.000 0.000 0.229 362 L C 0.239 177.050 176.870 -0.098 0.000 1.137 362 L CA 0.392 55.174 54.840 -0.097 0.000 0.901 362 L CB 0.242 42.268 42.059 -0.055 0.000 1.098 362 L HN 0.093 nan 8.230 nan 0.000 0.456 363 I N -0.270 120.212 120.570 -0.147 0.000 2.304 363 I HA 0.142 4.312 4.170 -0.000 0.000 0.291 363 I C 0.018 176.081 176.117 -0.091 0.000 1.018 363 I CA -0.033 61.197 61.300 -0.117 0.000 1.260 363 I CB 0.948 38.852 38.000 -0.160 0.000 1.390 363 I HN -0.053 nan 8.210 nan 0.000 0.475 364 T N 5.003 119.526 114.554 -0.052 0.000 2.733 364 T HA 0.340 4.690 4.350 -0.000 0.000 0.294 364 T C -0.045 174.643 174.700 -0.021 0.000 0.956 364 T CA -0.541 61.540 62.100 -0.031 0.000 0.987 364 T CB 0.638 69.495 68.868 -0.018 0.000 0.920 364 T HN 0.697 nan 8.240 nan 0.000 0.470 365 S N 1.477 117.166 115.700 -0.018 0.000 2.594 365 S HA 0.419 4.889 4.470 -0.000 0.000 0.296 365 S C 0.238 174.840 174.600 0.005 0.000 1.124 365 S CA -0.802 57.388 58.200 -0.016 0.000 1.011 365 S CB 0.773 63.948 63.200 -0.041 0.000 1.016 365 S HN 0.911 nan 8.310 nan 0.000 0.485 366 C N 3.010 122.316 119.300 0.011 0.000 4.454 366 C HA -0.195 4.265 4.460 -0.000 0.000 0.301 366 C C 1.279 176.322 174.990 0.088 0.000 1.366 366 C CA 0.895 59.934 59.018 0.035 0.000 2.016 366 C CB -3.074 24.669 27.740 0.005 0.000 1.253 366 C HN 1.910 nan 8.230 nan 0.000 0.770 367 S N -1.123 114.620 115.700 0.072 0.000 3.270 367 S HA -0.206 4.264 4.470 -0.000 0.000 0.293 367 S C 0.250 174.908 174.600 0.097 0.000 1.278 367 S CA 1.389 59.637 58.200 0.080 0.000 1.038 367 S CB -1.053 62.211 63.200 0.108 0.000 1.218 367 S HN 1.154 nan 8.310 nan 0.000 0.659 368 S N 1.756 117.518 115.700 0.105 0.000 2.671 368 S HA 0.775 5.245 4.470 -0.000 0.000 0.299 368 S C -0.461 174.165 174.600 0.043 0.000 1.116 368 S CA -0.874 57.405 58.200 0.131 0.000 0.912 368 S CB 1.803 65.153 63.200 0.249 0.000 1.130 368 S HN 0.596 nan 8.310 nan 0.000 0.501 369 N N -0.656 118.058 118.700 0.024 0.000 2.331 369 N HA 0.372 5.112 4.740 -0.000 0.000 0.280 369 N C -1.514 173.932 175.510 -0.106 0.000 1.155 369 N CA -0.551 52.464 53.050 -0.059 0.000 0.822 369 N CB 1.156 39.598 38.487 -0.075 0.000 1.619 369 N HN 0.325 nan 8.380 nan 0.000 0.476 370 V N 0.729 120.546 119.914 -0.162 0.000 2.715 370 V HA 0.380 4.500 4.120 -0.000 0.000 0.299 370 V C 0.596 176.544 176.094 -0.242 0.000 1.054 370 V CA 0.120 62.297 62.300 -0.204 0.000 1.077 370 V CB 1.003 32.693 31.823 -0.222 0.000 0.972 370 V HN 0.863 nan 8.190 nan 0.000 0.484 371 S N 2.527 118.001 115.700 -0.376 0.000 2.685 371 S HA 0.782 5.252 4.470 -0.000 0.000 0.282 371 S C -1.359 173.089 174.600 -0.254 0.000 1.159 371 S CA -0.451 57.538 58.200 -0.351 0.000 0.833 371 S CB 2.045 64.970 63.200 -0.458 0.000 1.151 371 S HN 0.698 nan 8.310 nan 0.000 0.485 372 V N 1.104 120.978 119.914 -0.067 0.000 2.823 372 V HA 0.998 5.118 4.120 -0.000 0.000 0.312 372 V C -0.292 175.788 176.094 -0.024 0.000 1.072 372 V CA 0.303 62.541 62.300 -0.103 0.000 0.937 372 V CB 1.292 32.929 31.823 -0.310 0.000 1.013 372 V HN 1.354 nan 8.190 nan 0.000 0.430 373 A N 4.554 127.227 122.820 -0.246 0.000 2.535 373 A HA 0.888 5.208 4.320 -0.000 0.000 0.296 373 A C -1.354 175.738 177.584 -0.820 0.000 1.248 373 A CA -0.601 51.159 52.037 -0.461 0.000 0.686 373 A CB 1.773 20.391 19.000 -0.637 0.000 1.315 373 A HN 0.940 nan 8.150 nan 0.000 0.460 374 H N 0.374 119.131 119.070 -0.522 0.000 2.717 374 H HA 0.397 4.953 4.556 -0.000 0.000 0.366 374 H C -1.153 173.926 175.328 -0.414 0.000 1.132 374 H CA -0.411 55.357 56.048 -0.467 0.000 1.180 374 H CB 1.902 31.347 29.762 -0.529 0.000 1.678 374 H HN 0.910 nan 8.280 nan 0.000 0.537 375 D N 0.699 121.057 120.400 -0.071 0.000 2.478 375 D HA 0.177 4.817 4.640 -0.000 0.000 0.269 375 D C 1.349 177.806 176.300 0.262 0.000 1.232 375 D CA -0.363 53.674 54.000 0.062 0.000 1.059 375 D CB 0.379 41.189 40.800 0.017 0.000 1.104 375 D HN 0.461 nan 8.370 nan 0.000 0.566 376 A N -0.067 122.862 122.820 0.183 0.000 1.958 376 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 376 A C 1.983 179.636 177.584 0.115 0.000 1.178 376 A CA 2.774 54.885 52.037 0.122 0.000 0.642 376 A CB -1.171 17.859 19.000 0.050 0.000 0.816 376 A HN 0.676 nan 8.150 nan 0.000 0.453 377 S N -2.151 113.609 115.700 0.099 0.000 2.631 377 S HA 0.396 4.866 4.470 -0.000 0.000 0.217 377 S C 1.345 175.995 174.600 0.084 0.000 0.958 377 S CA 1.011 59.254 58.200 0.072 0.000 0.920 377 S CB -0.287 62.941 63.200 0.047 0.000 0.776 377 S HN 2.001 nan 8.310 nan 0.000 0.517 378 G N 1.283 110.164 108.800 0.135 0.000 2.179 378 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 378 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 378 G C -0.018 174.972 174.900 0.149 0.000 0.977 378 G CA 0.294 45.461 45.100 0.111 0.000 0.641 378 G HN 0.752 nan 8.290 nan 0.000 0.533 379 K N 1.037 121.489 120.400 0.087 0.000 2.401 379 K HA 0.354 4.674 4.320 -0.000 0.000 0.278 379 K C 0.847 177.411 176.600 -0.060 0.000 1.018 379 K CA -0.583 55.724 56.287 0.034 0.000 0.981 379 K CB 0.248 32.751 32.500 0.005 0.000 0.933 379 K HN 0.338 nan 8.250 nan 0.000 0.477 380 R N 2.078 122.495 120.500 -0.138 0.000 2.489 380 R HA 0.120 4.460 4.340 -0.000 0.000 0.287 380 R C -0.746 175.308 176.300 -0.409 0.000 1.053 380 R CA -0.240 55.600 56.100 -0.433 0.000 1.036 380 R CB 0.705 30.776 30.300 -0.382 0.000 0.966 380 R HN 0.267 nan 8.270 nan 0.000 0.432 381 V N 4.877 124.489 119.914 -0.503 0.000 2.482 381 V HA 0.231 4.351 4.120 -0.000 0.000 0.295 381 V C -0.912 175.024 176.094 -0.263 0.000 1.026 381 V CA -0.923 61.198 62.300 -0.298 0.000 0.856 381 V CB 1.158 32.869 31.823 -0.187 0.000 1.001 381 V HN 0.603 nan 8.190 nan 0.000 0.424 382 Y N 5.064 125.357 120.300 -0.011 0.000 2.301 382 Y HA 0.659 5.209 4.550 -0.000 0.000 0.325 382 Y C 0.045 176.010 175.900 0.107 0.000 1.203 382 Y CA -0.119 57.981 58.100 -0.000 0.000 1.255 382 Y CB 1.254 39.673 38.460 -0.069 0.000 1.232 382 Y HN 0.749 nan 8.280 nan 0.000 0.501 383 Y N -0.674 119.692 120.300 0.110 0.000 2.624 383 Y HA 0.619 5.169 4.550 -0.000 0.000 0.334 383 Y C -2.117 173.837 175.900 0.089 0.000 1.155 383 Y CA -1.891 56.250 58.100 0.068 0.000 1.046 383 Y CB 0.676 39.150 38.460 0.023 0.000 1.316 383 Y HN 0.438 nan 8.280 nan 0.000 0.457 384 L N 2.820 124.113 121.223 0.118 0.000 2.326 384 L HA 0.633 4.973 4.340 -0.000 0.000 0.278 384 L C 0.225 177.300 176.870 0.341 0.000 1.092 384 L CA -0.197 54.707 54.840 0.107 0.000 0.810 384 L CB 1.687 43.827 42.059 0.135 0.000 1.153 384 L HN 1.010 nan 8.230 nan 0.000 0.439 385 T N 3.191 117.900 114.554 0.258 0.000 2.716 385 T HA 0.804 5.154 4.350 -0.000 0.000 0.286 385 T C -1.227 173.600 174.700 0.212 0.000 1.052 385 T CA -0.634 61.689 62.100 0.371 0.000 1.024 385 T CB 1.796 70.857 68.868 0.322 0.000 1.349 385 T HN 0.809 nan 8.240 nan 0.000 0.525 386 R N 0.422 120.971 120.500 0.081 0.000 2.741 386 R HA 0.427 4.767 4.340 -0.000 0.000 0.276 386 R C -1.578 174.561 176.300 -0.268 0.000 1.028 386 R CA -0.992 55.049 56.100 -0.097 0.000 0.865 386 R CB 0.321 30.509 30.300 -0.186 0.000 1.268 386 R HN 0.553 nan 8.270 nan 0.000 0.475 387 D N 1.856 122.095 120.400 -0.269 0.000 2.458 387 D HA 0.052 4.692 4.640 -0.000 0.000 0.243 387 D C -1.386 174.544 176.300 -0.618 0.000 1.146 387 D CA -1.257 52.533 54.000 -0.349 0.000 0.877 387 D CB 1.295 41.971 40.800 -0.207 0.000 1.176 387 D HN 0.368 nan 8.370 nan 0.000 0.461 388 P HA 0.012 nan 4.420 nan 0.000 0.249 388 P C 1.075 178.032 177.300 -0.572 0.000 1.229 388 P CA 0.101 62.501 63.100 -1.167 0.000 0.788 388 P CB 0.342 31.189 31.700 -1.422 0.000 1.072 389 T N -0.087 114.252 114.554 -0.358 0.000 2.622 389 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 389 T C 1.781 176.399 174.700 -0.137 0.000 1.047 389 T CA 2.393 64.380 62.100 -0.188 0.000 1.159 389 T CB -1.125 67.678 68.868 -0.109 0.000 0.863 389 T HN 0.198 nan 8.240 nan 0.000 0.422 390 T N 2.188 116.665 114.554 -0.128 0.000 2.737 390 T HA -0.039 4.311 4.350 -0.000 0.000 0.265 390 T C -0.549 174.089 174.700 -0.103 0.000 1.038 390 T CA 1.103 63.147 62.100 -0.093 0.000 1.144 390 T CB -1.202 67.638 68.868 -0.046 0.000 0.866 390 T HN 0.319 nan 8.240 nan 0.000 0.434 391 P HA -0.008 nan 4.420 nan 0.000 0.215 391 P C 1.500 178.826 177.300 0.044 0.000 1.153 391 P CA 0.928 64.022 63.100 -0.009 0.000 0.853 391 P CB -0.168 31.508 31.700 -0.040 0.000 0.788 392 L N -1.470 119.728 121.223 -0.042 0.000 2.093 392 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 392 L C 2.447 179.334 176.870 0.028 0.000 1.085 392 L CA 1.402 56.239 54.840 -0.006 0.000 0.755 392 L CB -1.113 40.899 42.059 -0.077 0.000 0.904 392 L HN -0.048 nan 8.230 nan 0.000 0.435 393 A N 0.325 123.147 122.820 0.003 0.000 1.877 393 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 393 A C 2.375 180.004 177.584 0.075 0.000 1.186 393 A CA 1.462 53.517 52.037 0.031 0.000 0.620 393 A CB -0.448 18.537 19.000 -0.025 0.000 0.822 393 A HN 0.319 nan 8.150 nan 0.000 0.443 394 R N -0.585 119.934 120.500 0.031 0.000 2.115 394 R HA -0.015 4.325 4.340 -0.000 0.000 0.230 394 R C 2.429 178.883 176.300 0.256 0.000 1.111 394 R CA 1.013 57.161 56.100 0.080 0.000 0.976 394 R CB -0.419 29.874 30.300 -0.013 0.000 0.870 394 R HN 0.516 nan 8.270 nan 0.000 0.445 395 A N 1.423 124.408 122.820 0.276 0.000 1.902 395 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 395 A C 2.383 180.173 177.584 0.344 0.000 1.181 395 A CA 1.619 53.921 52.037 0.443 0.000 0.623 395 A CB -0.561 18.704 19.000 0.443 0.000 0.818 395 A HN 0.373 nan 8.150 nan 0.000 0.443 396 A N -1.258 121.678 122.820 0.193 0.000 1.902 396 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 396 A C 2.118 179.827 177.584 0.208 0.000 1.181 396 A CA 1.393 53.512 52.037 0.138 0.000 0.623 396 A CB -0.906 18.160 19.000 0.110 0.000 0.818 396 A HN 0.837 nan 8.150 nan 0.000 0.443 397 W N 1.014 122.357 121.300 0.071 0.000 2.355 397 W HA -0.171 4.489 4.660 -0.000 0.000 0.309 397 W C 1.713 178.282 176.519 0.084 0.000 1.206 397 W CA 2.031 59.409 57.345 0.055 0.000 1.284 397 W CB -0.334 29.140 29.460 0.022 0.000 1.145 397 W HN 0.552 nan 8.180 nan 0.000 0.502 398 E N -0.747 119.709 120.200 0.426 0.000 2.268 398 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 398 E C 2.010 178.776 176.600 0.276 0.000 0.995 398 E CA 1.675 58.298 56.400 0.370 0.000 0.836 398 E CB -0.171 29.821 29.700 0.486 0.000 0.763 398 E HN 0.114 nan 8.360 nan 0.000 0.491 399 T N 0.202 114.906 114.554 0.250 0.000 2.896 399 T HA -0.027 4.323 4.350 -0.000 0.000 0.263 399 T C 1.862 176.584 174.700 0.036 0.000 1.050 399 T CA 1.088 63.291 62.100 0.172 0.000 1.140 399 T CB 0.036 69.015 68.868 0.184 0.000 0.877 399 T HN 0.215 nan 8.240 nan 0.000 0.457 400 A N 1.161 123.951 122.820 -0.051 0.000 2.081 400 A HA 0.222 4.542 4.320 -0.000 0.000 0.214 400 A C 1.021 178.419 177.584 -0.309 0.000 1.158 400 A CA 0.214 52.148 52.037 -0.171 0.000 0.724 400 A CB 0.151 19.020 19.000 -0.218 0.000 0.826 400 A HN 0.370 nan 8.150 nan 0.000 0.463 401 R N 0.415 120.709 120.500 -0.344 0.000 2.686 401 R HA 0.394 4.734 4.340 -0.000 0.000 0.283 401 R C -1.412 174.732 176.300 -0.261 0.000 0.978 401 R CA -0.889 54.924 56.100 -0.479 0.000 0.897 401 R CB 0.840 30.800 30.300 -0.565 0.000 1.192 401 R HN 0.368 nan 8.270 nan 0.000 0.457 402 H N 1.826 120.897 119.070 0.001 0.000 3.026 402 H HA 0.102 4.658 4.556 -0.000 0.000 0.289 402 H C 0.285 175.653 175.328 0.067 0.000 1.022 402 H CA 0.107 56.179 56.048 0.040 0.000 1.477 402 H CB 0.220 29.992 29.762 0.018 0.000 1.510 402 H HN 0.622 nan 8.280 nan 0.000 0.535 403 T N 0.179 114.842 114.554 0.182 0.000 2.893 403 T HA 0.237 4.587 4.350 -0.000 0.000 0.293 403 T C -1.825 172.930 174.700 0.092 0.000 1.027 403 T CA -1.857 60.334 62.100 0.152 0.000 0.988 403 T CB 2.783 71.781 68.868 0.217 0.000 1.043 403 T HN 0.216 nan 8.240 nan 0.000 0.461 404 P HA 0.088 nan 4.420 nan 0.000 0.233 404 P C 0.137 177.430 177.300 -0.012 0.000 1.167 404 P CA 0.101 63.184 63.100 -0.028 0.000 0.770 404 P CB 0.016 31.663 31.700 -0.088 0.000 0.837 405 V N 2.193 122.116 119.914 0.014 0.000 2.465 405 V HA 0.230 4.350 4.120 -0.000 0.000 0.279 405 V C 0.524 176.618 176.094 -0.000 0.000 1.045 405 V CA -0.351 61.946 62.300 -0.005 0.000 0.938 405 V CB 0.902 32.726 31.823 0.002 0.000 0.986 405 V HN 0.066 nan 8.190 nan 0.000 0.467 406 N N 2.633 121.271 118.700 -0.103 0.000 2.813 406 N HA 0.080 4.819 4.740 -0.000 0.000 0.282 406 N C 1.315 176.610 175.510 -0.357 0.000 1.748 406 N CA 0.161 53.057 53.050 -0.255 0.000 0.860 406 N CB 1.548 39.768 38.487 -0.446 0.000 1.204 406 N HN 0.796 nan 8.380 nan 0.000 0.490 407 S N 0.155 115.783 115.700 -0.120 0.000 2.419 407 S HA -0.127 4.343 4.470 -0.000 0.000 0.235 407 S C 1.853 176.434 174.600 -0.031 0.000 1.019 407 S CA 0.277 58.443 58.200 -0.057 0.000 0.982 407 S CB -0.488 62.727 63.200 0.024 0.000 0.789 407 S HN 0.713 nan 8.310 nan 0.000 0.490 408 W N 1.179 122.428 121.300 -0.086 0.000 2.363 408 W HA -0.039 4.621 4.660 -0.000 0.000 0.296 408 W C 1.669 178.091 176.519 -0.161 0.000 1.212 408 W CA 0.513 57.764 57.345 -0.156 0.000 1.260 408 W CB -0.976 28.142 29.460 -0.569 0.000 1.131 408 W HN 0.375 nan 8.180 nan 0.000 0.530 409 L N 2.833 123.470 121.223 -0.977 0.000 2.072 409 L HA 0.198 4.538 4.340 -0.000 0.000 0.205 409 L C 2.676 179.363 176.870 -0.305 0.000 1.079 409 L CA 2.737 57.057 54.840 -0.866 0.000 0.752 409 L CB -1.385 39.928 42.059 -1.244 0.000 0.906 409 L HN 0.039 nan 8.230 nan 0.000 0.436 410 G N -0.524 108.127 108.800 -0.249 0.000 2.442 410 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.219 410 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.219 410 G C 1.478 176.404 174.900 0.044 0.000 1.141 410 G CA 0.818 45.863 45.100 -0.092 0.000 0.763 410 G HN 0.437 nan 8.290 nan 0.000 0.554 411 N N 0.579 119.356 118.700 0.127 0.000 2.120 411 N HA -0.025 4.715 4.740 -0.000 0.000 0.188 411 N C 2.261 177.910 175.510 0.232 0.000 1.024 411 N CA 0.711 53.949 53.050 0.313 0.000 0.852 411 N CB -0.208 38.524 38.487 0.408 0.000 1.003 411 N HN 0.340 nan 8.380 nan 0.000 0.424 412 I N 0.943 121.611 120.570 0.163 0.000 2.226 412 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 412 I C 2.052 178.218 176.117 0.081 0.000 1.100 412 I CA 0.850 62.222 61.300 0.121 0.000 1.374 412 I CB -0.163 37.966 38.000 0.214 0.000 1.057 412 I HN 0.059 nan 8.210 nan 0.000 0.413 413 I N 0.066 120.694 120.570 0.096 0.000 2.142 413 I HA -0.309 3.861 4.170 -0.000 0.000 0.240 413 I C 2.534 178.760 176.117 0.182 0.000 1.078 413 I CA 1.334 62.721 61.300 0.145 0.000 1.343 413 I CB -0.252 37.835 38.000 0.146 0.000 1.046 413 I HN 0.216 nan 8.210 nan 0.000 0.405 414 M N -0.715 118.924 119.600 0.065 0.000 2.254 414 M HA -0.119 4.360 4.480 -0.000 0.000 0.265 414 M C 1.121 177.248 176.300 -0.289 0.000 1.066 414 M CA 1.713 56.952 55.300 -0.101 0.000 1.123 414 M CB -0.821 31.609 32.600 -0.283 0.000 1.388 414 M HN 0.229 nan 8.290 nan 0.000 0.425 415 Y N -0.657 119.623 120.300 -0.033 0.000 2.734 415 Y HA 0.451 5.001 4.550 -0.000 0.000 0.278 415 Y C 1.800 177.431 175.900 -0.449 0.000 1.108 415 Y CA -0.300 57.668 58.100 -0.221 0.000 1.211 415 Y CB -0.483 37.799 38.460 -0.298 0.000 1.182 415 Y HN 0.161 nan 8.280 nan 0.000 0.547 416 A N 1.032 123.635 122.820 -0.361 0.000 1.948 416 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 416 A C -0.494 176.809 177.584 -0.468 0.000 1.177 416 A CA 1.639 53.438 52.037 -0.396 0.000 0.636 416 A CB -1.353 17.429 19.000 -0.363 0.000 0.815 416 A HN 0.290 nan 8.150 nan 0.000 0.449 417 P HA 0.016 nan 4.420 nan 0.000 0.233 417 P C 0.639 177.635 177.300 -0.506 0.000 1.167 417 P CA 1.180 63.986 63.100 -0.490 0.000 0.770 417 P CB -0.383 31.035 31.700 -0.470 0.000 0.837 418 T N -1.683 112.573 114.554 -0.497 0.000 2.900 418 T HA 0.128 4.478 4.350 -0.000 0.000 0.307 418 T C 1.283 175.559 174.700 -0.707 0.000 1.065 418 T CA -0.536 61.212 62.100 -0.587 0.000 1.105 418 T CB 0.512 68.805 68.868 -0.959 0.000 0.979 418 T HN -0.061 nan 8.240 nan 0.000 0.544 419 L N 0.738 121.466 121.223 -0.825 0.000 2.156 419 L HA 0.145 4.485 4.340 -0.000 0.000 0.208 419 L C 2.398 178.972 176.870 -0.494 0.000 1.095 419 L CA 0.705 55.080 54.840 -0.775 0.000 0.770 419 L CB -1.314 40.129 42.059 -1.026 0.000 0.914 419 L HN 0.877 nan 8.230 nan 0.000 0.439 420 W N 0.398 121.482 121.300 -0.359 0.000 2.418 420 W HA 0.167 4.827 4.660 -0.000 0.000 0.292 420 W C 2.066 178.443 176.519 -0.237 0.000 1.213 420 W CA 0.661 57.832 57.345 -0.291 0.000 1.283 420 W CB -1.121 28.200 29.460 -0.232 0.000 1.119 420 W HN 0.296 nan 8.180 nan 0.000 0.542 421 A N 1.743 124.153 122.820 -0.685 0.000 1.929 421 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 421 A C 2.253 179.692 177.584 -0.242 0.000 1.176 421 A CA 1.365 53.129 52.037 -0.455 0.000 0.628 421 A CB -0.644 17.941 19.000 -0.692 0.000 0.816 421 A HN 0.280 nan 8.150 nan 0.000 0.444 422 R N -0.915 119.365 120.500 -0.368 0.000 2.057 422 R HA 0.067 4.406 4.340 -0.000 0.000 0.229 422 R C 2.213 178.336 176.300 -0.296 0.000 1.136 422 R CA 1.689 57.590 56.100 -0.332 0.000 0.952 422 R CB -0.351 29.625 30.300 -0.540 0.000 0.848 422 R HN 0.492 nan 8.270 nan 0.000 0.430 423 M N -0.220 119.061 119.600 -0.531 0.000 2.288 423 M HA -0.008 4.472 4.480 -0.000 0.000 0.266 423 M C 1.885 178.126 176.300 -0.097 0.000 1.072 423 M CA 1.438 56.499 55.300 -0.399 0.000 1.132 423 M CB 0.114 32.393 32.600 -0.535 0.000 1.386 423 M HN 0.126 nan 8.290 nan 0.000 0.432 424 I N -0.679 119.689 120.570 -0.338 0.000 2.962 424 I HA -0.088 4.082 4.170 -0.000 0.000 0.246 424 I C 2.093 178.022 176.117 -0.314 0.000 1.091 424 I CA 0.347 61.194 61.300 -0.754 0.000 1.469 424 I CB -0.289 37.196 38.000 -0.858 0.000 1.324 424 I HN 0.123 nan 8.210 nan 0.000 0.461 425 L N 0.386 121.601 121.223 -0.014 0.000 2.012 425 L HA -0.229 4.110 4.340 -0.000 0.000 0.210 425 L C 2.702 179.858 176.870 0.477 0.000 1.073 425 L CA 1.696 56.722 54.840 0.310 0.000 0.748 425 L CB -0.500 41.795 42.059 0.394 0.000 0.891 425 L HN 0.297 nan 8.230 nan 0.000 0.431 426 M N -0.922 118.926 119.600 0.412 0.000 2.086 426 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 426 M C 2.349 179.141 176.300 0.820 0.000 1.067 426 M CA 2.050 57.718 55.300 0.614 0.000 1.116 426 M CB -0.679 32.124 32.600 0.338 0.000 1.348 426 M HN 0.256 nan 8.290 nan 0.000 0.407 427 T N -1.158 113.842 114.554 0.744 0.000 2.652 427 T HA -0.242 4.107 4.350 -0.000 0.000 0.267 427 T C 1.653 176.656 174.700 0.505 0.000 1.039 427 T CA 2.035 64.572 62.100 0.728 0.000 1.153 427 T CB -0.630 68.705 68.868 0.778 0.000 0.863 427 T HN 0.478 nan 8.240 nan 0.000 0.428 428 H N 0.450 119.692 119.070 0.287 0.000 2.289 428 H HA -0.072 4.484 4.556 -0.000 0.000 0.296 428 H C 1.851 177.045 175.328 -0.224 0.000 1.091 428 H CA 1.808 57.880 56.048 0.039 0.000 1.274 428 H CB -0.586 29.025 29.762 -0.251 0.000 1.364 428 H HN 0.421 nan 8.280 nan 0.000 0.490 429 F N -1.232 118.661 119.950 -0.094 0.000 2.206 429 F HA -0.024 4.502 4.527 -0.000 0.000 0.298 429 F C 2.048 177.692 175.800 -0.260 0.000 1.090 429 F CA 0.597 58.333 58.000 -0.440 0.000 1.323 429 F CB -0.402 38.048 39.000 -0.915 0.000 1.028 429 F HN 0.127 nan 8.300 nan 0.000 0.492 430 F N -0.517 119.559 119.950 0.209 0.000 2.234 430 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 430 F C 2.700 178.538 175.800 0.063 0.000 1.087 430 F CA 1.405 59.524 58.000 0.198 0.000 1.340 430 F CB -0.729 38.471 39.000 0.334 0.000 1.031 430 F HN -0.092 nan 8.300 nan 0.000 0.500 431 S N 0.387 116.179 115.700 0.153 0.000 2.368 431 S HA -0.160 4.309 4.470 -0.000 0.000 0.225 431 S C 2.082 176.655 174.600 -0.045 0.000 1.030 431 S CA 1.359 59.576 58.200 0.028 0.000 0.999 431 S CB -0.406 62.793 63.200 -0.001 0.000 0.844 431 S HN 0.336 nan 8.310 nan 0.000 0.459 432 I N 1.177 121.660 120.570 -0.145 0.000 2.252 432 I HA -0.126 4.043 4.170 -0.000 0.000 0.245 432 I C 2.156 178.240 176.117 -0.055 0.000 1.102 432 I CA 0.902 62.111 61.300 -0.153 0.000 1.385 432 I CB -0.326 37.505 38.000 -0.283 0.000 1.064 432 I HN 0.296 nan 8.210 nan 0.000 0.414 433 L N 0.180 121.385 121.223 -0.031 0.000 2.083 433 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 433 L C 2.531 179.430 176.870 0.049 0.000 1.083 433 L CA 1.281 56.131 54.840 0.016 0.000 0.752 433 L CB -0.503 41.549 42.059 -0.012 0.000 0.899 433 L HN 0.281 nan 8.230 nan 0.000 0.433 434 L N -0.327 120.936 121.223 0.067 0.000 2.027 434 L HA -0.184 4.156 4.340 -0.000 0.000 0.206 434 L C 2.892 179.780 176.870 0.030 0.000 1.074 434 L CA 1.262 56.141 54.840 0.065 0.000 0.745 434 L CB -0.662 41.435 42.059 0.065 0.000 0.898 434 L HN 0.222 nan 8.230 nan 0.000 0.433 435 A N -0.656 122.169 122.820 0.008 0.000 1.978 435 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 435 A C 2.047 179.633 177.584 0.004 0.000 1.170 435 A CA 1.627 53.662 52.037 -0.003 0.000 0.636 435 A CB -0.374 18.613 19.000 -0.022 0.000 0.810 435 A HN 0.572 nan 8.150 nan 0.000 0.448 436 Q N -1.096 118.710 119.800 0.010 0.000 2.282 436 Q HA 0.099 4.439 4.340 -0.000 0.000 0.206 436 Q C -0.596 175.420 176.000 0.027 0.000 0.878 436 Q CA -0.089 55.724 55.803 0.017 0.000 0.944 436 Q CB 0.499 29.250 28.738 0.021 0.000 1.100 436 Q HN 0.488 nan 8.270 nan 0.000 0.509 437 E N 0.666 120.886 120.200 0.033 0.000 2.297 437 E HA -0.248 4.102 4.350 -0.000 0.000 0.228 437 E C -0.342 176.286 176.600 0.047 0.000 1.213 437 E CA 0.822 57.245 56.400 0.040 0.000 0.712 437 E CB -1.280 28.439 29.700 0.031 0.000 1.202 437 E HN 0.594 nan 8.360 nan 0.000 0.376 438 Q N -0.606 119.227 119.800 0.054 0.000 2.157 438 Q HA 0.255 4.595 4.340 -0.000 0.000 0.229 438 Q C 1.928 177.973 176.000 0.075 0.000 0.827 438 Q CA -0.243 55.597 55.803 0.062 0.000 1.055 438 Q CB 0.439 29.217 28.738 0.066 0.000 1.157 438 Q HN 0.314 nan 8.270 nan 0.000 0.482 439 L N 0.156 121.431 121.223 0.086 0.000 2.187 439 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 439 L C 1.119 178.054 176.870 0.108 0.000 1.100 439 L CA 1.302 56.211 54.840 0.114 0.000 0.765 439 L CB 0.097 42.250 42.059 0.156 0.000 0.904 439 L HN 0.216 nan 8.230 nan 0.000 0.437 440 E N -0.736 119.516 120.200 0.087 0.000 2.474 440 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 440 E C 0.357 176.998 176.600 0.067 0.000 1.039 440 E CA 0.024 56.470 56.400 0.077 0.000 0.881 440 E CB 0.228 29.966 29.700 0.065 0.000 0.970 440 E HN 0.121 nan 8.360 nan 0.000 0.486 441 K N 1.488 121.929 120.400 0.069 0.000 2.349 441 K HA 0.372 4.692 4.320 -0.000 0.000 0.289 441 K C -0.399 176.238 176.600 0.061 0.000 1.064 441 K CA -0.325 56.000 56.287 0.063 0.000 0.947 441 K CB 0.536 33.076 32.500 0.066 0.000 1.007 441 K HN 0.039 nan 8.250 nan 0.000 0.478 442 A N 5.146 127.997 122.820 0.053 0.000 2.462 442 A HA 0.332 4.652 4.320 -0.000 0.000 0.243 442 A C -0.513 177.088 177.584 0.030 0.000 1.076 442 A CA -0.218 51.845 52.037 0.043 0.000 0.773 442 A CB 0.142 19.172 19.000 0.050 0.000 1.010 442 A HN 0.765 nan 8.150 nan 0.000 0.493 443 L N 1.868 123.086 121.223 -0.008 0.000 2.381 443 L HA 0.392 4.732 4.340 -0.000 0.000 0.268 443 L C -0.855 175.973 176.870 -0.070 0.000 0.997 443 L CA -1.048 53.766 54.840 -0.043 0.000 0.818 443 L CB 2.055 44.047 42.059 -0.111 0.000 1.310 443 L HN 0.581 nan 8.230 nan 0.000 0.416 444 D N 1.560 121.931 120.400 -0.049 0.000 2.256 444 D HA 0.474 5.114 4.640 -0.000 0.000 0.250 444 D C -0.501 175.729 176.300 -0.117 0.000 1.093 444 D CA 0.038 54.011 54.000 -0.045 0.000 0.882 444 D CB 1.756 42.568 40.800 0.020 0.000 1.185 444 D HN 0.632 nan 8.370 nan 0.000 0.437 445 C N 0.925 120.148 119.300 -0.129 0.000 3.171 445 C HA 0.428 4.888 4.460 -0.000 0.000 0.336 445 C C -1.074 173.843 174.990 -0.122 0.000 1.198 445 C CA -1.005 57.917 59.018 -0.160 0.000 1.319 445 C CB 1.755 29.344 27.740 -0.252 0.000 1.682 445 C HN 0.438 nan 8.230 nan 0.000 0.497 446 Q N 2.502 122.246 119.800 -0.094 0.000 2.261 446 Q HA 0.593 4.933 4.340 -0.000 0.000 0.252 446 Q C -0.535 175.434 176.000 -0.052 0.000 0.915 446 Q CA -0.222 55.547 55.803 -0.055 0.000 0.915 446 Q CB 1.689 30.411 28.738 -0.026 0.000 1.204 446 Q HN 0.750 nan 8.270 nan 0.000 0.421 447 I N 2.624 123.178 120.570 -0.026 0.000 2.468 447 I HA 0.164 4.334 4.170 -0.000 0.000 0.285 447 I C 0.006 176.194 176.117 0.117 0.000 1.039 447 I CA -0.694 60.544 61.300 -0.105 0.000 1.074 447 I CB 0.646 38.322 38.000 -0.541 0.000 1.228 447 I HN 0.783 nan 8.210 nan 0.000 0.436 448 Y N 5.221 125.584 120.300 0.104 0.000 3.491 448 Y HA -0.319 4.231 4.550 -0.000 0.000 0.215 448 Y C 1.604 177.508 175.900 0.006 0.000 1.219 448 Y CA 0.334 58.496 58.100 0.104 0.000 1.485 448 Y CB -1.057 37.494 38.460 0.153 0.000 1.450 448 Y HN 0.966 nan 8.280 nan 0.000 0.603 449 G N -1.442 107.457 108.800 0.164 0.000 2.253 449 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.251 449 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.251 449 G C 0.178 175.084 174.900 0.011 0.000 0.998 449 G CA 0.044 45.187 45.100 0.071 0.000 0.621 449 G HN 1.350 nan 8.290 nan 0.000 0.524 450 A N -0.630 122.179 122.820 -0.017 0.000 2.304 450 A HA 0.663 4.983 4.320 -0.000 0.000 0.301 450 A C 0.596 177.949 177.584 -0.385 0.000 1.132 450 A CA 0.389 52.232 52.037 -0.324 0.000 0.819 450 A CB 1.102 19.738 19.000 -0.608 0.000 1.094 450 A HN 1.476 nan 8.150 nan 0.000 0.492 451 C N 2.169 121.160 119.300 -0.515 0.000 2.369 451 C HA 0.755 5.215 4.460 -0.000 0.000 0.358 451 C C -0.998 173.531 174.990 -0.768 0.000 1.274 451 C CA -0.384 58.393 59.018 -0.403 0.000 1.935 451 C CB -1.402 26.267 27.740 -0.118 0.000 2.431 451 C HN 0.643 nan 8.230 nan 0.000 0.545 452 Y N 2.582 122.635 120.300 -0.412 0.000 2.536 452 Y HA 0.460 5.010 4.550 -0.000 0.000 0.347 452 Y C 0.374 176.096 175.900 -0.296 0.000 1.000 452 Y CA -0.471 57.355 58.100 -0.456 0.000 1.051 452 Y CB 1.765 39.860 38.460 -0.608 0.000 1.259 452 Y HN 0.553 nan 8.280 nan 0.000 0.468 453 S N 3.198 118.855 115.700 -0.071 0.000 2.422 453 S HA 0.686 5.156 4.470 -0.000 0.000 0.298 453 S C -0.924 173.694 174.600 0.030 0.000 1.118 453 S CA -0.337 57.862 58.200 -0.002 0.000 1.083 453 S CB -0.463 62.761 63.200 0.039 0.000 0.971 453 S HN 0.504 nan 8.310 nan 0.000 0.478 454 I N 3.858 124.430 120.570 0.003 0.000 2.545 454 I HA 0.393 4.563 4.170 -0.000 0.000 0.292 454 I C -0.132 175.996 176.117 0.019 0.000 1.040 454 I CA -0.674 60.643 61.300 0.029 0.000 1.068 454 I CB 2.185 40.181 38.000 -0.006 0.000 1.251 454 I HN 0.511 nan 8.210 nan 0.000 0.424 455 E N 6.565 126.799 120.200 0.057 0.000 2.200 455 E HA 0.208 4.558 4.350 -0.000 0.000 0.283 455 E C -1.827 174.824 176.600 0.083 0.000 1.015 455 E CA -1.592 54.847 56.400 0.064 0.000 0.819 455 E CB 1.537 31.283 29.700 0.076 0.000 1.081 455 E HN 0.320 nan 8.360 nan 0.000 0.397 456 P HA -0.156 nan 4.420 nan 0.000 0.218 456 P C 1.017 178.481 177.300 0.274 0.000 1.148 456 P CA 1.009 64.182 63.100 0.123 0.000 0.822 456 P CB 0.253 31.972 31.700 0.033 0.000 0.784 457 L N -0.865 120.500 121.223 0.238 0.000 2.362 457 L HA -0.116 4.224 4.340 -0.000 0.000 0.219 457 L C 1.116 178.095 176.870 0.183 0.000 1.134 457 L CA 1.122 56.118 54.840 0.260 0.000 0.807 457 L CB -0.603 41.568 42.059 0.186 0.000 0.927 457 L HN -0.039 nan 8.230 nan 0.000 0.447 458 D N -0.508 119.981 120.400 0.149 0.000 2.339 458 D HA 0.030 4.670 4.640 -0.000 0.000 0.217 458 D C 2.165 178.532 176.300 0.112 0.000 1.050 458 D CA 0.221 54.279 54.000 0.098 0.000 0.856 458 D CB 0.314 41.158 40.800 0.074 0.000 0.922 458 D HN 0.254 nan 8.370 nan 0.000 0.518 459 L N 0.956 122.290 121.223 0.185 0.000 1.990 459 L HA -0.167 4.172 4.340 -0.000 0.000 0.213 459 L C -0.403 176.577 176.870 0.184 0.000 1.072 459 L CA 1.644 56.610 54.840 0.210 0.000 0.755 459 L CB -1.526 40.730 42.059 0.328 0.000 0.889 459 L HN 0.047 nan 8.230 nan 0.000 0.432 460 P HA -0.264 nan 4.420 nan 0.000 0.215 460 P C 1.528 178.891 177.300 0.105 0.000 1.163 460 P CA 1.533 64.675 63.100 0.071 0.000 0.894 460 P CB -0.063 31.510 31.700 -0.211 0.000 0.791 461 Q N -0.412 119.382 119.800 -0.010 0.000 2.061 461 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 461 Q C 2.087 178.080 176.000 -0.012 0.000 0.984 461 Q CA 1.708 57.491 55.803 -0.033 0.000 0.846 461 Q CB -0.652 28.052 28.738 -0.058 0.000 0.902 461 Q HN 0.181 nan 8.270 nan 0.000 0.421 462 I N 0.559 121.129 120.570 -0.000 0.000 2.163 462 I HA -0.318 3.851 4.170 -0.000 0.000 0.243 462 I C 2.368 178.492 176.117 0.012 0.000 1.085 462 I CA 1.172 62.444 61.300 -0.047 0.000 1.347 462 I CB -0.294 37.711 38.000 0.009 0.000 1.044 462 I HN 0.289 nan 8.210 nan 0.000 0.408 463 I N 0.483 121.126 120.570 0.122 0.000 2.226 463 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 463 I C 2.631 178.776 176.117 0.046 0.000 1.100 463 I CA 1.527 62.919 61.300 0.154 0.000 1.374 463 I CB -0.432 37.666 38.000 0.163 0.000 1.057 463 I HN 0.328 nan 8.210 nan 0.000 0.413 464 E N 1.138 121.397 120.200 0.099 0.000 2.077 464 E HA -0.295 4.055 4.350 -0.000 0.000 0.193 464 E C 2.298 178.886 176.600 -0.019 0.000 0.989 464 E CA 1.172 57.606 56.400 0.058 0.000 0.800 464 E CB 0.048 29.845 29.700 0.162 0.000 0.746 464 E HN 0.170 nan 8.360 nan 0.000 0.452 465 R N 0.499 120.970 120.500 -0.048 0.000 2.081 465 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 465 R C 2.205 178.422 176.300 -0.139 0.000 1.131 465 R CA 1.389 57.431 56.100 -0.096 0.000 0.960 465 R CB -0.349 29.868 30.300 -0.140 0.000 0.856 465 R HN 0.271 nan 8.270 nan 0.000 0.436 466 L N -1.366 119.743 121.223 -0.190 0.000 2.127 466 L HA -0.009 4.331 4.340 -0.000 0.000 0.203 466 L C 1.665 178.221 176.870 -0.524 0.000 1.080 466 L CA 0.948 55.559 54.840 -0.382 0.000 0.768 466 L CB -0.388 41.374 42.059 -0.495 0.000 0.924 466 L HN 0.345 nan 8.230 nan 0.000 0.444 467 H N -0.487 118.502 119.070 -0.134 0.000 2.755 467 H HA 0.309 4.865 4.556 -0.000 0.000 0.273 467 H C 0.908 176.146 175.328 -0.151 0.000 1.055 467 H CA 0.657 56.614 56.048 -0.151 0.000 1.191 467 H CB 0.808 30.456 29.762 -0.190 0.000 1.536 467 H HN 0.310 nan 8.280 nan 0.000 0.529 468 G N 1.197 109.968 108.800 -0.049 0.000 2.814 468 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.677 468 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.677 468 G C 0.709 175.551 174.900 -0.096 0.000 1.429 468 G CA -0.183 44.890 45.100 -0.045 0.000 0.868 468 G HN 0.259 nan 8.290 nan 0.000 0.553 469 L N 1.068 122.296 121.223 0.009 0.000 2.265 469 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 469 L C 3.154 180.033 176.870 0.016 0.000 1.117 469 L CA 2.052 56.962 54.840 0.115 0.000 0.782 469 L CB -0.505 41.687 42.059 0.221 0.000 0.914 469 L HN 0.897 nan 8.230 nan 0.000 0.441 470 S N -0.035 115.636 115.700 -0.048 0.000 2.442 470 S HA -0.159 4.311 4.470 -0.000 0.000 0.236 470 S C 2.137 176.643 174.600 -0.157 0.000 1.007 470 S CA 0.766 58.929 58.200 -0.061 0.000 0.965 470 S CB -0.351 62.812 63.200 -0.061 0.000 0.773 470 S HN 0.375 nan 8.310 nan 0.000 0.504 471 A N 0.979 123.601 122.820 -0.329 0.000 2.019 471 A HA 0.137 4.457 4.320 -0.000 0.000 0.219 471 A C 1.678 179.042 177.584 -0.366 0.000 1.164 471 A CA 1.045 52.812 52.037 -0.450 0.000 0.644 471 A CB -0.939 17.691 19.000 -0.616 0.000 0.805 471 A HN 0.672 nan 8.150 nan 0.000 0.449 472 F N -0.872 119.098 119.950 0.034 0.000 2.776 472 F HA 0.110 4.637 4.527 -0.000 0.000 0.300 472 F C 1.665 177.512 175.800 0.078 0.000 1.116 472 F CA 0.546 58.590 58.000 0.074 0.000 1.375 472 F CB 0.449 39.524 39.000 0.125 0.000 1.109 472 F HN 0.081 nan 8.300 nan 0.000 0.585 473 S N -0.090 115.709 115.700 0.165 0.000 2.666 473 S HA 0.291 4.761 4.470 -0.000 0.000 0.239 473 S C 0.447 175.125 174.600 0.131 0.000 1.031 473 S CA -0.350 57.937 58.200 0.145 0.000 1.015 473 S CB 0.171 63.445 63.200 0.123 0.000 0.981 473 S HN 0.040 nan 8.310 nan 0.000 0.547 474 L N 4.691 125.916 121.223 0.002 0.000 2.490 474 L HA 0.244 4.584 4.340 -0.000 0.000 0.274 474 L C 0.680 177.465 176.870 -0.142 0.000 1.201 474 L CA 0.369 55.105 54.840 -0.174 0.000 0.869 474 L CB 0.026 41.832 42.059 -0.422 0.000 1.123 474 L HN 0.499 nan 8.230 nan 0.000 0.484 475 H N -0.059 118.772 119.070 -0.399 0.000 2.933 475 H HA 0.246 4.802 4.556 -0.000 0.000 0.310 475 H C -0.277 174.883 175.328 -0.280 0.000 1.351 475 H CA -0.970 54.912 56.048 -0.276 0.000 1.137 475 H CB 1.305 31.042 29.762 -0.042 0.000 1.853 475 H HN 0.443 nan 8.280 nan 0.000 0.539 476 S N -0.318 115.314 115.700 -0.113 0.000 3.697 476 S HA -0.205 4.265 4.470 -0.000 0.000 0.388 476 S C -0.447 174.129 174.600 -0.041 0.000 0.941 476 S CA 0.474 58.640 58.200 -0.057 0.000 1.247 476 S CB -2.523 60.585 63.200 -0.154 0.000 0.904 476 S HN 0.488 nan 8.310 nan 0.000 0.518 477 Y N 1.821 122.153 120.300 0.052 0.000 2.330 477 Y HA 0.312 4.862 4.550 -0.000 0.000 0.341 477 Y C 1.414 177.363 175.900 0.081 0.000 1.278 477 Y CA 0.419 58.561 58.100 0.070 0.000 1.453 477 Y CB 0.417 38.916 38.460 0.065 0.000 1.342 477 Y HN 0.509 nan 8.280 nan 0.000 0.590 478 S N 1.207 117.066 115.700 0.265 0.000 2.585 478 S HA 0.124 4.594 4.470 -0.000 0.000 0.273 478 S C -2.072 172.608 174.600 0.133 0.000 1.339 478 S CA -1.085 57.209 58.200 0.156 0.000 1.028 478 S CB 1.226 64.493 63.200 0.113 0.000 0.906 478 S HN 0.426 nan 8.310 nan 0.000 0.528 479 P HA 0.033 nan 4.420 nan 0.000 0.217 479 P C 1.755 179.091 177.300 0.060 0.000 1.150 479 P CA 1.522 64.665 63.100 0.073 0.000 0.832 479 P CB -0.435 31.299 31.700 0.056 0.000 0.787 480 G N 0.152 108.983 108.800 0.053 0.000 2.446 480 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 480 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 480 G C 1.674 176.597 174.900 0.039 0.000 1.168 480 G CA 1.062 46.183 45.100 0.036 0.000 0.771 480 G HN 0.252 nan 8.290 nan 0.000 0.551 481 E N 0.710 120.950 120.200 0.066 0.000 2.051 481 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 481 E C 2.461 179.093 176.600 0.054 0.000 0.991 481 E CA 0.927 57.373 56.400 0.077 0.000 0.799 481 E CB -0.455 29.340 29.700 0.158 0.000 0.748 481 E HN 0.507 nan 8.360 nan 0.000 0.449 482 I N 0.895 121.506 120.570 0.068 0.000 2.208 482 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 482 I C 2.028 178.163 176.117 0.029 0.000 1.097 482 I CA 1.198 62.526 61.300 0.046 0.000 1.363 482 I CB -0.413 37.633 38.000 0.076 0.000 1.051 482 I HN 0.187 nan 8.210 nan 0.000 0.413 483 N N 0.545 119.263 118.700 0.030 0.000 2.216 483 N HA -0.167 4.573 4.740 -0.000 0.000 0.183 483 N C 1.930 177.440 175.510 0.000 0.000 1.017 483 N CA 0.967 54.028 53.050 0.018 0.000 0.861 483 N CB -0.299 38.200 38.487 0.020 0.000 0.986 483 N HN 0.369 nan 8.380 nan 0.000 0.428 484 R N 1.114 121.608 120.500 -0.010 0.000 2.073 484 R HA -0.047 4.293 4.340 -0.000 0.000 0.234 484 R C 1.998 178.260 176.300 -0.063 0.000 1.134 484 R CA 1.010 57.086 56.100 -0.039 0.000 0.952 484 R CB -0.171 30.099 30.300 -0.050 0.000 0.850 484 R HN -0.073 nan 8.270 nan 0.000 0.433 485 V N 1.191 121.073 119.914 -0.054 0.000 2.237 485 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 485 V C 2.525 178.595 176.094 -0.040 0.000 1.046 485 V CA 2.033 64.291 62.300 -0.070 0.000 1.007 485 V CB -0.941 30.867 31.823 -0.025 0.000 0.638 485 V HN 0.585 nan 8.190 nan 0.000 0.445 486 A N -0.495 122.320 122.820 -0.008 0.000 1.892 486 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 486 A C 2.579 180.166 177.584 0.006 0.000 1.188 486 A CA 2.596 54.640 52.037 0.012 0.000 0.631 486 A CB -0.975 18.040 19.000 0.024 0.000 0.822 486 A HN 0.516 nan 8.150 nan 0.000 0.447 487 S N -1.302 114.395 115.700 -0.005 0.000 2.359 487 S HA -0.227 4.242 4.470 -0.000 0.000 0.224 487 S C 2.110 176.703 174.600 -0.012 0.000 1.035 487 S CA 1.704 59.902 58.200 -0.005 0.000 1.018 487 S CB -1.020 62.173 63.200 -0.011 0.000 0.876 487 S HN 0.812 nan 8.310 nan 0.000 0.448 488 C N 1.538 120.813 119.300 -0.041 0.000 2.429 488 C HA 0.031 4.491 4.460 -0.000 0.000 0.277 488 C C 2.514 177.485 174.990 -0.032 0.000 1.262 488 C CA 0.995 59.979 59.018 -0.058 0.000 1.733 488 C CB -1.764 25.899 27.740 -0.128 0.000 2.010 488 C HN 0.698 nan 8.230 nan 0.000 0.483 489 L N 0.425 121.635 121.223 -0.022 0.000 2.083 489 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 489 L C 3.013 179.888 176.870 0.008 0.000 1.083 489 L CA 1.707 56.550 54.840 0.005 0.000 0.752 489 L CB -0.851 41.234 42.059 0.044 0.000 0.899 489 L HN 0.384 nan 8.230 nan 0.000 0.433 490 R N 0.443 120.956 120.500 0.023 0.000 2.066 490 R HA -0.166 4.174 4.340 -0.000 0.000 0.232 490 R C 2.344 178.695 176.300 0.085 0.000 1.131 490 R CA 1.273 57.399 56.100 0.043 0.000 0.955 490 R CB -0.322 30.006 30.300 0.048 0.000 0.851 490 R HN 0.288 nan 8.270 nan 0.000 0.432 491 K N 1.305 121.752 120.400 0.079 0.000 2.032 491 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 491 K C 1.871 178.610 176.600 0.233 0.000 1.048 491 K CA 1.371 57.734 56.287 0.127 0.000 0.927 491 K CB -0.037 32.501 32.500 0.064 0.000 0.712 491 K HN 0.150 nan 8.250 nan 0.000 0.441 492 L N -0.386 120.891 121.223 0.090 0.000 2.492 492 L HA 0.107 4.447 4.340 -0.000 0.000 0.223 492 L C 0.974 177.649 176.870 -0.324 0.000 1.132 492 L CA 0.499 55.359 54.840 0.034 0.000 0.850 492 L CB 0.046 42.106 42.059 0.002 0.000 0.966 492 L HN 0.632 nan 8.230 nan 0.000 0.454 493 G N 0.848 109.360 108.800 -0.480 0.000 2.225 493 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.264 493 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.264 493 G C -0.009 174.756 174.900 -0.225 0.000 1.060 493 G CA 0.032 44.752 45.100 -0.635 0.000 0.833 493 G HN 0.099 nan 8.290 nan 0.000 0.498 494 V N 0.872 120.744 119.914 -0.070 0.000 2.546 494 V HA 0.401 4.521 4.120 -0.000 0.000 0.284 494 V C -1.191 174.998 176.094 0.158 0.000 1.050 494 V CA -1.549 60.804 62.300 0.089 0.000 0.981 494 V CB 1.482 33.375 31.823 0.118 0.000 0.990 494 V HN 0.165 nan 8.190 nan 0.000 0.474 495 P HA 0.074 nan 4.420 nan 0.000 0.265 495 P C -2.430 175.009 177.300 0.232 0.000 1.187 495 P CA -0.607 62.534 63.100 0.067 0.000 0.766 495 P CB -0.190 31.343 31.700 -0.279 0.000 0.820 496 P HA 0.013 nan 4.420 nan 0.000 0.269 496 P C 0.952 178.431 177.300 0.299 0.000 1.215 496 P CA 0.145 63.349 63.100 0.173 0.000 0.780 496 P CB 0.702 32.455 31.700 0.088 0.000 0.898 497 L N 1.721 123.131 121.223 0.312 0.000 2.137 497 L HA -0.252 4.088 4.340 -0.000 0.000 0.213 497 L C 2.846 179.917 176.870 0.334 0.000 1.085 497 L CA 1.994 57.050 54.840 0.360 0.000 0.760 497 L CB -0.856 41.313 42.059 0.184 0.000 0.893 497 L HN 0.503 nan 8.230 nan 0.000 0.434 498 R N 0.526 121.157 120.500 0.218 0.000 2.120 498 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 498 R C 2.227 178.621 176.300 0.156 0.000 1.123 498 R CA 1.248 57.456 56.100 0.180 0.000 0.975 498 R CB -0.659 29.708 30.300 0.111 0.000 0.866 498 R HN 0.246 nan 8.270 nan 0.000 0.446 499 A N 0.924 123.790 122.820 0.076 0.000 1.968 499 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 499 A C 1.587 179.123 177.584 -0.080 0.000 1.169 499 A CA 0.779 52.774 52.037 -0.070 0.000 0.638 499 A CB -0.814 18.044 19.000 -0.237 0.000 0.812 499 A HN 0.559 nan 8.150 nan 0.000 0.446 500 W N -0.312 121.098 121.300 0.183 0.000 2.467 500 W HA 0.042 4.702 4.660 -0.000 0.000 0.275 500 W C 2.433 179.158 176.519 0.343 0.000 1.239 500 W CA 1.008 58.499 57.345 0.243 0.000 1.266 500 W CB -0.028 29.572 29.460 0.234 0.000 1.112 500 W HN 0.280 nan 8.180 nan 0.000 0.576 501 R N -0.071 120.744 120.500 0.526 0.000 2.081 501 R HA -0.230 4.110 4.340 -0.000 0.000 0.235 501 R C 2.089 178.515 176.300 0.210 0.000 1.131 501 R CA 2.127 58.495 56.100 0.446 0.000 0.960 501 R CB -0.706 29.828 30.300 0.389 0.000 0.856 501 R HN 0.254 nan 8.270 nan 0.000 0.436 502 H N 0.299 119.423 119.070 0.090 0.000 2.353 502 H HA -0.044 4.512 4.556 -0.000 0.000 0.300 502 H C 2.006 177.323 175.328 -0.018 0.000 1.090 502 H CA 2.132 58.183 56.048 0.006 0.000 1.327 502 H CB 0.129 29.878 29.762 -0.020 0.000 1.383 502 H HN 0.155 nan 8.280 nan 0.000 0.508 503 R N -0.172 120.323 120.500 -0.009 0.000 2.075 503 R HA -0.012 4.328 4.340 -0.000 0.000 0.232 503 R C 2.617 178.863 176.300 -0.089 0.000 1.126 503 R CA 0.945 57.004 56.100 -0.069 0.000 0.963 503 R CB -0.313 30.008 30.300 0.034 0.000 0.858 503 R HN 0.391 nan 8.270 nan 0.000 0.435 504 A N 1.481 124.316 122.820 0.025 0.000 1.908 504 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 504 A C 2.111 179.450 177.584 -0.407 0.000 1.181 504 A CA 1.355 53.301 52.037 -0.151 0.000 0.627 504 A CB -0.385 18.655 19.000 0.067 0.000 0.818 504 A HN 0.222 nan 8.150 nan 0.000 0.445 505 R N -0.640 119.677 120.500 -0.306 0.000 2.081 505 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 505 R C 2.235 178.353 176.300 -0.304 0.000 1.131 505 R CA 1.672 57.592 56.100 -0.301 0.000 0.960 505 R CB -0.466 29.700 30.300 -0.224 0.000 0.856 505 R HN 0.781 nan 8.270 nan 0.000 0.436 506 N N 0.223 118.732 118.700 -0.318 0.000 2.106 506 N HA -0.140 4.599 4.740 -0.000 0.000 0.188 506 N C 1.580 176.935 175.510 -0.259 0.000 1.029 506 N CA 1.225 54.112 53.050 -0.271 0.000 0.848 506 N CB 0.013 38.332 38.487 -0.281 0.000 1.007 506 N HN -0.062 nan 8.380 nan 0.000 0.423 507 V N 0.982 120.703 119.914 -0.323 0.000 2.343 507 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 507 V C 2.571 178.394 176.094 -0.451 0.000 1.051 507 V CA 1.914 63.998 62.300 -0.360 0.000 1.036 507 V CB -0.750 30.803 31.823 -0.450 0.000 0.654 507 V HN 0.407 nan 8.190 nan 0.000 0.451 508 R N 0.305 120.439 120.500 -0.610 0.000 2.083 508 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 508 R C 2.291 178.454 176.300 -0.228 0.000 1.137 508 R CA 1.866 57.702 56.100 -0.440 0.000 0.951 508 R CB -0.478 29.601 30.300 -0.369 0.000 0.851 508 R HN 0.474 nan 8.270 nan 0.000 0.434 509 A N 1.107 123.804 122.820 -0.206 0.000 1.902 509 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 509 A C 2.202 179.723 177.584 -0.104 0.000 1.181 509 A CA 1.558 53.514 52.037 -0.136 0.000 0.623 509 A CB -0.443 18.481 19.000 -0.128 0.000 0.818 509 A HN 0.398 nan 8.150 nan 0.000 0.443 510 R N -0.565 119.869 120.500 -0.111 0.000 2.096 510 R HA -0.011 4.329 4.340 -0.000 0.000 0.235 510 R C 1.996 178.272 176.300 -0.041 0.000 1.127 510 R CA 1.372 57.431 56.100 -0.068 0.000 0.968 510 R CB -0.469 29.793 30.300 -0.064 0.000 0.861 510 R HN 0.505 nan 8.270 nan 0.000 0.440 511 L N 0.321 121.511 121.223 -0.055 0.000 2.109 511 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 511 L C 2.223 179.086 176.870 -0.011 0.000 1.086 511 L CA 1.013 55.846 54.840 -0.012 0.000 0.760 511 L CB -0.310 41.736 42.059 -0.023 0.000 0.910 511 L HN 0.193 nan 8.230 nan 0.000 0.437 512 L N -0.388 120.814 121.223 -0.035 0.000 2.191 512 L HA -0.160 4.179 4.340 -0.000 0.000 0.212 512 L C 2.639 179.497 176.870 -0.019 0.000 1.103 512 L CA 1.333 56.156 54.840 -0.028 0.000 0.769 512 L CB -0.466 41.565 42.059 -0.047 0.000 0.908 512 L HN 0.386 nan 8.230 nan 0.000 0.438 513 S N -1.049 114.637 115.700 -0.023 0.000 2.607 513 S HA 0.039 4.508 4.470 -0.000 0.000 0.224 513 S C 1.016 175.614 174.600 -0.002 0.000 0.969 513 S CA -0.172 58.018 58.200 -0.016 0.000 0.927 513 S CB 0.021 63.208 63.200 -0.022 0.000 0.772 513 S HN 0.315 nan 8.310 nan 0.000 0.533 514 R N -0.158 120.346 120.500 0.007 0.000 2.797 514 R HA 0.671 5.011 4.340 -0.000 0.000 0.251 514 R C 0.522 176.836 176.300 0.023 0.000 1.107 514 R CA -0.384 55.728 56.100 0.020 0.000 1.084 514 R CB 0.744 31.065 30.300 0.036 0.000 1.205 514 R HN 0.293 nan 8.270 nan 0.000 0.515 515 G N -1.021 107.796 108.800 0.029 0.000 2.477 515 G HA2 0.450 4.410 3.960 -0.000 0.000 0.304 515 G HA3 0.450 4.410 3.960 -0.000 0.000 0.304 515 G C 0.291 175.212 174.900 0.034 0.000 1.175 515 G CA 0.014 45.130 45.100 0.027 0.000 0.907 515 G HN 0.713 nan 8.290 nan 0.000 0.509 516 G N 1.046 109.863 108.800 0.028 0.000 2.651 516 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.315 516 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.315 516 G C 1.440 176.361 174.900 0.034 0.000 1.258 516 G CA 0.960 46.078 45.100 0.029 0.000 1.002 516 G HN 0.831 nan 8.290 nan 0.000 0.551 517 R N 0.823 121.348 120.500 0.041 0.000 2.159 517 R HA 0.067 4.407 4.340 -0.000 0.000 0.237 517 R C 3.116 179.458 176.300 0.069 0.000 1.131 517 R CA 1.815 57.944 56.100 0.048 0.000 0.982 517 R CB -0.514 29.824 30.300 0.063 0.000 0.868 517 R HN 0.646 nan 8.270 nan 0.000 0.453 518 A N 1.371 124.240 122.820 0.081 0.000 1.902 518 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 518 A C 2.379 179.995 177.584 0.054 0.000 1.181 518 A CA 1.624 53.718 52.037 0.095 0.000 0.623 518 A CB -0.544 18.513 19.000 0.096 0.000 0.818 518 A HN 0.386 nan 8.150 nan 0.000 0.443 519 A N -0.302 122.542 122.820 0.041 0.000 1.968 519 A HA 0.030 4.350 4.320 -0.000 0.000 0.217 519 A C 1.925 179.535 177.584 0.042 0.000 1.169 519 A CA 1.355 53.408 52.037 0.027 0.000 0.638 519 A CB -0.389 18.623 19.000 0.021 0.000 0.812 519 A HN 0.402 nan 8.150 nan 0.000 0.446 520 I N -0.321 120.282 120.570 0.055 0.000 2.394 520 I HA -0.210 3.960 4.170 -0.000 0.000 0.251 520 I C 2.411 178.575 176.117 0.080 0.000 1.136 520 I CA 0.852 62.208 61.300 0.093 0.000 1.425 520 I CB -1.624 36.373 38.000 -0.005 0.000 1.079 520 I HN 0.349 nan 8.210 nan 0.000 0.425 521 C N 0.874 120.181 119.300 0.013 0.000 2.466 521 C HA -0.008 4.452 4.460 -0.000 0.000 0.278 521 C C 3.037 178.011 174.990 -0.026 0.000 1.288 521 C CA 0.933 59.907 59.018 -0.073 0.000 1.722 521 C CB -1.527 26.117 27.740 -0.161 0.000 2.017 521 C HN 0.610 nan 8.230 nan 0.000 0.488 522 G N 0.229 109.048 108.800 0.031 0.000 2.418 522 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 522 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 522 G C 1.644 176.579 174.900 0.058 0.000 1.158 522 G CA 1.110 46.267 45.100 0.094 0.000 0.771 522 G HN 0.633 nan 8.290 nan 0.000 0.545 523 K N -0.857 119.539 120.400 -0.007 0.000 2.001 523 K HA -0.049 4.271 4.320 -0.000 0.000 0.208 523 K C 2.224 178.666 176.600 -0.263 0.000 1.048 523 K CA 1.050 57.261 56.287 -0.126 0.000 0.932 523 K CB -0.274 32.143 32.500 -0.138 0.000 0.715 523 K HN 0.370 nan 8.250 nan 0.000 0.437 524 Y N 0.919 121.046 120.300 -0.288 0.000 2.206 524 Y HA -0.015 4.534 4.550 -0.000 0.000 0.292 524 Y C 2.027 177.671 175.900 -0.427 0.000 1.123 524 Y CA 0.889 58.656 58.100 -0.555 0.000 1.142 524 Y CB -0.083 37.761 38.460 -1.028 0.000 1.006 524 Y HN -0.033 nan 8.280 nan 0.000 0.518 525 L N -1.838 119.269 121.223 -0.194 0.000 2.217 525 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 525 L C 0.704 177.320 176.870 -0.424 0.000 1.107 525 L CA 1.264 55.932 54.840 -0.288 0.000 0.783 525 L CB -0.361 41.318 42.059 -0.634 0.000 0.919 525 L HN 0.172 nan 8.230 nan 0.000 0.442 526 F N -1.555 118.356 119.950 -0.065 0.000 2.735 526 F HA 0.188 4.715 4.527 -0.000 0.000 0.304 526 F C 1.570 177.051 175.800 -0.531 0.000 1.119 526 F CA -0.366 57.387 58.000 -0.412 0.000 1.280 526 F CB -0.351 38.414 39.000 -0.392 0.000 0.994 526 F HN -0.079 nan 8.300 nan 0.000 0.520 527 N N 1.178 119.794 118.700 -0.140 0.000 2.289 527 N HA -0.188 4.552 4.740 -0.000 0.000 0.184 527 N C 1.946 177.415 175.510 -0.069 0.000 1.016 527 N CA 1.551 54.534 53.050 -0.112 0.000 0.872 527 N CB -0.163 38.280 38.487 -0.074 0.000 0.973 527 N HN 0.541 nan 8.380 nan 0.000 0.433 528 W N -0.498 120.842 121.300 0.067 0.000 2.465 528 W HA 0.159 4.819 4.660 -0.000 0.000 0.268 528 W C 1.241 177.818 176.519 0.098 0.000 1.242 528 W CA 0.640 58.032 57.345 0.079 0.000 1.248 528 W CB -0.820 28.701 29.460 0.102 0.000 1.118 528 W HN 0.044 nan 8.180 nan 0.000 0.587 529 A N 1.445 123.812 122.820 -0.755 0.000 2.169 529 A HA 0.221 4.541 4.320 -0.000 0.000 0.212 529 A C 0.922 178.357 177.584 -0.249 0.000 1.153 529 A CA 1.127 52.757 52.037 -0.678 0.000 0.756 529 A CB -0.765 17.602 19.000 -1.055 0.000 0.813 529 A HN 0.156 nan 8.150 nan 0.000 0.471 530 V N -4.083 115.727 119.914 -0.174 0.000 2.680 530 V HA 0.461 4.581 4.120 -0.000 0.000 0.309 530 V C 0.548 176.613 176.094 -0.049 0.000 1.052 530 V CA -0.916 61.324 62.300 -0.101 0.000 0.908 530 V CB 1.657 33.410 31.823 -0.116 0.000 1.001 530 V HN 0.243 nan 8.190 nan 0.000 0.431 531 K N 1.054 121.435 120.400 -0.032 0.000 2.103 531 K HA 0.036 4.356 4.320 -0.000 0.000 0.204 531 K C 0.664 177.244 176.600 -0.033 0.000 1.052 531 K CA 1.378 57.653 56.287 -0.020 0.000 0.945 531 K CB -0.069 32.425 32.500 -0.011 0.000 0.722 531 K HN 0.800 nan 8.250 nan 0.000 0.443 532 T N 2.814 117.343 114.554 -0.042 0.000 3.176 532 T HA 0.147 4.496 4.350 -0.000 0.000 0.301 532 T C -0.298 174.366 174.700 -0.059 0.000 1.115 532 T CA -0.228 61.844 62.100 -0.046 0.000 1.027 532 T CB 0.288 69.129 68.868 -0.045 0.000 1.063 532 T HN -0.089 nan 8.240 nan 0.000 0.669 533 K N 2.589 122.955 120.400 -0.057 0.000 2.436 533 K HA 0.300 4.620 4.320 -0.000 0.000 0.275 533 K C 0.185 176.736 176.600 -0.081 0.000 0.999 533 K CA -0.033 56.213 56.287 -0.069 0.000 0.980 533 K CB 0.321 32.786 32.500 -0.057 0.000 0.919 533 K HN 0.465 nan 8.250 nan 0.000 0.484 534 L N 1.934 123.090 121.223 -0.112 0.000 2.387 534 L HA 0.346 4.686 4.340 -0.000 0.000 0.266 534 L C 0.485 177.270 176.870 -0.142 0.000 1.059 534 L CA -0.823 53.939 54.840 -0.130 0.000 0.801 534 L CB 1.101 43.056 42.059 -0.173 0.000 1.223 534 L HN 0.484 nan 8.230 nan 0.000 0.456 535 K N 2.428 122.754 120.400 -0.123 0.000 2.310 535 K HA 0.287 4.607 4.320 -0.000 0.000 0.290 535 K C -0.829 175.680 176.600 -0.153 0.000 1.077 535 K CA -0.339 55.889 56.287 -0.099 0.000 0.922 535 K CB 0.279 32.748 32.500 -0.053 0.000 1.057 535 K HN 0.480 nan 8.250 nan 0.000 0.479 536 L N 6.152 127.283 121.223 -0.154 0.000 2.358 536 L HA 0.131 4.471 4.340 -0.000 0.000 0.274 536 L C 0.624 177.555 176.870 0.102 0.000 1.136 536 L CA -0.620 54.106 54.840 -0.190 0.000 0.970 536 L CB -0.039 41.913 42.059 -0.179 0.000 1.314 536 L HN 0.727 nan 8.230 nan 0.000 0.427 537 T N -0.048 114.594 114.554 0.147 0.000 2.847 537 T HA 0.415 4.765 4.350 -0.000 0.000 0.279 537 T C -2.421 172.413 174.700 0.223 0.000 0.984 537 T CA -2.005 60.190 62.100 0.157 0.000 0.988 537 T CB 0.887 69.817 68.868 0.103 0.000 1.040 537 T HN 0.126 nan 8.240 nan 0.000 0.528 538 P HA 0.167 nan 4.420 nan 0.000 0.264 538 P C -0.238 177.086 177.300 0.039 0.000 1.193 538 P CA -0.066 63.089 63.100 0.091 0.000 0.763 538 P CB 0.080 31.814 31.700 0.056 0.000 0.810 539 I N 2.250 122.785 120.570 -0.059 0.000 2.598 539 I HA 0.077 4.247 4.170 -0.000 0.000 0.284 539 I C 1.215 177.287 176.117 -0.074 0.000 1.140 539 I CA -0.097 61.111 61.300 -0.155 0.000 1.420 539 I CB 0.330 38.135 38.000 -0.324 0.000 1.387 539 I HN 0.400 nan 8.210 nan 0.000 0.553 550 W N 2.346 123.481 121.300 -0.275 0.000 2.467 550 W HA 0.456 5.116 4.660 -0.000 0.000 0.275 550 W C 0.309 176.313 176.519 -0.858 0.000 1.239 550 W CA 0.200 57.105 57.345 -0.733 0.000 1.266 550 W CB -0.468 28.165 29.460 -1.379 0.000 1.112 550 W HN 0.378 nan 8.180 nan 0.000 0.576 551 F N -0.395 119.724 119.950 0.282 0.000 2.523 551 F HA 0.295 4.821 4.527 -0.000 0.000 0.322 551 F C 0.827 176.789 175.800 0.269 0.000 1.361 551 F CA -0.184 57.989 58.000 0.288 0.000 1.151 551 F CB 0.341 39.442 39.000 0.170 0.000 1.391 551 F HN -0.392 nan 8.300 nan 0.000 0.566 552 T N -0.327 114.464 114.554 0.395 0.000 3.098 552 T HA 0.585 4.934 4.350 -0.000 0.000 0.246 552 T C 0.555 175.426 174.700 0.285 0.000 0.983 552 T CA 0.387 62.656 62.100 0.281 0.000 1.094 552 T CB 0.579 69.587 68.868 0.232 0.000 1.035 552 T HN 0.323 nan 8.240 nan 0.000 0.456 553 A N 0.328 123.293 122.820 0.240 0.000 2.593 553 A HA 0.773 5.093 4.320 -0.000 0.000 0.290 553 A C -0.399 176.903 177.584 -0.469 0.000 1.126 553 A CA -0.396 51.631 52.037 -0.016 0.000 0.695 553 A CB 0.858 19.703 19.000 -0.258 0.000 1.290 553 A HN 0.330 nan 8.150 nan 0.000 0.414 554 G N -1.426 106.763 108.800 -1.019 0.000 2.389 554 G HA2 0.545 4.504 3.960 -0.000 0.000 0.317 554 G HA3 0.545 4.504 3.960 -0.000 0.000 0.317 554 G C -0.855 173.359 174.900 -1.143 0.000 1.137 554 G CA -0.105 44.073 45.100 -1.538 0.000 0.870 554 G HN 0.637 nan 8.290 nan 0.000 0.496 555 Y N 0.185 120.264 120.300 -0.368 0.000 2.809 555 Y HA 0.246 4.796 4.550 -0.000 0.000 0.251 555 Y C 1.195 177.010 175.900 -0.141 0.000 1.136 555 Y CA -0.679 57.304 58.100 -0.196 0.000 1.185 555 Y CB 0.411 38.784 38.460 -0.145 0.000 1.260 555 Y HN 0.382 nan 8.280 nan 0.000 0.576 556 S N 0.953 116.622 115.700 -0.053 0.000 2.563 556 S HA 0.258 4.728 4.470 -0.000 0.000 0.294 556 S C 1.380 175.997 174.600 0.028 0.000 1.279 556 S CA 1.244 59.446 58.200 0.002 0.000 1.069 556 S CB 0.304 63.510 63.200 0.009 0.000 0.828 556 S HN 0.921 nan 8.310 nan 0.000 0.497 557 G N 2.830 111.652 108.800 0.036 0.000 2.175 557 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.265 557 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.265 557 G C 0.767 175.699 174.900 0.053 0.000 0.979 557 G CA 0.315 45.443 45.100 0.047 0.000 0.663 557 G HN 1.075 nan 8.290 nan 0.000 0.533 558 G N -0.303 108.531 108.800 0.058 0.000 2.985 558 G HA2 0.374 4.334 3.960 -0.000 0.000 0.209 558 G HA3 0.374 4.334 3.960 -0.000 0.000 0.209 558 G C 0.513 175.439 174.900 0.043 0.000 1.165 558 G CA 1.096 46.245 45.100 0.083 0.000 0.776 558 G HN 1.112 nan 8.290 nan 0.000 0.541 559 D N -0.350 120.044 120.400 -0.009 0.000 2.689 559 D HA -0.166 4.473 4.640 -0.000 0.000 0.237 559 D C -0.054 176.200 176.300 -0.077 0.000 1.148 559 D CA 0.371 54.344 54.000 -0.046 0.000 0.656 559 D CB -1.159 39.624 40.800 -0.027 0.000 1.050 559 D HN 0.113 nan 8.370 nan 0.000 0.426 560 I N 1.226 121.712 120.570 -0.141 0.000 2.412 560 I HA 0.336 4.506 4.170 -0.000 0.000 0.296 560 I C -0.062 175.861 176.117 -0.324 0.000 0.987 560 I CA -0.762 60.367 61.300 -0.284 0.000 1.180 560 I CB 1.251 38.936 38.000 -0.525 0.000 1.340 560 I HN 0.116 nan 8.210 nan 0.000 0.455 561 Y N 5.943 125.981 120.300 -0.436 0.000 2.332 561 Y HA 0.438 4.987 4.550 -0.000 0.000 0.326 561 Y C -0.355 175.337 175.900 -0.346 0.000 0.978 561 Y CA -0.390 57.471 58.100 -0.398 0.000 1.205 561 Y CB 0.960 39.274 38.460 -0.243 0.000 1.131 561 Y HN 0.628 nan 8.280 nan 0.000 0.462 562 H N 0.000 118.513 119.070 -0.928 0.000 2.539 562 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 562 H CA 0.000 55.591 56.048 -0.762 0.000 1.023 562 H CB 0.000 29.256 29.762 -0.844 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496