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 2oji_1_A DATA FIRST_RESID 13 DATA SEQUENCE RGQVFDVGPR YTNLSYIGEG AYGMVCSAYD NVNKVRVAIK KISPFEHQTY DATA SEQUENCE CQRTLREIKI LLRFRHENII GINDIIRAPT IEQMKDVYIV QDLMETDLYK DATA SEQUENCE LLKTQHLSND HICYFLYQIL RGLKYIHSAN VLHRDLKPSN LLLNTTCDLK DATA SEQUENCE ICDFGLARVA DPDHDHTGFL TEYVATRWYR APEIMLNSKG YTKSIDIWSV DATA SEQUENCE GCILAEMLSN RPIFPGKHYL DQLNHILGIL GSPSQEDLNC IINLKARNYL DATA SEQUENCE LSLPHKNKVP WNRLFPNADS KALDLLDKML TFNPHKRIEV EQALAHPYLE DATA SEQUENCE QYYDPSDEPI AEAPFKFDME LDDLPKEKLK ELIFEETARF QPGY 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.322 176.300 0.037 0.000 0.893 13 R CA 0.000 56.108 56.100 0.014 0.000 0.921 13 R CB 0.000 30.295 30.300 -0.009 0.000 0.687 14 G N 1.568 110.370 108.800 0.004 0.000 5.059 14 G HA2 -0.461 3.498 3.960 -0.001 0.000 0.336 14 G HA3 -0.461 3.498 3.960 -0.001 0.000 0.336 14 G C -0.167 174.762 174.900 0.047 0.000 1.364 14 G CA 1.265 46.371 45.100 0.011 0.000 1.020 14 G HN 0.859 nan 8.290 nan 0.000 0.807 15 Q N -0.954 118.901 119.800 0.092 0.000 3.156 15 Q HA 0.774 5.113 4.340 -0.001 0.000 0.301 15 Q C -0.133 175.963 176.000 0.159 0.000 1.026 15 Q CA -0.653 55.214 55.803 0.106 0.000 0.827 15 Q CB 1.316 30.114 28.738 0.100 0.000 1.490 15 Q HN 0.736 nan 8.270 nan 0.000 0.492 16 V N 1.257 121.265 119.914 0.157 0.000 2.585 16 V HA 0.130 4.250 4.120 -0.001 0.000 0.296 16 V C -0.840 175.440 176.094 0.310 0.000 1.035 16 V CA 0.501 62.913 62.300 0.186 0.000 1.084 16 V CB -0.202 31.702 31.823 0.134 0.000 0.953 16 V HN 0.622 nan 8.190 nan 0.000 0.483 17 F N 3.827 123.844 119.950 0.112 0.000 2.686 17 F HA 0.376 4.903 4.527 0.000 0.000 0.365 17 F C 0.073 175.860 175.800 -0.021 0.000 1.196 17 F CA -0.980 57.099 58.000 0.131 0.000 1.198 17 F CB 0.985 40.042 39.000 0.095 0.000 1.454 17 F HN 0.519 nan 8.300 nan 0.000 0.539 18 D N 3.322 123.619 120.400 -0.170 0.000 2.631 18 D HA 0.123 4.762 4.640 -0.001 0.000 0.227 18 D C 0.874 176.817 176.300 -0.595 0.000 1.146 18 D CA 0.143 54.008 54.000 -0.226 0.000 1.009 18 D CB 0.509 41.279 40.800 -0.050 0.000 1.057 18 D HN 0.277 nan 8.370 nan 0.000 0.509 19 V N 0.628 120.226 119.914 -0.527 0.000 3.499 19 V HA 0.524 4.644 4.120 -0.001 0.000 0.308 19 V C 1.124 177.147 176.094 -0.117 0.000 1.319 19 V CA 0.231 62.219 62.300 -0.521 0.000 1.194 19 V CB -0.892 30.729 31.823 -0.338 0.000 1.072 19 V HN 0.461 nan 8.190 nan 0.000 0.426 20 G N 1.681 110.426 108.800 -0.091 0.000 2.741 20 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.222 20 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.222 20 G C -0.994 173.918 174.900 0.021 0.000 1.364 20 G CA -0.022 45.070 45.100 -0.014 0.000 0.866 20 G HN 0.408 nan 8.290 nan 0.000 0.555 21 P HA -0.013 nan 4.420 nan 0.000 0.220 21 P C 1.575 178.847 177.300 -0.048 0.000 1.152 21 P CA 1.089 64.184 63.100 -0.008 0.000 0.812 21 P CB 0.020 31.710 31.700 -0.015 0.000 0.792 22 R N -0.628 119.793 120.500 -0.132 0.000 2.235 22 R HA -0.034 4.305 4.340 -0.001 0.000 0.213 22 R C -0.188 175.783 176.300 -0.548 0.000 1.059 22 R CA 0.634 56.516 56.100 -0.364 0.000 0.997 22 R CB -0.110 29.871 30.300 -0.531 0.000 0.884 22 R HN 0.221 nan 8.270 nan 0.000 0.462 23 Y N -0.295 120.008 120.300 0.005 0.000 2.350 23 Y HA 0.280 4.828 4.550 -0.002 0.000 0.338 23 Y C 0.213 176.153 175.900 0.067 0.000 0.961 23 Y CA -0.743 57.376 58.100 0.031 0.000 1.100 23 Y CB 2.105 40.571 38.460 0.010 0.000 1.179 23 Y HN -0.101 nan 8.280 nan 0.000 0.454 24 T N -0.873 113.828 114.554 0.246 0.000 2.865 24 T HA 0.470 4.819 4.350 -0.001 0.000 0.294 24 T C -0.708 174.096 174.700 0.173 0.000 1.119 24 T CA -1.301 60.907 62.100 0.180 0.000 1.007 24 T CB 1.626 70.576 68.868 0.136 0.000 1.225 24 T HN 0.720 nan 8.240 nan 0.000 0.515 25 N N 0.780 119.543 118.700 0.104 0.000 2.643 25 N HA -0.114 4.626 4.740 -0.001 0.000 0.267 25 N C -0.862 174.688 175.510 0.066 0.000 1.158 25 N CA 0.003 53.094 53.050 0.068 0.000 0.684 25 N CB -1.049 37.468 38.487 0.051 0.000 0.879 25 N HN 0.600 nan 8.380 nan 0.000 0.553 26 L N 0.805 122.053 121.223 0.042 0.000 2.349 26 L HA 0.370 4.710 4.340 -0.001 0.000 0.275 26 L C 0.884 177.730 176.870 -0.039 0.000 1.115 26 L CA 0.141 54.973 54.840 -0.014 0.000 0.820 26 L CB 1.491 43.516 42.059 -0.057 0.000 1.135 26 L HN 0.242 nan 8.230 nan 0.000 0.445 27 S N 2.313 117.976 115.700 -0.062 0.000 2.594 27 S HA 0.338 4.807 4.470 -0.001 0.000 0.296 27 S C -0.840 173.727 174.600 -0.056 0.000 1.124 27 S CA -0.576 57.606 58.200 -0.031 0.000 1.011 27 S CB 0.753 63.952 63.200 -0.002 0.000 1.016 27 S HN 0.384 nan 8.310 nan 0.000 0.485 28 Y N 6.042 126.261 120.300 -0.135 0.000 2.610 28 Y HA 0.228 4.777 4.550 -0.001 0.000 0.332 28 Y C 0.728 176.574 175.900 -0.090 0.000 1.201 28 Y CA 0.460 58.476 58.100 -0.140 0.000 1.465 28 Y CB 0.357 38.754 38.460 -0.106 0.000 1.283 28 Y HN 0.667 nan 8.280 nan 0.000 0.563 29 I N 3.223 123.435 120.570 -0.596 0.000 3.812 29 I HA 0.388 4.557 4.170 -0.001 0.000 0.292 29 I C 0.940 176.784 176.117 -0.455 0.000 1.206 29 I CA 1.046 62.135 61.300 -0.353 0.000 1.370 29 I CB -0.052 37.799 38.000 -0.247 0.000 1.328 29 I HN 0.755 nan 8.210 nan 0.000 0.453 30 G N 1.304 109.573 108.800 -0.885 0.000 2.328 30 G HA2 0.374 4.334 3.960 -0.001 0.000 0.299 30 G HA3 0.374 4.334 3.960 -0.001 0.000 0.299 30 G C -0.999 173.668 174.900 -0.388 0.000 1.435 30 G CA -0.059 44.751 45.100 -0.484 0.000 0.865 30 G HN 0.259 nan 8.290 nan 0.000 0.601 31 E N -1.422 118.698 120.200 -0.133 0.000 2.909 31 E HA 0.846 5.195 4.350 -0.001 0.000 0.119 31 E C 0.529 177.092 176.600 -0.062 0.000 1.056 31 E CA -0.421 55.932 56.400 -0.078 0.000 0.788 31 E CB 1.259 30.970 29.700 0.019 0.000 2.111 31 E HN 2.205 nan 8.360 nan 0.000 0.447 32 G N -0.015 108.756 108.800 -0.048 0.000 2.356 32 G HA2 0.420 4.379 3.960 -0.001 0.000 0.266 32 G HA3 0.420 4.379 3.960 -0.001 0.000 0.266 32 G C -1.381 173.469 174.900 -0.085 0.000 1.312 32 G CA -0.457 44.603 45.100 -0.067 0.000 0.922 32 G HN 0.812 nan 8.290 nan 0.000 0.480 33 A N -1.438 121.318 122.820 -0.107 0.000 2.351 33 A HA 0.670 4.989 4.320 -0.001 0.000 0.257 33 A C 1.550 178.955 177.584 -0.298 0.000 1.087 33 A CA 1.225 53.166 52.037 -0.160 0.000 0.798 33 A CB -0.717 18.221 19.000 -0.103 0.000 1.033 33 A HN 2.745 nan 8.150 nan 0.000 0.488 34 Y N -0.820 119.196 120.300 -0.473 0.000 3.553 34 Y HA -0.008 4.541 4.550 -0.001 0.000 0.214 34 Y C 1.165 176.851 175.900 -0.356 0.000 1.123 34 Y CA 1.373 59.124 58.100 -0.582 0.000 1.394 34 Y CB -1.676 36.141 38.460 -1.073 0.000 1.376 34 Y HN 2.310 nan 8.280 nan 0.000 0.615 35 G N -2.000 106.660 108.800 -0.233 0.000 2.682 35 G HA2 0.763 4.722 3.960 -0.001 0.000 0.290 35 G HA3 0.763 4.722 3.960 -0.001 0.000 0.290 35 G C -0.897 173.951 174.900 -0.087 0.000 1.425 35 G CA -0.480 44.519 45.100 -0.169 0.000 0.807 35 G HN 1.201 nan 8.290 nan 0.000 0.482 36 M N 0.544 120.120 119.600 -0.040 0.000 2.366 36 M HA 0.354 4.833 4.480 -0.001 0.000 0.287 36 M C -2.032 174.303 176.300 0.058 0.000 1.083 36 M CA -0.455 54.854 55.300 0.015 0.000 0.934 36 M CB 1.885 34.558 32.600 0.121 0.000 1.852 36 M HN 0.416 nan 8.290 nan 0.000 0.502 37 V N 3.778 123.625 119.914 -0.112 0.000 2.448 37 V HA 0.634 4.753 4.120 -0.001 0.000 0.295 37 V C -0.438 175.484 176.094 -0.286 0.000 1.025 37 V CA -0.408 61.828 62.300 -0.107 0.000 0.859 37 V CB 1.699 33.439 31.823 -0.138 0.000 0.988 37 V HN 1.009 nan 8.190 nan 0.000 0.431 38 C N 2.669 121.839 119.300 -0.217 0.000 2.771 38 C HA 0.826 5.285 4.460 -0.001 0.000 0.333 38 C C 0.456 175.366 174.990 -0.134 0.000 1.267 38 C CA -0.755 58.056 59.018 -0.345 0.000 1.721 38 C CB 2.224 29.488 27.740 -0.795 0.000 2.222 38 C HN 0.910 nan 8.230 nan 0.000 0.485 39 S N 0.801 116.438 115.700 -0.104 0.000 2.509 39 S HA 0.890 5.360 4.470 -0.001 0.000 0.297 39 S C -0.603 174.014 174.600 0.028 0.000 1.118 39 S CA -0.315 57.874 58.200 -0.020 0.000 1.074 39 S CB 1.523 64.719 63.200 -0.007 0.000 1.038 39 S HN 1.337 nan 8.310 nan 0.000 0.498 40 A N 1.554 124.426 122.820 0.086 0.000 2.530 40 A HA 0.735 5.055 4.320 -0.001 0.000 0.288 40 A C -1.891 175.839 177.584 0.243 0.000 1.172 40 A CA -0.839 51.299 52.037 0.168 0.000 0.733 40 A CB 0.928 20.052 19.000 0.206 0.000 1.320 40 A HN 0.979 nan 8.150 nan 0.000 0.419 41 Y N 1.152 121.538 120.300 0.143 0.000 2.353 41 Y HA 0.449 4.999 4.550 -0.001 0.000 0.340 41 Y C -0.294 175.685 175.900 0.131 0.000 0.972 41 Y CA -0.751 57.417 58.100 0.113 0.000 1.157 41 Y CB 1.037 39.533 38.460 0.060 0.000 1.157 41 Y HN 0.664 nan 8.280 nan 0.000 0.495 42 D N 4.521 124.724 120.400 -0.329 0.000 2.352 42 D HA 0.047 4.686 4.640 -0.001 0.000 0.245 42 D C 0.181 176.121 176.300 -0.598 0.000 1.224 42 D CA 0.293 54.082 54.000 -0.351 0.000 0.879 42 D CB 0.312 41.039 40.800 -0.123 0.000 1.057 42 D HN 0.822 nan 8.370 nan 0.000 0.491 43 N N 2.054 120.514 118.700 -0.401 0.000 2.381 43 N HA -0.097 4.642 4.740 -0.001 0.000 0.182 43 N C 1.546 176.950 175.510 -0.177 0.000 1.025 43 N CA 0.364 53.290 53.050 -0.206 0.000 0.888 43 N CB 0.462 38.914 38.487 -0.057 0.000 0.965 43 N HN 0.229 nan 8.380 nan 0.000 0.438 44 V N 0.719 120.504 119.914 -0.215 0.000 2.788 44 V HA -0.001 4.118 4.120 -0.001 0.000 0.251 44 V C 1.090 177.116 176.094 -0.113 0.000 1.068 44 V CA 1.134 63.352 62.300 -0.137 0.000 1.090 44 V CB -0.130 31.615 31.823 -0.131 0.000 0.710 44 V HN 0.387 nan 8.190 nan 0.000 0.467 45 N N -0.722 117.886 118.700 -0.154 0.000 2.171 45 N HA 0.088 4.828 4.740 -0.001 0.000 0.212 45 N C 0.409 175.828 175.510 -0.151 0.000 1.184 45 N CA -0.061 52.922 53.050 -0.113 0.000 0.888 45 N CB 0.693 39.134 38.487 -0.077 0.000 1.038 45 N HN 0.136 nan 8.380 nan 0.000 0.517 46 K N -0.215 120.016 120.400 -0.282 0.000 3.274 46 K HA -0.133 4.186 4.320 -0.001 0.000 0.305 46 K C 0.044 176.483 176.600 -0.269 0.000 1.225 46 K CA 0.579 56.689 56.287 -0.297 0.000 0.904 46 K CB -2.483 30.027 32.500 0.016 0.000 1.227 46 K HN 0.316 nan 8.250 nan 0.000 0.453 47 V N -2.291 117.442 119.914 -0.302 0.000 2.667 47 V HA 0.564 4.683 4.120 -0.001 0.000 0.308 47 V C 0.728 176.756 176.094 -0.109 0.000 1.048 47 V CA -1.184 61.054 62.300 -0.104 0.000 0.928 47 V CB 2.212 34.015 31.823 -0.034 0.000 1.004 47 V HN 0.150 nan 8.190 nan 0.000 0.444 48 R N 1.694 122.234 120.500 0.067 0.000 2.643 48 R HA 0.628 4.967 4.340 -0.001 0.000 0.270 48 R C -0.251 176.085 176.300 0.060 0.000 1.061 48 R CA 0.117 56.283 56.100 0.111 0.000 1.107 48 R CB 1.413 31.800 30.300 0.144 0.000 0.999 48 R HN 0.999 nan 8.270 nan 0.000 0.460 49 V N -1.991 117.963 119.914 0.067 0.000 3.181 49 V HA 0.843 4.962 4.120 -0.001 0.000 0.308 49 V C -0.869 175.229 176.094 0.007 0.000 1.214 49 V CA -1.250 61.070 62.300 0.033 0.000 1.053 49 V CB 1.983 33.828 31.823 0.038 0.000 1.069 49 V HN 0.834 nan 8.190 nan 0.000 0.441 50 A N 2.036 124.843 122.820 -0.021 0.000 2.305 50 A HA 0.917 5.236 4.320 -0.001 0.000 0.322 50 A C -0.571 176.982 177.584 -0.052 0.000 1.187 50 A CA -0.655 51.363 52.037 -0.031 0.000 0.825 50 A CB 0.442 19.422 19.000 -0.033 0.000 1.164 50 A HN 0.908 nan 8.150 nan 0.000 0.498 51 I N 1.538 122.108 120.570 0.001 0.000 2.545 51 I HA 0.405 4.574 4.170 -0.001 0.000 0.292 51 I C -0.189 176.031 176.117 0.171 0.000 1.040 51 I CA -0.536 60.788 61.300 0.040 0.000 1.068 51 I CB 2.309 40.354 38.000 0.075 0.000 1.251 51 I HN 0.698 nan 8.210 nan 0.000 0.424 52 K N 6.487 126.929 120.400 0.069 0.000 2.358 52 K HA 0.395 4.714 4.320 -0.001 0.000 0.260 52 K C -0.896 175.668 176.600 -0.060 0.000 0.956 52 K CA -0.747 55.565 56.287 0.043 0.000 0.834 52 K CB 1.754 34.224 32.500 -0.050 0.000 1.102 52 K HN 0.521 nan 8.250 nan 0.000 0.431 53 K N 5.609 125.966 120.400 -0.071 0.000 2.205 53 K HA 0.321 4.641 4.320 -0.001 0.000 0.279 53 K C -0.935 175.449 176.600 -0.360 0.000 1.027 53 K CA -0.434 55.592 56.287 -0.435 0.000 0.932 53 K CB 0.668 32.956 32.500 -0.352 0.000 1.032 53 K HN 0.572 nan 8.250 nan 0.000 0.466 54 I N 2.809 123.095 120.570 -0.472 0.000 2.498 54 I HA 0.143 4.312 4.170 -0.001 0.000 0.290 54 I C -0.693 175.190 176.117 -0.391 0.000 1.032 54 I CA -0.719 60.355 61.300 -0.377 0.000 1.073 54 I CB 2.309 40.102 38.000 -0.345 0.000 1.251 54 I HN 0.560 nan 8.210 nan 0.000 0.426 55 S N 6.797 122.286 115.700 -0.352 0.000 2.062 55 S HA 0.276 4.745 4.470 -0.001 0.000 0.163 55 S C -1.868 172.545 174.600 -0.311 0.000 1.612 55 S CA -0.767 57.262 58.200 -0.284 0.000 1.251 55 S CB 0.442 63.541 63.200 -0.169 0.000 1.174 55 S HN 0.571 nan 8.310 nan 0.000 0.428 56 P HA 0.214 nan 4.420 nan 0.000 0.252 56 P C 0.576 177.784 177.300 -0.154 0.000 1.218 56 P CA 0.100 63.019 63.100 -0.302 0.000 0.807 56 P CB -0.074 31.379 31.700 -0.412 0.000 1.072 57 F N 1.175 121.145 119.950 0.033 0.000 2.722 57 F HA 0.025 4.553 4.527 0.002 0.000 0.298 57 F C 2.316 178.097 175.800 -0.030 0.000 1.175 57 F CA 0.235 58.237 58.000 0.005 0.000 1.462 57 F CB -0.811 38.177 39.000 -0.020 0.000 1.111 57 F HN 0.035 nan 8.300 nan 0.000 0.592 58 E N 0.417 120.673 120.200 0.093 0.000 2.001 58 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 58 E C -0.083 176.313 176.600 -0.340 0.000 0.994 58 E CA 1.268 57.603 56.400 -0.108 0.000 0.815 58 E CB -0.029 29.655 29.700 -0.027 0.000 0.770 58 E HN 0.409 nan 8.360 nan 0.000 0.453 59 H N -1.313 117.745 119.070 -0.019 0.000 2.834 59 H HA 0.144 4.700 4.556 -0.001 0.000 0.369 59 H C 0.675 175.929 175.328 -0.123 0.000 1.174 59 H CA -0.425 55.557 56.048 -0.110 0.000 1.165 59 H CB 1.646 31.279 29.762 -0.215 0.000 1.820 59 H HN 0.061 nan 8.280 nan 0.000 0.558 60 Q N 0.544 120.375 119.800 0.052 0.000 2.152 60 Q HA -0.183 4.156 4.340 -0.001 0.000 0.206 60 Q C 0.963 176.946 176.000 -0.029 0.000 0.985 60 Q CA 2.286 58.096 55.803 0.012 0.000 0.863 60 Q CB -0.026 28.714 28.738 0.005 0.000 0.904 60 Q HN 0.784 nan 8.270 nan 0.000 0.422 61 T N 0.086 114.575 114.554 -0.109 0.000 2.684 61 T HA -0.180 4.169 4.350 -0.001 0.000 0.267 61 T C 1.437 176.126 174.700 -0.018 0.000 1.036 61 T CA 1.676 63.706 62.100 -0.116 0.000 1.148 61 T CB -0.530 68.207 68.868 -0.218 0.000 0.863 61 T HN 0.471 nan 8.240 nan 0.000 0.436 62 Y N 0.554 120.832 120.300 -0.038 0.000 2.145 62 Y HA -0.201 4.348 4.550 -0.002 0.000 0.286 62 Y C 3.126 178.956 175.900 -0.118 0.000 1.145 62 Y CA 0.335 58.382 58.100 -0.088 0.000 1.148 62 Y CB -0.624 37.771 38.460 -0.108 0.000 0.981 62 Y HN 0.239 nan 8.280 nan 0.000 0.507 63 C N -0.171 119.168 119.300 0.064 0.000 2.413 63 C HA -0.231 4.228 4.460 -0.001 0.000 0.277 63 C C 2.728 177.721 174.990 0.006 0.000 1.265 63 C CA 1.343 60.361 59.018 0.000 0.000 1.752 63 C CB -1.108 26.668 27.740 0.059 0.000 1.998 63 C HN 0.570 nan 8.230 nan 0.000 0.489 64 Q N 0.465 120.272 119.800 0.012 0.000 2.079 64 Q HA -0.128 4.212 4.340 -0.001 0.000 0.200 64 Q C 2.373 178.365 176.000 -0.013 0.000 0.974 64 Q CA 1.345 57.147 55.803 -0.000 0.000 0.840 64 Q CB -0.052 28.680 28.738 -0.010 0.000 0.898 64 Q HN 0.623 nan 8.270 nan 0.000 0.430 65 R N -0.848 119.646 120.500 -0.010 0.000 2.148 65 R HA -0.009 4.330 4.340 -0.001 0.000 0.223 65 R C 2.068 178.341 176.300 -0.045 0.000 1.088 65 R CA 1.466 57.549 56.100 -0.028 0.000 0.985 65 R CB 0.043 30.333 30.300 -0.016 0.000 0.880 65 R HN 0.212 nan 8.270 nan 0.000 0.451 66 T N 1.264 115.787 114.554 -0.052 0.000 2.896 66 T HA 0.020 4.369 4.350 -0.001 0.000 0.263 66 T C 1.722 176.388 174.700 -0.058 0.000 1.050 66 T CA 0.480 62.529 62.100 -0.084 0.000 1.140 66 T CB 0.076 68.860 68.868 -0.141 0.000 0.877 66 T HN 0.133 nan 8.240 nan 0.000 0.457 67 L N 0.775 121.981 121.223 -0.029 0.000 2.044 67 L HA -0.048 4.291 4.340 -0.001 0.000 0.205 67 L C 2.806 179.668 176.870 -0.014 0.000 1.075 67 L CA 1.373 56.211 54.840 -0.005 0.000 0.747 67 L CB -0.197 41.874 42.059 0.020 0.000 0.903 67 L HN 0.173 nan 8.230 nan 0.000 0.435 68 R N -0.193 120.292 120.500 -0.024 0.000 2.094 68 R HA -0.276 4.063 4.340 -0.001 0.000 0.239 68 R C 2.156 178.415 176.300 -0.069 0.000 1.137 68 R CA 2.107 58.182 56.100 -0.042 0.000 0.943 68 R CB -0.523 29.744 30.300 -0.055 0.000 0.850 68 R HN 0.465 nan 8.270 nan 0.000 0.433 69 E N 0.898 121.060 120.200 -0.064 0.000 2.077 69 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 69 E C 1.984 178.514 176.600 -0.117 0.000 0.989 69 E CA 1.073 57.426 56.400 -0.078 0.000 0.800 69 E CB -0.001 29.672 29.700 -0.046 0.000 0.746 69 E HN 0.323 nan 8.360 nan 0.000 0.452 70 I N 0.521 121.040 120.570 -0.085 0.000 2.315 70 I HA -0.210 3.959 4.170 -0.001 0.000 0.248 70 I C 2.551 178.637 176.117 -0.051 0.000 1.117 70 I CA 0.978 62.233 61.300 -0.075 0.000 1.404 70 I CB -0.160 37.807 38.000 -0.055 0.000 1.071 70 I HN 0.049 nan 8.210 nan 0.000 0.419 71 K N 1.568 121.949 120.400 -0.030 0.000 2.097 71 K HA -0.079 4.240 4.320 -0.001 0.000 0.205 71 K C 1.895 178.507 176.600 0.020 0.000 1.050 71 K CA 1.367 57.668 56.287 0.024 0.000 0.938 71 K CB -0.021 32.528 32.500 0.082 0.000 0.718 71 K HN 0.232 nan 8.250 nan 0.000 0.442 72 I N -0.095 120.392 120.570 -0.138 0.000 2.296 72 I HA -0.173 3.996 4.170 -0.001 0.000 0.242 72 I C 1.617 177.385 176.117 -0.582 0.000 1.087 72 I CA 0.407 61.440 61.300 -0.445 0.000 1.393 72 I CB -0.184 37.361 38.000 -0.759 0.000 1.093 72 I HN 0.066 nan 8.210 nan 0.000 0.421 73 L N 0.178 121.124 121.223 -0.462 0.000 2.187 73 L HA -0.201 4.138 4.340 -0.001 0.000 0.213 73 L C 2.205 179.020 176.870 -0.092 0.000 1.100 73 L CA 1.585 56.235 54.840 -0.316 0.000 0.765 73 L CB -0.805 41.110 42.059 -0.239 0.000 0.904 73 L HN 0.215 nan 8.230 nan 0.000 0.437 74 L N -1.245 119.949 121.223 -0.049 0.000 2.270 74 L HA -0.039 4.300 4.340 -0.001 0.000 0.210 74 L C 2.567 179.491 176.870 0.089 0.000 1.104 74 L CA 1.304 56.176 54.840 0.052 0.000 0.804 74 L CB -0.494 41.607 42.059 0.070 0.000 0.937 74 L HN 0.207 nan 8.230 nan 0.000 0.450 75 R N -1.844 118.718 120.500 0.103 0.000 2.189 75 R HA 0.022 4.361 4.340 -0.001 0.000 0.203 75 R C 0.118 176.673 176.300 0.425 0.000 1.012 75 R CA -0.061 56.161 56.100 0.203 0.000 1.015 75 R CB 0.166 30.578 30.300 0.186 0.000 0.938 75 R HN -0.001 nan 8.270 nan 0.000 0.472 76 F N 1.292 121.329 119.950 0.145 0.000 2.429 76 F HA 0.268 4.794 4.527 -0.001 0.000 0.348 76 F C 0.344 176.195 175.800 0.085 0.000 1.109 76 F CA -0.429 57.697 58.000 0.210 0.000 1.232 76 F CB 1.008 40.072 39.000 0.107 0.000 1.157 76 F HN -0.108 nan 8.300 nan 0.000 0.564 77 R N 2.473 123.080 120.500 0.178 0.000 2.625 77 R HA 0.382 4.722 4.340 -0.001 0.000 0.286 77 R C -2.040 174.114 176.300 -0.244 0.000 1.406 77 R CA -0.469 55.633 56.100 0.002 0.000 1.052 77 R CB 0.447 30.783 30.300 0.061 0.000 1.203 77 R HN 0.798 nan 8.270 nan 0.000 0.502 78 H N 0.288 119.135 119.070 -0.371 0.000 3.046 78 H HA 0.250 4.805 4.556 -0.001 0.000 0.363 78 H C -0.128 175.060 175.328 -0.232 0.000 1.203 78 H CA -0.532 55.237 56.048 -0.464 0.000 1.169 78 H CB 1.828 31.075 29.762 -0.860 0.000 1.851 78 H HN 0.598 nan 8.280 nan 0.000 0.546 79 E N 1.603 121.493 120.200 -0.516 0.000 2.204 79 E HA -0.114 4.236 4.350 -0.001 0.000 0.194 79 E C 0.360 176.932 176.600 -0.046 0.000 0.989 79 E CA 1.209 57.468 56.400 -0.234 0.000 0.824 79 E CB 0.129 29.669 29.700 -0.268 0.000 0.756 79 E HN 0.535 nan 8.360 nan 0.000 0.477 80 N N -0.225 118.580 118.700 0.174 0.000 2.236 80 N HA 0.178 4.917 4.740 -0.001 0.000 0.196 80 N C -0.352 175.225 175.510 0.110 0.000 1.114 80 N CA -0.004 53.129 53.050 0.138 0.000 0.859 80 N CB 0.833 39.392 38.487 0.119 0.000 0.982 80 N HN -0.008 nan 8.380 nan 0.000 0.493 81 I N 0.878 121.529 120.570 0.136 0.000 2.412 81 I HA 0.265 4.435 4.170 -0.001 0.000 0.296 81 I C -0.323 175.838 176.117 0.073 0.000 0.987 81 I CA -1.195 60.173 61.300 0.114 0.000 1.180 81 I CB 1.601 39.662 38.000 0.101 0.000 1.340 81 I HN -0.053 nan 8.210 nan 0.000 0.455 82 I N 4.656 125.277 120.570 0.085 0.000 2.648 82 I HA 0.312 4.481 4.170 -0.001 0.000 0.284 82 I C 0.621 176.743 176.117 0.009 0.000 1.153 82 I CA 0.653 61.977 61.300 0.040 0.000 1.426 82 I CB 0.711 38.741 38.000 0.049 0.000 1.381 82 I HN 0.609 nan 8.210 nan 0.000 0.571 83 G N 7.055 115.856 108.800 0.002 0.000 2.552 83 G HA2 0.616 4.576 3.960 -0.001 0.000 0.324 83 G HA3 0.616 4.576 3.960 -0.001 0.000 0.324 83 G C -0.854 174.036 174.900 -0.016 0.000 1.217 83 G CA -0.762 44.338 45.100 -0.000 0.000 0.989 83 G HN 0.607 nan 8.290 nan 0.000 0.490 84 I N 1.553 122.118 120.570 -0.009 0.000 2.354 84 I HA 0.168 4.338 4.170 -0.001 0.000 0.286 84 I C 0.271 176.404 176.117 0.026 0.000 1.007 84 I CA -0.806 60.467 61.300 -0.046 0.000 1.167 84 I CB 1.811 39.745 38.000 -0.110 0.000 1.320 84 I HN 0.407 nan 8.210 nan 0.000 0.458 85 N N 3.381 122.087 118.700 0.010 0.000 2.250 85 N HA -0.020 4.719 4.740 -0.001 0.000 0.181 85 N C 0.108 175.734 175.510 0.192 0.000 1.017 85 N CA 0.952 54.064 53.050 0.104 0.000 0.866 85 N CB 0.133 38.662 38.487 0.070 0.000 0.985 85 N HN 0.593 nan 8.380 nan 0.000 0.429 86 D N -0.862 119.489 120.400 -0.082 0.000 2.655 86 D HA 0.467 5.106 4.640 -0.001 0.000 0.229 86 D C -1.452 174.418 176.300 -0.717 0.000 1.229 86 D CA -0.501 53.350 54.000 -0.248 0.000 0.807 86 D CB 1.932 42.795 40.800 0.105 0.000 1.514 86 D HN -0.166 nan 8.370 nan 0.000 0.444 87 I N 2.734 122.708 120.570 -0.993 0.000 2.478 87 I HA 0.401 4.570 4.170 -0.001 0.000 0.287 87 I C -0.472 175.527 176.117 -0.197 0.000 1.042 87 I CA -0.721 60.229 61.300 -0.582 0.000 1.067 87 I CB 1.847 39.434 38.000 -0.689 0.000 1.233 87 I HN 0.280 nan 8.210 nan 0.000 0.431 88 I N 7.045 127.572 120.570 -0.072 0.000 2.354 88 I HA 0.514 4.684 4.170 -0.001 0.000 0.292 88 I C -0.020 176.166 176.117 0.114 0.000 0.989 88 I CA -0.435 60.886 61.300 0.034 0.000 1.188 88 I CB 1.274 39.276 38.000 0.003 0.000 1.342 88 I HN 0.672 nan 8.210 nan 0.000 0.457 89 R N 4.879 125.435 120.500 0.094 0.000 2.766 89 R HA 0.849 5.188 4.340 -0.001 0.000 0.270 89 R C -1.204 175.164 176.300 0.114 0.000 1.035 89 R CA -0.934 55.242 56.100 0.127 0.000 0.911 89 R CB 1.140 31.505 30.300 0.108 0.000 1.243 89 R HN 0.470 nan 8.270 nan 0.000 0.460 90 A N 1.043 123.944 122.820 0.134 0.000 2.406 90 A HA 0.315 4.635 4.320 -0.001 0.000 0.243 90 A C -1.600 176.079 177.584 0.158 0.000 1.082 90 A CA -1.309 50.801 52.037 0.122 0.000 0.786 90 A CB -0.259 18.802 19.000 0.102 0.000 1.029 90 A HN 0.750 nan 8.150 nan 0.000 0.495 91 P HA -0.003 nan 4.420 nan 0.000 0.229 91 P C 0.416 177.870 177.300 0.257 0.000 1.160 91 P CA 1.512 64.705 63.100 0.154 0.000 0.777 91 P CB -0.168 31.591 31.700 0.099 0.000 0.814 92 T N -4.172 110.511 114.554 0.214 0.000 2.906 92 T HA 0.389 4.738 4.350 -0.001 0.000 0.295 92 T C 0.824 175.472 174.700 -0.086 0.000 1.061 92 T CA -0.859 61.299 62.100 0.096 0.000 1.000 92 T CB 1.564 70.422 68.868 -0.017 0.000 1.103 92 T HN -0.136 nan 8.240 nan 0.000 0.486 93 I N 0.636 120.814 120.570 -0.655 0.000 2.614 93 I HA -0.086 4.084 4.170 -0.001 0.000 0.258 93 I C 1.894 177.778 176.117 -0.388 0.000 1.189 93 I CA 1.367 62.219 61.300 -0.748 0.000 1.462 93 I CB -0.013 37.345 38.000 -1.070 0.000 1.092 93 I HN 0.793 nan 8.210 nan 0.000 0.442 94 E N -0.080 119.954 120.200 -0.276 0.000 2.371 94 E HA -0.145 4.204 4.350 -0.001 0.000 0.194 94 E C 1.713 178.237 176.600 -0.127 0.000 1.012 94 E CA 0.515 56.803 56.400 -0.187 0.000 0.860 94 E CB 0.101 29.715 29.700 -0.142 0.000 0.811 94 E HN 0.658 nan 8.360 nan 0.000 0.502 95 Q N 0.068 119.811 119.800 -0.094 0.000 2.384 95 Q HA 0.175 4.514 4.340 -0.001 0.000 0.207 95 Q C 0.744 176.725 176.000 -0.030 0.000 0.904 95 Q CA -0.125 55.653 55.803 -0.041 0.000 0.933 95 Q CB 0.421 29.157 28.738 -0.003 0.000 1.077 95 Q HN 0.198 nan 8.270 nan 0.000 0.522 96 M N 1.564 121.125 119.600 -0.066 0.000 2.220 96 M HA 0.062 4.541 4.480 -0.001 0.000 0.343 96 M C -0.065 176.172 176.300 -0.105 0.000 1.470 96 M CA 0.213 55.489 55.300 -0.039 0.000 1.161 96 M CB 0.404 32.990 32.600 -0.022 0.000 1.737 96 M HN -0.161 nan 8.290 nan 0.000 0.464 97 K N 2.654 123.083 120.400 0.049 0.000 2.367 97 K HA 0.255 4.574 4.320 -0.001 0.000 0.198 97 K C -0.330 176.451 176.600 0.301 0.000 1.132 97 K CA 0.491 56.862 56.287 0.139 0.000 0.941 97 K CB 0.470 33.016 32.500 0.076 0.000 1.052 97 K HN 0.608 nan 8.250 nan 0.000 0.507 98 D N 0.349 120.846 120.400 0.161 0.000 2.414 98 D HA 0.440 5.080 4.640 -0.001 0.000 0.241 98 D C -0.608 175.673 176.300 -0.031 0.000 1.008 98 D CA -0.641 53.342 54.000 -0.028 0.000 1.001 98 D CB 2.457 43.111 40.800 -0.243 0.000 1.277 98 D HN -0.343 nan 8.370 nan 0.000 0.538 99 V N 0.984 120.726 119.914 -0.286 0.000 2.733 99 V HA 0.310 4.429 4.120 -0.001 0.000 0.306 99 V C -1.388 174.430 176.094 -0.461 0.000 1.084 99 V CA -0.826 61.344 62.300 -0.217 0.000 0.905 99 V CB 1.500 33.262 31.823 -0.103 0.000 1.010 99 V HN 0.408 nan 8.190 nan 0.000 0.424 100 Y N 4.081 124.272 120.300 -0.182 0.000 2.335 100 Y HA 0.663 5.212 4.550 -0.002 0.000 0.338 100 Y C 0.171 175.918 175.900 -0.256 0.000 0.977 100 Y CA -0.675 57.273 58.100 -0.252 0.000 1.114 100 Y CB 1.715 39.987 38.460 -0.314 0.000 1.182 100 Y HN 0.445 nan 8.280 nan 0.000 0.463 101 I N 4.405 124.903 120.570 -0.121 0.000 2.330 101 I HA 0.315 4.484 4.170 -0.001 0.000 0.289 101 I C -0.835 175.177 176.117 -0.174 0.000 1.001 101 I CA -0.930 60.263 61.300 -0.179 0.000 1.193 101 I CB 1.187 39.088 38.000 -0.165 0.000 1.345 101 I HN 0.259 nan 8.210 nan 0.000 0.461 102 V N 7.033 126.809 119.914 -0.230 0.000 2.383 102 V HA 0.345 4.464 4.120 -0.001 0.000 0.275 102 V C -0.007 176.004 176.094 -0.138 0.000 1.036 102 V CA -0.302 61.865 62.300 -0.221 0.000 0.889 102 V CB 1.091 32.747 31.823 -0.279 0.000 0.985 102 V HN 0.751 nan 8.190 nan 0.000 0.459 103 Q N 1.861 121.603 119.800 -0.096 0.000 2.495 103 Q HA 0.401 4.740 4.340 -0.001 0.000 0.287 103 Q C -1.283 174.698 176.000 -0.032 0.000 1.078 103 Q CA -1.164 54.606 55.803 -0.056 0.000 0.793 103 Q CB 2.002 30.709 28.738 -0.052 0.000 1.459 103 Q HN 0.618 nan 8.270 nan 0.000 0.422 104 D N 1.456 121.847 120.400 -0.015 0.000 2.548 104 D HA -0.025 4.614 4.640 -0.001 0.000 0.231 104 D C -0.575 175.721 176.300 -0.007 0.000 1.142 104 D CA 0.634 54.632 54.000 -0.004 0.000 0.866 104 D CB 0.573 41.373 40.800 -0.000 0.000 1.190 104 D HN 0.300 nan 8.370 nan 0.000 0.469 105 L N 3.246 124.469 121.223 0.001 0.000 2.290 105 L HA 0.188 4.528 4.340 -0.001 0.000 0.284 105 L C -0.494 176.378 176.870 0.003 0.000 1.078 105 L CA -0.442 54.399 54.840 0.001 0.000 0.815 105 L CB 0.319 42.386 42.059 0.013 0.000 1.162 105 L HN 0.149 nan 8.230 nan 0.000 0.435 106 M N 3.608 123.206 119.600 -0.004 0.000 2.528 106 M HA 0.218 4.698 4.480 -0.001 0.000 0.321 106 M C 0.705 177.004 176.300 -0.002 0.000 1.153 106 M CA -0.358 54.940 55.300 -0.003 0.000 0.951 106 M CB 1.533 34.123 32.600 -0.015 0.000 1.705 106 M HN 0.597 nan 8.290 nan 0.000 0.451 107 E N 1.198 121.403 120.200 0.007 0.000 2.085 107 E HA -0.119 4.230 4.350 -0.001 0.000 0.194 107 E C 0.097 176.700 176.600 0.005 0.000 0.994 107 E CA 1.276 57.684 56.400 0.012 0.000 0.801 107 E CB 0.543 30.257 29.700 0.024 0.000 0.743 107 E HN 0.713 nan 8.360 nan 0.000 0.453 108 T N -0.917 113.633 114.554 -0.006 0.000 2.693 108 T HA 0.235 4.585 4.350 -0.001 0.000 0.304 108 T C -2.167 172.516 174.700 -0.029 0.000 1.471 108 T CA -0.439 61.656 62.100 -0.008 0.000 0.993 108 T CB 1.292 70.162 68.868 0.002 0.000 1.554 108 T HN 0.240 nan 8.240 nan 0.000 0.496 109 D N 0.672 121.063 120.400 -0.016 0.000 2.423 109 D HA 0.440 5.080 4.640 -0.001 0.000 0.235 109 D C 0.929 177.212 176.300 -0.029 0.000 1.011 109 D CA -0.863 53.117 54.000 -0.033 0.000 0.963 109 D CB 0.749 41.544 40.800 -0.008 0.000 1.349 109 D HN 0.348 nan 8.370 nan 0.000 0.508 110 L N 0.549 121.730 121.223 -0.069 0.000 2.265 110 L HA -0.032 4.307 4.340 -0.001 0.000 0.215 110 L C 1.627 178.504 176.870 0.011 0.000 1.117 110 L CA 1.461 56.251 54.840 -0.083 0.000 0.782 110 L CB -0.993 40.986 42.059 -0.134 0.000 0.914 110 L HN 0.659 nan 8.230 nan 0.000 0.441 111 Y N 0.188 120.461 120.300 -0.045 0.000 2.181 111 Y HA -0.266 4.283 4.550 -0.001 0.000 0.288 111 Y C 2.369 178.277 175.900 0.014 0.000 1.146 111 Y CA 1.996 60.097 58.100 0.001 0.000 1.164 111 Y CB -0.011 38.449 38.460 0.000 0.000 0.982 111 Y HN 0.155 nan 8.280 nan 0.000 0.515 112 K N 0.010 120.467 120.400 0.094 0.000 2.057 112 K HA -0.157 4.162 4.320 -0.001 0.000 0.206 112 K C 2.091 178.665 176.600 -0.044 0.000 1.050 112 K CA 1.598 57.898 56.287 0.022 0.000 0.935 112 K CB -0.346 32.197 32.500 0.072 0.000 0.715 112 K HN 0.360 nan 8.250 nan 0.000 0.439 113 L N 1.016 122.222 121.223 -0.029 0.000 2.012 113 L HA -0.201 4.139 4.340 -0.001 0.000 0.210 113 L C 2.315 179.164 176.870 -0.035 0.000 1.073 113 L CA 1.247 56.075 54.840 -0.020 0.000 0.748 113 L CB -0.424 41.632 42.059 -0.004 0.000 0.891 113 L HN 0.216 nan 8.230 nan 0.000 0.431 114 L N -0.569 120.615 121.223 -0.066 0.000 2.362 114 L HA -0.196 4.143 4.340 -0.001 0.000 0.219 114 L C 2.380 179.198 176.870 -0.088 0.000 1.134 114 L CA 0.940 55.740 54.840 -0.065 0.000 0.807 114 L CB -0.366 41.650 42.059 -0.072 0.000 0.927 114 L HN 0.227 nan 8.230 nan 0.000 0.447 115 K N -0.563 119.756 120.400 -0.134 0.000 2.217 115 K HA -0.082 4.237 4.320 -0.001 0.000 0.202 115 K C 1.761 178.335 176.600 -0.044 0.000 1.051 115 K CA 1.765 57.982 56.287 -0.116 0.000 0.952 115 K CB 0.073 32.486 32.500 -0.145 0.000 0.736 115 K HN 0.431 nan 8.250 nan 0.000 0.453 116 T N -3.591 110.948 114.554 -0.024 0.000 3.028 116 T HA 0.129 4.478 4.350 -0.001 0.000 0.262 116 T C 0.128 174.838 174.700 0.017 0.000 0.916 116 T CA -0.591 61.509 62.100 0.000 0.000 0.873 116 T CB 0.453 69.323 68.868 0.003 0.000 1.232 116 T HN -0.226 nan 8.240 nan 0.000 0.529 117 Q N 1.931 121.740 119.800 0.015 0.000 2.316 117 Q HA 0.409 4.748 4.340 -0.001 0.000 0.264 117 Q C -1.321 174.709 176.000 0.051 0.000 0.987 117 Q CA -0.467 55.352 55.803 0.028 0.000 0.852 117 Q CB 1.693 30.434 28.738 0.006 0.000 1.287 117 Q HN 0.625 nan 8.270 nan 0.000 0.448 118 H N 2.231 121.288 119.070 -0.021 0.000 2.620 118 H HA 0.344 4.899 4.556 -0.001 0.000 0.313 118 H C -0.969 174.339 175.328 -0.033 0.000 1.075 118 H CA -0.377 55.662 56.048 -0.015 0.000 1.397 118 H CB 0.414 30.170 29.762 -0.009 0.000 1.446 118 H HN 0.283 nan 8.280 nan 0.000 0.493 119 L N 4.488 125.417 121.223 -0.490 0.000 2.312 119 L HA 0.240 4.580 4.340 -0.001 0.000 0.281 119 L C 0.410 177.040 176.870 -0.400 0.000 1.070 119 L CA -0.100 54.535 54.840 -0.341 0.000 0.805 119 L CB 1.315 43.287 42.059 -0.145 0.000 1.174 119 L HN 0.840 nan 8.230 nan 0.000 0.434 120 S N 1.606 117.228 115.700 -0.131 0.000 2.632 120 S HA 0.143 4.612 4.470 -0.001 0.000 0.267 120 S C 1.050 175.659 174.600 0.014 0.000 1.276 120 S CA -0.333 57.872 58.200 0.008 0.000 0.998 120 S CB 0.454 63.744 63.200 0.150 0.000 0.953 120 S HN 0.725 nan 8.310 nan 0.000 0.547 121 N N 0.635 119.359 118.700 0.039 0.000 2.205 121 N HA -0.196 4.543 4.740 -0.001 0.000 0.186 121 N C 0.593 176.135 175.510 0.055 0.000 1.015 121 N CA 1.499 54.590 53.050 0.067 0.000 0.862 121 N CB -0.245 38.300 38.487 0.097 0.000 0.986 121 N HN 0.644 nan 8.380 nan 0.000 0.429 122 D N -0.047 120.360 120.400 0.011 0.000 2.097 122 D HA -0.121 4.518 4.640 -0.001 0.000 0.195 122 D C 1.631 177.822 176.300 -0.181 0.000 0.989 122 D CA 1.200 55.160 54.000 -0.068 0.000 0.827 122 D CB -0.511 40.218 40.800 -0.118 0.000 0.966 122 D HN 0.465 nan 8.370 nan 0.000 0.456 123 H N 0.179 119.110 119.070 -0.233 0.000 2.357 123 H HA 0.050 4.605 4.556 -0.001 0.000 0.301 123 H C 2.251 177.197 175.328 -0.638 0.000 1.082 123 H CA 0.814 56.525 56.048 -0.563 0.000 1.342 123 H CB -0.062 29.381 29.762 -0.532 0.000 1.389 123 H HN 0.110 nan 8.280 nan 0.000 0.511 124 I N -0.681 119.804 120.570 -0.141 0.000 2.286 124 I HA -0.331 3.838 4.170 -0.001 0.000 0.248 124 I C 2.577 178.719 176.117 0.042 0.000 1.115 124 I CA 0.931 62.224 61.300 -0.012 0.000 1.392 124 I CB -0.279 37.745 38.000 0.039 0.000 1.065 124 I HN 0.435 nan 8.210 nan 0.000 0.418 125 C N 0.040 119.350 119.300 0.016 0.000 2.466 125 C HA -0.210 4.250 4.460 -0.001 0.000 0.278 125 C C 2.889 177.809 174.990 -0.116 0.000 1.288 125 C CA 0.517 59.473 59.018 -0.103 0.000 1.722 125 C CB -0.847 26.758 27.740 -0.225 0.000 2.017 125 C HN 0.568 nan 8.230 nan 0.000 0.488 126 Y N 0.605 120.712 120.300 -0.321 0.000 2.220 126 Y HA 0.014 4.563 4.550 -0.001 0.000 0.291 126 Y C 2.001 177.846 175.900 -0.092 0.000 1.129 126 Y CA 1.616 59.437 58.100 -0.465 0.000 1.161 126 Y CB -0.884 37.314 38.460 -0.436 0.000 0.997 126 Y HN 0.310 nan 8.280 nan 0.000 0.522 127 F N -0.425 119.432 119.950 -0.154 0.000 2.134 127 F HA -0.196 4.331 4.527 -0.001 0.000 0.299 127 F C 2.317 178.010 175.800 -0.179 0.000 1.097 127 F CA 1.036 58.919 58.000 -0.195 0.000 1.264 127 F CB -1.543 37.419 39.000 -0.063 0.000 1.001 127 F HN 0.180 nan 8.300 nan 0.000 0.479 128 L N -0.779 120.498 121.223 0.090 0.000 2.046 128 L HA -0.236 4.103 4.340 -0.001 0.000 0.208 128 L C 2.368 179.227 176.870 -0.018 0.000 1.077 128 L CA 1.623 56.484 54.840 0.035 0.000 0.747 128 L CB -1.160 40.957 42.059 0.096 0.000 0.896 128 L HN 0.200 nan 8.230 nan 0.000 0.432 129 Y N 0.113 120.309 120.300 -0.174 0.000 2.181 129 Y HA -0.264 4.286 4.550 -0.001 0.000 0.288 129 Y C 2.496 178.291 175.900 -0.175 0.000 1.146 129 Y CA 2.106 60.097 58.100 -0.181 0.000 1.164 129 Y CB -0.266 37.999 38.460 -0.325 0.000 0.982 129 Y HN 0.365 nan 8.280 nan 0.000 0.515 130 Q N -0.044 119.571 119.800 -0.309 0.000 2.119 130 Q HA -0.141 4.198 4.340 -0.001 0.000 0.201 130 Q C 2.332 178.174 176.000 -0.263 0.000 0.972 130 Q CA 1.853 57.453 55.803 -0.339 0.000 0.847 130 Q CB -0.141 28.399 28.738 -0.329 0.000 0.903 130 Q HN 0.566 nan 8.270 nan 0.000 0.433 131 I N 0.677 121.121 120.570 -0.210 0.000 2.163 131 I HA -0.309 3.860 4.170 -0.001 0.000 0.243 131 I C 2.167 178.161 176.117 -0.205 0.000 1.085 131 I CA 1.277 62.466 61.300 -0.186 0.000 1.347 131 I CB -0.270 37.641 38.000 -0.149 0.000 1.044 131 I HN 0.211 nan 8.210 nan 0.000 0.408 132 L N 0.016 121.112 121.223 -0.212 0.000 2.109 132 L HA -0.135 4.204 4.340 -0.001 0.000 0.207 132 L C 2.749 179.479 176.870 -0.234 0.000 1.086 132 L CA 0.910 55.633 54.840 -0.195 0.000 0.760 132 L CB -0.536 41.441 42.059 -0.136 0.000 0.910 132 L HN 0.209 nan 8.230 nan 0.000 0.437 133 R N 0.396 120.688 120.500 -0.347 0.000 2.096 133 R HA -0.144 4.195 4.340 -0.001 0.000 0.235 133 R C 2.155 178.331 176.300 -0.205 0.000 1.127 133 R CA 1.569 57.497 56.100 -0.286 0.000 0.968 133 R CB -0.317 29.729 30.300 -0.425 0.000 0.861 133 R HN 0.374 nan 8.270 nan 0.000 0.440 134 G N 0.481 109.129 108.800 -0.252 0.000 2.453 134 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.215 134 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.215 134 G C 1.226 175.936 174.900 -0.316 0.000 1.147 134 G CA 0.069 44.917 45.100 -0.419 0.000 0.802 134 G HN 0.258 nan 8.290 nan 0.000 0.535 135 L N 1.014 122.079 121.223 -0.264 0.000 2.083 135 L HA 0.108 4.447 4.340 -0.001 0.000 0.209 135 L C 2.600 179.235 176.870 -0.393 0.000 1.083 135 L CA 2.066 56.701 54.840 -0.341 0.000 0.752 135 L CB -0.431 41.417 42.059 -0.352 0.000 0.899 135 L HN 0.239 nan 8.230 nan 0.000 0.433 136 K N -1.686 118.571 120.400 -0.239 0.000 2.057 136 K HA -0.284 4.035 4.320 -0.001 0.000 0.207 136 K C 2.298 178.840 176.600 -0.096 0.000 1.049 136 K CA 1.921 58.135 56.287 -0.122 0.000 0.931 136 K CB -0.490 31.984 32.500 -0.043 0.000 0.714 136 K HN 0.420 nan 8.250 nan 0.000 0.440 137 Y N 1.517 121.641 120.300 -0.294 0.000 2.145 137 Y HA -0.189 4.360 4.550 -0.002 0.000 0.286 137 Y C 1.852 177.550 175.900 -0.337 0.000 1.145 137 Y CA 1.760 59.661 58.100 -0.331 0.000 1.148 137 Y CB -0.099 38.016 38.460 -0.575 0.000 0.981 137 Y HN 0.013 nan 8.280 nan 0.000 0.507 138 I N -0.483 120.004 120.570 -0.138 0.000 2.163 138 I HA -0.393 3.776 4.170 -0.001 0.000 0.243 138 I C 2.149 178.317 176.117 0.086 0.000 1.085 138 I CA 2.029 63.320 61.300 -0.014 0.000 1.347 138 I CB -0.692 37.432 38.000 0.207 0.000 1.044 138 I HN 0.349 nan 8.210 nan 0.000 0.408 139 H N -0.368 118.693 119.070 -0.015 0.000 2.457 139 H HA -0.068 4.487 4.556 -0.001 0.000 0.294 139 H C 2.510 177.810 175.328 -0.048 0.000 1.064 139 H CA 0.725 56.770 56.048 -0.005 0.000 1.330 139 H CB 0.169 29.933 29.762 0.004 0.000 1.395 139 H HN 0.247 nan 8.280 nan 0.000 0.541 140 S N 0.719 116.415 115.700 -0.007 0.000 2.383 140 S HA -0.146 4.323 4.470 -0.001 0.000 0.229 140 S C 2.209 176.752 174.600 -0.095 0.000 1.030 140 S CA 0.889 59.034 58.200 -0.091 0.000 1.002 140 S CB -0.116 62.955 63.200 -0.216 0.000 0.829 140 S HN 0.512 nan 8.310 nan 0.000 0.467 141 A N 1.051 123.794 122.820 -0.128 0.000 2.252 141 A HA 0.203 4.522 4.320 -0.001 0.000 0.207 141 A C 0.879 178.559 177.584 0.161 0.000 1.194 141 A CA 0.466 52.533 52.037 0.051 0.000 0.809 141 A CB -0.674 18.430 19.000 0.174 0.000 0.814 141 A HN 0.512 nan 8.150 nan 0.000 0.482 142 N N -1.783 116.970 118.700 0.089 0.000 2.776 142 N HA -0.148 4.591 4.740 -0.001 0.000 0.249 142 N C -0.835 174.715 175.510 0.068 0.000 1.111 142 N CA 0.992 54.082 53.050 0.066 0.000 0.711 142 N CB -1.784 36.734 38.487 0.052 0.000 1.065 142 N HN 0.224 nan 8.380 nan 0.000 0.556 143 V N 0.961 120.952 119.914 0.128 0.000 2.628 143 V HA 0.571 4.690 4.120 -0.001 0.000 0.306 143 V C 0.554 176.780 176.094 0.220 0.000 1.045 143 V CA -0.843 61.528 62.300 0.117 0.000 0.905 143 V CB 1.948 33.874 31.823 0.172 0.000 0.997 143 V HN 0.157 nan 8.190 nan 0.000 0.436 144 L N 3.255 124.559 121.223 0.134 0.000 2.317 144 L HA 0.511 4.850 4.340 -0.001 0.000 0.281 144 L C 1.287 178.229 176.870 0.121 0.000 1.024 144 L CA -0.665 54.279 54.840 0.173 0.000 0.810 144 L CB 1.296 43.417 42.059 0.104 0.000 1.240 144 L HN 0.747 nan 8.230 nan 0.000 0.427 145 H N 3.622 122.701 119.070 0.016 0.000 2.307 145 H HA 0.004 4.560 4.556 -0.001 0.000 0.303 145 H C 0.869 176.115 175.328 -0.136 0.000 1.073 145 H CA 1.739 57.650 56.048 -0.229 0.000 1.338 145 H CB 0.510 30.060 29.762 -0.354 0.000 1.389 145 H HN 0.653 nan 8.280 nan 0.000 0.503 146 R N -0.629 119.968 120.500 0.161 0.000 3.840 146 R HA -0.177 4.162 4.340 -0.001 0.000 0.464 146 R C -0.437 175.957 176.300 0.155 0.000 0.986 146 R CA 1.153 57.344 56.100 0.150 0.000 1.305 146 R CB -1.384 28.970 30.300 0.090 0.000 1.950 146 R HN 0.387 nan 8.270 nan 0.000 0.526 147 D N -0.107 120.453 120.400 0.268 0.000 2.740 147 D HA 0.208 4.847 4.640 -0.001 0.000 0.305 147 D C -0.436 175.944 176.300 0.133 0.000 1.583 147 D CA -0.196 53.906 54.000 0.169 0.000 0.790 147 D CB 0.464 41.278 40.800 0.022 0.000 1.187 147 D HN 0.105 nan 8.370 nan 0.000 0.447 148 L N 1.884 123.115 121.223 0.014 0.000 2.499 148 L HA 0.176 4.515 4.340 -0.001 0.000 0.273 148 L C 0.425 177.082 176.870 -0.356 0.000 1.195 148 L CA 0.776 55.419 54.840 -0.328 0.000 0.882 148 L CB 0.187 42.060 42.059 -0.311 0.000 1.133 148 L HN 0.123 nan 8.230 nan 0.000 0.483 149 K N 1.947 122.088 120.400 -0.431 0.000 2.660 149 K HA 0.326 4.645 4.320 -0.001 0.000 0.285 149 K C -2.818 173.581 176.600 -0.335 0.000 0.997 149 K CA -1.434 54.464 56.287 -0.648 0.000 0.861 149 K CB 0.973 32.992 32.500 -0.801 0.000 1.469 149 K HN -0.100 nan 8.250 nan 0.000 0.395 150 P HA -0.294 nan 4.420 nan 0.000 0.216 150 P C 1.224 178.512 177.300 -0.020 0.000 1.154 150 P CA 2.232 65.304 63.100 -0.046 0.000 0.865 150 P CB 0.050 31.818 31.700 0.112 0.000 0.789 151 S N -2.236 113.452 115.700 -0.019 0.000 2.453 151 S HA -0.035 4.434 4.470 -0.001 0.000 0.231 151 S C 1.584 176.132 174.600 -0.087 0.000 1.005 151 S CA 0.747 58.915 58.200 -0.053 0.000 0.949 151 S CB -0.968 62.113 63.200 -0.198 0.000 0.774 151 S HN 0.067 nan 8.310 nan 0.000 0.510 152 N N 1.192 119.823 118.700 -0.114 0.000 2.314 152 N HA 0.310 5.050 4.740 -0.001 0.000 0.200 152 N C -0.702 174.741 175.510 -0.112 0.000 1.135 152 N CA 0.181 53.173 53.050 -0.096 0.000 0.835 152 N CB 0.148 38.579 38.487 -0.093 0.000 0.989 152 N HN 0.493 nan 8.380 nan 0.000 0.478 153 L N 1.508 122.657 121.223 -0.123 0.000 2.316 153 L HA 0.460 4.799 4.340 -0.001 0.000 0.280 153 L C -0.397 176.396 176.870 -0.128 0.000 1.006 153 L CA -0.470 54.286 54.840 -0.141 0.000 0.836 153 L CB 1.567 43.516 42.059 -0.184 0.000 1.221 153 L HN -0.249 nan 8.230 nan 0.000 0.418 154 L N 4.400 125.558 121.223 -0.107 0.000 2.322 154 L HA 0.576 4.915 4.340 -0.001 0.000 0.279 154 L C -0.561 176.236 176.870 -0.121 0.000 1.036 154 L CA -0.751 54.034 54.840 -0.092 0.000 0.807 154 L CB 1.632 43.661 42.059 -0.051 0.000 1.226 154 L HN 0.339 nan 8.230 nan 0.000 0.433 155 L N 2.254 123.409 121.223 -0.114 0.000 2.341 155 L HA 0.523 4.862 4.340 -0.001 0.000 0.267 155 L C -0.293 176.561 176.870 -0.027 0.000 1.009 155 L CA -0.650 54.127 54.840 -0.104 0.000 0.819 155 L CB 1.677 43.633 42.059 -0.172 0.000 1.323 155 L HN 0.681 nan 8.230 nan 0.000 0.425 156 N N -1.552 117.156 118.700 0.014 0.000 2.741 156 N HA 0.263 5.003 4.740 -0.001 0.000 0.310 156 N C 0.800 176.350 175.510 0.067 0.000 1.295 156 N CA 0.004 53.076 53.050 0.036 0.000 0.893 156 N CB 0.031 38.541 38.487 0.038 0.000 1.247 156 N HN 0.584 nan 8.380 nan 0.000 0.596 157 T N -4.707 109.886 114.554 0.064 0.000 2.977 157 T HA -0.137 4.212 4.350 -0.001 0.000 0.271 157 T C 1.080 175.840 174.700 0.099 0.000 1.105 157 T CA 1.587 63.731 62.100 0.074 0.000 1.116 157 T CB -1.161 67.742 68.868 0.058 0.000 0.878 157 T HN 0.754 nan 8.240 nan 0.000 0.509 158 T N -2.516 112.104 114.554 0.109 0.000 3.176 158 T HA 0.366 4.715 4.350 -0.001 0.000 0.263 158 T C 0.807 175.632 174.700 0.209 0.000 1.021 158 T CA -0.068 62.110 62.100 0.131 0.000 0.905 158 T CB -1.287 67.639 68.868 0.097 0.000 1.057 158 T HN 0.468 nan 8.240 nan 0.000 0.558 159 C N 2.199 121.642 119.300 0.239 0.000 4.497 159 C HA -0.122 4.338 4.460 -0.001 0.000 0.292 159 C C 0.044 175.255 174.990 0.367 0.000 1.366 159 C CA -0.081 59.166 59.018 0.381 0.000 1.987 159 C CB -2.585 25.527 27.740 0.621 0.000 1.241 159 C HN 0.662 nan 8.230 nan 0.000 0.788 160 D N 0.447 120.967 120.400 0.199 0.000 2.308 160 D HA 0.470 5.110 4.640 -0.001 0.000 0.251 160 D C 0.066 176.363 176.300 -0.006 0.000 1.127 160 D CA 0.106 54.173 54.000 0.112 0.000 0.876 160 D CB 1.206 42.060 40.800 0.090 0.000 1.176 160 D HN 0.566 nan 8.370 nan 0.000 0.446 161 L N 2.013 123.187 121.223 -0.082 0.000 2.309 161 L HA 0.379 4.718 4.340 -0.001 0.000 0.282 161 L C -0.611 176.205 176.870 -0.089 0.000 1.036 161 L CA -0.546 54.208 54.840 -0.143 0.000 0.806 161 L CB 0.749 42.674 42.059 -0.223 0.000 1.220 161 L HN 0.121 nan 8.230 nan 0.000 0.429 162 K N 6.553 126.909 120.400 -0.075 0.000 2.545 162 K HA 0.450 4.770 4.320 -0.001 0.000 0.252 162 K C -1.040 175.551 176.600 -0.015 0.000 0.948 162 K CA -0.599 55.673 56.287 -0.024 0.000 0.827 162 K CB 2.174 34.673 32.500 -0.002 0.000 1.128 162 K HN 0.551 nan 8.250 nan 0.000 0.429 163 I N 3.331 123.910 120.570 0.014 0.000 2.648 163 I HA -0.009 4.160 4.170 -0.001 0.000 0.284 163 I C 0.801 177.042 176.117 0.206 0.000 1.153 163 I CA -0.148 61.174 61.300 0.037 0.000 1.426 163 I CB 0.089 38.109 38.000 0.033 0.000 1.381 163 I HN 0.728 nan 8.210 nan 0.000 0.571 164 C N 3.018 122.426 119.300 0.180 0.000 3.161 164 C HA 0.636 5.096 4.460 -0.001 0.000 0.330 164 C C -0.324 174.855 174.990 0.315 0.000 1.396 164 C CA -0.803 58.373 59.018 0.264 0.000 1.536 164 C CB 1.578 29.381 27.740 0.105 0.000 1.978 164 C HN 0.925 nan 8.230 nan 0.000 0.454 165 D N -0.222 120.341 120.400 0.272 0.000 4.044 165 D HA -0.161 4.479 4.640 -0.001 0.000 0.242 165 D C -0.877 175.445 176.300 0.037 0.000 1.076 165 D CA 0.449 54.532 54.000 0.140 0.000 1.171 165 D CB -0.975 39.847 40.800 0.038 0.000 0.866 165 D HN 0.596 nan 8.370 nan 0.000 0.413 166 F N 1.004 120.849 119.950 -0.174 0.000 2.916 166 F HA 0.413 4.940 4.527 -0.001 0.000 0.294 166 F C 2.046 177.693 175.800 -0.254 0.000 1.189 166 F CA 0.078 57.894 58.000 -0.307 0.000 1.369 166 F CB 0.680 39.541 39.000 -0.232 0.000 0.961 166 F HN 0.349 nan 8.300 nan 0.000 0.508 167 G N -0.375 108.366 108.800 -0.100 0.000 2.484 167 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.218 167 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.218 167 G C 1.346 176.178 174.900 -0.114 0.000 1.130 167 G CA 0.422 45.469 45.100 -0.088 0.000 0.784 167 G HN 0.416 nan 8.290 nan 0.000 0.543 168 L N 0.432 121.547 121.223 -0.181 0.000 2.693 168 L HA 0.396 4.736 4.340 -0.001 0.000 0.235 168 L C 1.385 178.160 176.870 -0.158 0.000 1.127 168 L CA -0.510 54.234 54.840 -0.160 0.000 0.914 168 L CB 0.390 42.349 42.059 -0.166 0.000 1.193 168 L HN 0.150 nan 8.230 nan 0.000 0.502 169 A N 1.342 124.042 122.820 -0.201 0.000 2.488 169 A HA 0.441 4.760 4.320 -0.001 0.000 0.249 169 A C 0.110 177.636 177.584 -0.097 0.000 1.083 169 A CA 0.310 52.255 52.037 -0.153 0.000 0.768 169 A CB 0.120 19.067 19.000 -0.088 0.000 1.017 169 A HN 0.353 nan 8.150 nan 0.000 0.496 170 R N 1.380 121.838 120.500 -0.070 0.000 2.807 170 R HA 0.503 4.842 4.340 -0.001 0.000 0.276 170 R C -1.108 175.131 176.300 -0.101 0.000 0.979 170 R CA -1.035 55.006 56.100 -0.098 0.000 0.928 170 R CB 1.908 32.145 30.300 -0.105 0.000 1.191 170 R HN 0.475 nan 8.270 nan 0.000 0.471 171 V N 2.294 122.136 119.914 -0.120 0.000 2.599 171 V HA 0.039 4.159 4.120 -0.001 0.000 0.300 171 V C 0.743 176.800 176.094 -0.060 0.000 1.034 171 V CA -0.012 62.247 62.300 -0.068 0.000 1.115 171 V CB 0.836 32.670 31.823 0.017 0.000 0.934 171 V HN 0.914 nan 8.190 nan 0.000 0.485 172 A N 3.996 126.803 122.820 -0.023 0.000 2.531 172 A HA 0.308 4.628 4.320 -0.001 0.000 0.236 172 A C 0.339 177.937 177.584 0.023 0.000 1.062 172 A CA 0.183 52.217 52.037 -0.004 0.000 0.760 172 A CB -0.067 18.921 19.000 -0.020 0.000 0.995 172 A HN 0.899 nan 8.150 nan 0.000 0.501 173 D N 2.184 122.634 120.400 0.082 0.000 2.586 173 D HA 0.270 4.909 4.640 -0.001 0.000 0.254 173 D C -1.984 174.463 176.300 0.245 0.000 1.248 173 D CA -1.028 53.084 54.000 0.187 0.000 0.843 173 D CB 0.977 41.868 40.800 0.152 0.000 1.332 173 D HN 0.213 nan 8.370 nan 0.000 0.523 174 P HA -0.023 nan 4.420 nan 0.000 0.226 174 P C 0.553 177.878 177.300 0.042 0.000 1.153 174 P CA 0.614 63.757 63.100 0.071 0.000 0.777 174 P CB 0.703 32.425 31.700 0.036 0.000 0.794 175 D N -0.972 119.476 120.400 0.080 0.000 2.289 175 D HA -0.055 4.584 4.640 -0.001 0.000 0.207 175 D C 0.439 176.621 176.300 -0.197 0.000 0.966 175 D CA 1.031 55.000 54.000 -0.051 0.000 0.868 175 D CB -0.475 40.274 40.800 -0.085 0.000 0.943 175 D HN 0.410 nan 8.370 nan 0.000 0.514 176 H N -0.641 118.518 119.070 0.149 0.000 2.507 176 H HA 0.189 4.744 4.556 -0.001 0.000 0.271 176 H C 0.290 175.701 175.328 0.138 0.000 1.224 176 H CA -0.215 55.932 56.048 0.166 0.000 1.000 176 H CB 0.609 30.491 29.762 0.200 0.000 1.663 176 H HN -0.106 nan 8.280 nan 0.000 0.548 177 D N -0.630 119.775 120.400 0.008 0.000 2.301 177 D HA -0.078 4.561 4.640 -0.001 0.000 0.206 177 D C 0.502 176.657 176.300 -0.241 0.000 0.979 177 D CA 0.274 54.175 54.000 -0.165 0.000 0.874 177 D CB 0.395 41.035 40.800 -0.267 0.000 0.968 177 D HN 0.405 nan 8.370 nan 0.000 0.510 178 H N -0.153 118.921 119.070 0.007 0.000 2.707 178 H HA 0.393 4.948 4.556 -0.001 0.000 0.359 178 H C 0.210 175.533 175.328 -0.009 0.000 1.113 178 H CA 0.553 56.598 56.048 -0.005 0.000 1.422 178 H CB 1.392 31.162 29.762 0.014 0.000 1.443 178 H HN 0.028 nan 8.280 nan 0.000 0.591 179 T N 0.111 114.734 114.554 0.116 0.000 2.693 179 T HA 0.442 4.792 4.350 -0.001 0.000 0.304 179 T C 0.168 174.915 174.700 0.078 0.000 1.471 179 T CA -0.100 62.040 62.100 0.067 0.000 0.993 179 T CB 1.016 69.890 68.868 0.010 0.000 1.554 179 T HN 0.722 nan 8.240 nan 0.000 0.496 180 G N 0.498 109.339 108.800 0.068 0.000 2.611 180 G HA2 0.467 4.426 3.960 -0.001 0.000 0.273 180 G HA3 0.467 4.426 3.960 -0.001 0.000 0.273 180 G C -0.704 174.287 174.900 0.152 0.000 1.305 180 G CA -0.417 44.741 45.100 0.097 0.000 1.010 180 G HN 0.549 nan 8.290 nan 0.000 0.509 181 F N -0.073 119.878 119.950 0.002 0.000 2.412 181 F HA 0.403 4.929 4.527 -0.001 0.000 0.348 181 F C 1.076 176.872 175.800 -0.007 0.000 1.102 181 F CA -1.110 56.890 58.000 0.001 0.000 1.196 181 F CB 0.155 39.155 39.000 -0.000 0.000 1.144 181 F HN 0.376 nan 8.300 nan 0.000 0.541 182 L N 3.941 124.859 121.223 -0.508 0.000 3.597 182 L HA -0.249 4.090 4.340 -0.001 0.000 0.440 182 L C -0.098 176.589 176.870 -0.304 0.000 1.277 182 L CA 0.315 54.852 54.840 -0.505 0.000 0.852 182 L CB -2.415 39.080 42.059 -0.940 0.000 1.708 182 L HN 0.688 nan 8.230 nan 0.000 0.885 183 T N 0.701 115.216 114.554 -0.065 0.000 2.851 183 T HA 0.222 4.571 4.350 -0.001 0.000 0.298 183 T C 0.636 175.350 174.700 0.024 0.000 0.977 183 T CA -0.641 61.433 62.100 -0.043 0.000 1.126 183 T CB 1.034 69.909 68.868 0.010 0.000 0.916 183 T HN 0.101 nan 8.240 nan 0.000 0.529 184 E N 2.010 122.174 120.200 -0.060 0.000 2.437 184 E HA 0.098 4.448 4.350 -0.001 0.000 0.263 184 E C -0.798 175.931 176.600 0.216 0.000 1.030 184 E CA 0.406 56.815 56.400 0.016 0.000 0.934 184 E CB 0.371 30.040 29.700 -0.053 0.000 0.943 184 E HN 0.617 nan 8.360 nan 0.000 0.444 185 Y N 0.197 120.565 120.300 0.113 0.000 2.571 185 Y HA 0.192 4.742 4.550 -0.001 0.000 0.341 185 Y C 0.559 176.496 175.900 0.061 0.000 1.076 185 Y CA -0.650 57.496 58.100 0.077 0.000 1.029 185 Y CB 1.224 39.734 38.460 0.084 0.000 1.308 185 Y HN 0.148 nan 8.280 nan 0.000 0.461 186 V N 0.327 119.942 119.914 -0.499 0.000 3.263 186 V HA 0.548 4.667 4.120 -0.001 0.000 0.248 186 V C 0.933 176.871 176.094 -0.260 0.000 1.145 186 V CA 0.547 62.665 62.300 -0.303 0.000 1.107 186 V CB -0.678 30.977 31.823 -0.280 0.000 0.797 186 V HN 0.760 nan 8.190 nan 0.000 0.467 187 A N 1.263 123.829 122.820 -0.423 0.000 2.366 187 A HA 0.462 4.782 4.320 -0.001 0.000 0.250 187 A C 0.709 178.343 177.584 0.084 0.000 1.099 187 A CA 0.448 52.432 52.037 -0.088 0.000 0.794 187 A CB -0.410 18.642 19.000 0.087 0.000 1.056 187 A HN 0.450 nan 8.150 nan 0.000 0.499 188 T N 0.964 115.580 114.554 0.104 0.000 2.928 188 T HA 0.086 4.436 4.350 -0.001 0.000 0.305 188 T C 1.556 176.379 174.700 0.204 0.000 1.035 188 T CA 0.160 62.329 62.100 0.114 0.000 1.145 188 T CB 0.450 69.407 68.868 0.147 0.000 0.963 188 T HN 0.681 nan 8.240 nan 0.000 0.545 189 R N 1.896 122.442 120.500 0.076 0.000 2.090 189 R HA -0.052 4.287 4.340 -0.001 0.000 0.228 189 R C 1.350 177.783 176.300 0.221 0.000 1.110 189 R CA 1.136 57.303 56.100 0.112 0.000 0.973 189 R CB -0.001 30.329 30.300 0.051 0.000 0.869 189 R HN 0.676 nan 8.270 nan 0.000 0.440 190 W N -0.160 121.119 121.300 -0.035 0.000 2.611 190 W HA -0.075 4.584 4.660 -0.001 0.000 0.251 190 W C 0.481 176.746 176.519 -0.424 0.000 1.265 190 W CA 0.462 57.619 57.345 -0.313 0.000 1.295 190 W CB -0.361 28.748 29.460 -0.585 0.000 1.129 190 W HN 0.213 nan 8.180 nan 0.000 0.630 191 Y N -0.960 119.583 120.300 0.406 0.000 2.641 191 Y HA 0.303 4.852 4.550 -0.001 0.000 0.248 191 Y C 0.858 176.998 175.900 0.400 0.000 1.170 191 Y CA -0.899 57.435 58.100 0.391 0.000 1.201 191 Y CB -0.318 38.300 38.460 0.263 0.000 1.232 191 Y HN -0.384 nan 8.280 nan 0.000 0.537 192 R N 1.509 122.227 120.500 0.363 0.000 2.442 192 R HA 0.509 4.849 4.340 -0.001 0.000 0.291 192 R C 0.341 176.587 176.300 -0.090 0.000 1.069 192 R CA -0.196 55.983 56.100 0.131 0.000 1.022 192 R CB 0.702 31.002 30.300 0.000 0.000 0.976 192 R HN 0.207 nan 8.270 nan 0.000 0.443 193 A N 5.201 127.785 122.820 -0.394 0.000 2.386 193 A HA 0.218 4.537 4.320 -0.001 0.000 0.248 193 A C -1.538 175.520 177.584 -0.877 0.000 1.082 193 A CA -1.384 49.995 52.037 -1.098 0.000 0.789 193 A CB 0.141 18.679 19.000 -0.771 0.000 1.025 193 A HN 0.512 nan 8.150 nan 0.000 0.490 194 P HA -0.233 nan 4.420 nan 0.000 0.216 194 P C 1.239 178.227 177.300 -0.520 0.000 1.154 194 P CA 1.819 64.499 63.100 -0.700 0.000 0.865 194 P CB 0.073 31.249 31.700 -0.872 0.000 0.789 195 E N -0.488 119.363 120.200 -0.581 0.000 2.338 195 E HA -0.126 4.223 4.350 -0.001 0.000 0.197 195 E C 1.845 178.258 176.600 -0.312 0.000 1.007 195 E CA 0.915 57.080 56.400 -0.392 0.000 0.849 195 E CB -1.030 28.439 29.700 -0.384 0.000 0.774 195 E HN 0.196 nan 8.360 nan 0.000 0.506 196 I N 1.045 121.370 120.570 -0.408 0.000 2.163 196 I HA -0.227 3.942 4.170 -0.001 0.000 0.243 196 I C 2.154 178.107 176.117 -0.274 0.000 1.085 196 I CA 1.345 62.376 61.300 -0.448 0.000 1.347 196 I CB -0.728 36.879 38.000 -0.655 0.000 1.044 196 I HN 0.142 nan 8.210 nan 0.000 0.408 197 M N -0.631 118.818 119.600 -0.252 0.000 2.562 197 M HA -0.014 4.466 4.480 -0.001 0.000 0.257 197 M C 2.012 178.382 176.300 0.117 0.000 1.099 197 M CA 1.154 56.383 55.300 -0.119 0.000 1.099 197 M CB -0.336 32.108 32.600 -0.261 0.000 1.427 197 M HN 0.095 nan 8.290 nan 0.000 0.489 198 L N -0.558 120.721 121.223 0.094 0.000 2.265 198 L HA 0.104 4.443 4.340 -0.001 0.000 0.195 198 L C 1.111 178.093 176.870 0.187 0.000 1.083 198 L CA 1.171 56.155 54.840 0.239 0.000 0.798 198 L CB -0.065 42.052 42.059 0.097 0.000 0.989 198 L HN 0.520 nan 8.230 nan 0.000 0.472 199 N N -2.785 115.945 118.700 0.050 0.000 2.002 199 N HA 0.001 4.741 4.740 -0.001 0.000 0.222 199 N C -0.169 175.334 175.510 -0.012 0.000 1.396 199 N CA -0.209 52.874 53.050 0.056 0.000 0.725 199 N CB 0.616 39.157 38.487 0.089 0.000 1.183 199 N HN -0.045 nan 8.380 nan 0.000 0.540 200 S N 0.467 116.101 115.700 -0.109 0.000 2.472 200 S HA 0.345 4.814 4.470 -0.001 0.000 0.303 200 S C 0.574 175.028 174.600 -0.244 0.000 1.099 200 S CA -0.562 57.520 58.200 -0.196 0.000 1.077 200 S CB 1.994 65.038 63.200 -0.260 0.000 1.031 200 S HN 0.267 nan 8.310 nan 0.000 0.487 201 K N 2.532 122.747 120.400 -0.309 0.000 2.400 201 K HA 0.203 4.523 4.320 -0.001 0.000 0.194 201 K C 0.974 177.310 176.600 -0.441 0.000 1.033 201 K CA 0.657 56.686 56.287 -0.431 0.000 1.021 201 K CB 0.022 32.092 32.500 -0.717 0.000 0.808 201 K HN 1.027 nan 8.250 nan 0.000 0.505 202 G N 0.881 109.488 108.800 -0.322 0.000 2.140 202 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.211 202 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.211 202 G C -0.182 174.820 174.900 0.170 0.000 1.013 202 G CA -0.262 44.800 45.100 -0.064 0.000 0.705 202 G HN 0.219 nan 8.290 nan 0.000 0.508 203 Y N 1.064 121.368 120.300 0.007 0.000 2.658 203 Y HA 0.434 4.983 4.550 -0.001 0.000 0.276 203 Y C 1.225 177.109 175.900 -0.026 0.000 1.167 203 Y CA -0.449 57.658 58.100 0.012 0.000 1.230 203 Y CB 0.029 38.512 38.460 0.039 0.000 1.144 203 Y HN 0.159 nan 8.280 nan 0.000 0.529 204 T N -0.562 114.037 114.554 0.074 0.000 2.863 204 T HA 0.225 4.574 4.350 -0.001 0.000 0.285 204 T C 0.960 175.621 174.700 -0.066 0.000 1.009 204 T CA -0.860 61.229 62.100 -0.020 0.000 0.989 204 T CB 2.032 70.853 68.868 -0.080 0.000 1.004 204 T HN 0.047 nan 8.240 nan 0.000 0.455 205 K N 1.038 121.345 120.400 -0.154 0.000 2.360 205 K HA -0.104 4.216 4.320 -0.001 0.000 0.201 205 K C 2.189 178.715 176.600 -0.123 0.000 1.046 205 K CA 1.269 57.358 56.287 -0.329 0.000 0.940 205 K CB -0.060 32.100 32.500 -0.567 0.000 0.748 205 K HN 0.623 nan 8.250 nan 0.000 0.465 206 S N 0.664 116.326 115.700 -0.063 0.000 2.515 206 S HA -0.040 4.429 4.470 -0.001 0.000 0.231 206 S C 1.835 176.465 174.600 0.051 0.000 0.987 206 S CA 0.327 58.527 58.200 -0.001 0.000 0.936 206 S CB -0.179 62.985 63.200 -0.060 0.000 0.766 206 S HN 0.094 nan 8.310 nan 0.000 0.528 207 I N 3.032 123.620 120.570 0.030 0.000 2.226 207 I HA -0.138 4.031 4.170 -0.001 0.000 0.245 207 I C 1.893 178.121 176.117 0.185 0.000 1.100 207 I CA 1.479 62.824 61.300 0.076 0.000 1.374 207 I CB -1.125 36.915 38.000 0.067 0.000 1.057 207 I HN 0.279 nan 8.210 nan 0.000 0.413 208 D N 0.556 121.071 120.400 0.192 0.000 2.117 208 D HA -0.112 4.527 4.640 -0.001 0.000 0.198 208 D C 2.280 178.692 176.300 0.188 0.000 0.982 208 D CA 0.805 54.934 54.000 0.215 0.000 0.828 208 D CB -0.021 40.969 40.800 0.317 0.000 0.967 208 D HN 0.159 nan 8.370 nan 0.000 0.464 209 I N 0.622 121.312 120.570 0.200 0.000 2.208 209 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 209 I C 2.401 178.609 176.117 0.152 0.000 1.097 209 I CA 0.858 62.246 61.300 0.147 0.000 1.363 209 I CB -1.082 37.004 38.000 0.142 0.000 1.051 209 I HN 0.307 nan 8.210 nan 0.000 0.413 210 W N 2.080 123.413 121.300 0.056 0.000 2.335 210 W HA -0.244 4.416 4.660 -0.001 0.000 0.311 210 W C 2.562 179.156 176.519 0.124 0.000 1.213 210 W CA 1.953 59.345 57.345 0.079 0.000 1.274 210 W CB -0.252 29.242 29.460 0.058 0.000 1.148 210 W HN 0.110 nan 8.180 nan 0.000 0.498 211 S N 0.809 116.681 115.700 0.286 0.000 2.356 211 S HA -0.194 4.275 4.470 -0.001 0.000 0.223 211 S C 1.861 176.506 174.600 0.075 0.000 1.032 211 S CA 1.751 60.099 58.200 0.245 0.000 1.005 211 S CB -0.865 62.471 63.200 0.227 0.000 0.867 211 S HN 0.131 nan 8.310 nan 0.000 0.449 212 V N 1.889 121.807 119.914 0.007 0.000 2.324 212 V HA -0.221 3.898 4.120 -0.001 0.000 0.250 212 V C 2.629 178.660 176.094 -0.105 0.000 1.060 212 V CA 2.043 64.308 62.300 -0.058 0.000 1.042 212 V CB -1.607 30.178 31.823 -0.062 0.000 0.650 212 V HN 0.602 nan 8.190 nan 0.000 0.450 213 G N -1.318 107.382 108.800 -0.166 0.000 2.418 213 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.217 213 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.217 213 G C 1.741 176.462 174.900 -0.298 0.000 1.158 213 G CA 1.280 46.208 45.100 -0.287 0.000 0.771 213 G HN 0.539 nan 8.290 nan 0.000 0.545 214 C N 0.453 119.602 119.300 -0.252 0.000 2.413 214 C HA -0.016 4.444 4.460 -0.001 0.000 0.276 214 C C 2.849 177.834 174.990 -0.008 0.000 1.248 214 C CA 0.590 59.532 59.018 -0.125 0.000 1.742 214 C CB -0.979 26.827 27.740 0.111 0.000 2.017 214 C HN 0.482 nan 8.230 nan 0.000 0.481 215 I N 0.188 120.787 120.570 0.048 0.000 2.315 215 I HA -0.176 3.993 4.170 -0.001 0.000 0.248 215 I C 2.566 178.647 176.117 -0.061 0.000 1.117 215 I CA 1.034 62.355 61.300 0.034 0.000 1.404 215 I CB -0.555 37.431 38.000 -0.023 0.000 1.071 215 I HN 0.331 nan 8.210 nan 0.000 0.419 216 L N 1.173 122.315 121.223 -0.136 0.000 2.093 216 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 216 L C 2.659 179.343 176.870 -0.311 0.000 1.085 216 L CA 2.163 56.883 54.840 -0.199 0.000 0.755 216 L CB -0.832 41.080 42.059 -0.246 0.000 0.904 216 L HN 0.220 nan 8.230 nan 0.000 0.435 217 A N -0.443 122.170 122.820 -0.346 0.000 1.930 217 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 217 A C 2.203 179.644 177.584 -0.239 0.000 1.175 217 A CA 1.565 53.345 52.037 -0.427 0.000 0.627 217 A CB -0.453 18.384 19.000 -0.273 0.000 0.815 217 A HN 0.582 nan 8.150 nan 0.000 0.443 218 E N -0.780 119.346 120.200 -0.124 0.000 2.208 218 E HA -0.064 4.286 4.350 -0.001 0.000 0.193 218 E C 1.925 178.500 176.600 -0.040 0.000 0.988 218 E CA 0.749 57.127 56.400 -0.037 0.000 0.828 218 E CB -0.150 29.579 29.700 0.048 0.000 0.763 218 E HN 0.626 nan 8.360 nan 0.000 0.478 219 M N 0.115 119.672 119.600 -0.072 0.000 2.394 219 M HA -0.065 4.415 4.480 -0.001 0.000 0.264 219 M C 1.850 178.089 176.300 -0.102 0.000 1.073 219 M CA 0.819 56.087 55.300 -0.053 0.000 1.111 219 M CB 0.151 32.742 32.600 -0.015 0.000 1.401 219 M HN 0.223 nan 8.290 nan 0.000 0.448 220 L N -1.440 119.671 121.223 -0.187 0.000 2.313 220 L HA -0.056 4.283 4.340 -0.001 0.000 0.214 220 L C 1.429 178.294 176.870 -0.007 0.000 1.119 220 L CA 0.708 55.426 54.840 -0.204 0.000 0.809 220 L CB -0.032 41.680 42.059 -0.577 0.000 0.933 220 L HN 0.154 nan 8.230 nan 0.000 0.449 221 S N -1.751 113.980 115.700 0.051 0.000 2.817 221 S HA 0.125 4.594 4.470 -0.001 0.000 0.262 221 S C 0.330 174.978 174.600 0.080 0.000 1.051 221 S CA -0.373 57.911 58.200 0.141 0.000 1.185 221 S CB 0.480 63.837 63.200 0.261 0.000 1.152 221 S HN 0.333 nan 8.310 nan 0.000 0.653 222 N N 1.391 120.114 118.700 0.037 0.000 2.713 222 N HA -0.189 4.551 4.740 -0.001 0.000 0.251 222 N C -0.323 175.191 175.510 0.006 0.000 1.117 222 N CA 1.020 54.081 53.050 0.019 0.000 0.770 222 N CB -0.725 37.783 38.487 0.034 0.000 1.137 222 N HN 0.436 nan 8.380 nan 0.000 0.566 223 R N -0.409 120.095 120.500 0.007 0.000 2.670 223 R HA 0.455 4.794 4.340 -0.001 0.000 0.289 223 R C -2.702 173.555 176.300 -0.072 0.000 0.965 223 R CA -1.914 54.164 56.100 -0.036 0.000 0.899 223 R CB 1.475 31.750 30.300 -0.041 0.000 1.173 223 R HN -0.130 nan 8.270 nan 0.000 0.456 224 P HA -0.032 nan 4.420 nan 0.000 0.266 224 P C 0.336 177.436 177.300 -0.332 0.000 1.195 224 P CA 0.018 62.961 63.100 -0.261 0.000 0.768 224 P CB 0.526 31.885 31.700 -0.569 0.000 0.838 225 I N 3.034 123.370 120.570 -0.389 0.000 2.277 225 I HA 0.043 4.212 4.170 -0.001 0.000 0.243 225 I C 0.264 175.988 176.117 -0.655 0.000 1.094 225 I CA 1.299 62.262 61.300 -0.562 0.000 1.393 225 I CB -0.122 37.375 38.000 -0.839 0.000 1.078 225 I HN 0.094 nan 8.210 nan 0.000 0.417 226 F N 3.164 123.006 119.950 -0.180 0.000 2.453 226 F HA 0.455 4.981 4.527 -0.001 0.000 0.358 226 F C -2.240 173.207 175.800 -0.589 0.000 1.129 226 F CA -3.004 54.872 58.000 -0.206 0.000 1.200 226 F CB 0.241 39.252 39.000 0.019 0.000 1.431 226 F HN 0.029 nan 8.300 nan 0.000 0.503 227 P HA 0.191 nan 4.420 nan 0.000 0.219 227 P C 0.469 177.221 177.300 -0.914 0.000 1.847 227 P CA 0.088 62.343 63.100 -1.407 0.000 1.059 227 P CB 0.640 31.598 31.700 -1.236 0.000 1.900 228 G N 2.052 110.541 108.800 -0.518 0.000 2.442 228 G HA2 0.066 4.026 3.960 -0.001 0.000 0.249 228 G HA3 0.066 4.026 3.960 -0.001 0.000 0.249 228 G C 0.712 175.669 174.900 0.095 0.000 1.263 228 G CA -0.471 44.468 45.100 -0.268 0.000 0.846 228 G HN 0.228 nan 8.290 nan 0.000 0.555 229 K N 0.084 120.502 120.400 0.030 0.000 2.361 229 K HA 0.112 4.432 4.320 -0.001 0.000 0.196 229 K C 0.323 177.056 176.600 0.222 0.000 1.039 229 K CA 0.662 57.055 56.287 0.175 0.000 1.001 229 K CB 0.192 32.833 32.500 0.235 0.000 0.795 229 K HN 0.895 nan 8.250 nan 0.000 0.495 230 H N -5.584 113.583 119.070 0.163 0.000 2.918 230 H HA 0.079 4.634 4.556 -0.001 0.000 0.303 230 H C 0.374 175.798 175.328 0.161 0.000 1.380 230 H CA -0.984 55.154 56.048 0.150 0.000 1.134 230 H CB 0.076 29.917 29.762 0.132 0.000 1.842 230 H HN -0.163 nan 8.280 nan 0.000 0.533 231 Y N 0.461 120.875 120.300 0.191 0.000 2.040 231 Y HA -0.250 4.299 4.550 -0.001 0.000 0.275 231 Y C 1.938 177.865 175.900 0.045 0.000 1.171 231 Y CA 2.435 60.585 58.100 0.085 0.000 1.123 231 Y CB -0.161 38.325 38.460 0.043 0.000 0.963 231 Y HN 0.528 nan 8.280 nan 0.000 0.493 232 L N 0.334 121.744 121.223 0.312 0.000 2.341 232 L HA -0.020 4.320 4.340 -0.001 0.000 0.214 232 L C 1.631 178.547 176.870 0.076 0.000 1.115 232 L CA 1.835 56.774 54.840 0.165 0.000 0.820 232 L CB -0.748 41.434 42.059 0.204 0.000 0.944 232 L HN 0.298 nan 8.230 nan 0.000 0.452 233 D N -1.169 119.195 120.400 -0.060 0.000 2.219 233 D HA -0.237 4.402 4.640 -0.001 0.000 0.205 233 D C 2.073 178.418 176.300 0.074 0.000 0.970 233 D CA 0.743 54.670 54.000 -0.121 0.000 0.851 233 D CB 0.190 40.608 40.800 -0.638 0.000 0.943 233 D HN 0.340 nan 8.370 nan 0.000 0.488 234 Q N -0.198 119.592 119.800 -0.017 0.000 2.124 234 Q HA -0.084 4.255 4.340 -0.001 0.000 0.202 234 Q C 1.893 177.903 176.000 0.016 0.000 0.977 234 Q CA 0.997 56.801 55.803 0.001 0.000 0.850 234 Q CB -0.533 28.166 28.738 -0.064 0.000 0.901 234 Q HN 0.385 nan 8.270 nan 0.000 0.429 235 L N 0.118 121.338 121.223 -0.006 0.000 2.156 235 L HA -0.004 4.336 4.340 -0.001 0.000 0.208 235 L C 1.323 178.244 176.870 0.086 0.000 1.095 235 L CA 1.718 56.574 54.840 0.026 0.000 0.770 235 L CB -0.588 41.517 42.059 0.076 0.000 0.914 235 L HN 0.305 nan 8.230 nan 0.000 0.439 236 N N -1.742 117.029 118.700 0.118 0.000 2.084 236 N HA -0.197 4.542 4.740 -0.001 0.000 0.190 236 N C 1.698 177.231 175.510 0.038 0.000 1.030 236 N CA 1.211 54.310 53.050 0.082 0.000 0.849 236 N CB -0.295 38.230 38.487 0.063 0.000 1.012 236 N HN 0.482 nan 8.380 nan 0.000 0.423 237 H N 0.907 119.985 119.070 0.014 0.000 2.319 237 H HA -0.081 4.475 4.556 -0.001 0.000 0.299 237 H C 2.245 177.595 175.328 0.036 0.000 1.092 237 H CA 1.152 57.242 56.048 0.071 0.000 1.302 237 H CB -0.085 29.761 29.762 0.139 0.000 1.373 237 H HN 0.246 nan 8.280 nan 0.000 0.497 238 I N 0.764 121.278 120.570 -0.092 0.000 2.179 238 I HA -0.268 3.902 4.170 -0.001 0.000 0.242 238 I C 2.410 178.467 176.117 -0.101 0.000 1.088 238 I CA 0.969 61.978 61.300 -0.484 0.000 1.357 238 I CB -0.241 37.498 38.000 -0.436 0.000 1.051 238 I HN 0.143 nan 8.210 nan 0.000 0.409 239 L N 0.446 121.653 121.223 -0.028 0.000 2.362 239 L HA -0.083 4.257 4.340 -0.001 0.000 0.219 239 L C 2.428 179.265 176.870 -0.054 0.000 1.134 239 L CA 0.988 55.807 54.840 -0.034 0.000 0.807 239 L CB -0.796 41.244 42.059 -0.032 0.000 0.927 239 L HN 0.316 nan 8.230 nan 0.000 0.447 240 G N -0.534 108.250 108.800 -0.027 0.000 2.650 240 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.214 240 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.214 240 G C 1.452 176.329 174.900 -0.037 0.000 1.136 240 G CA 0.259 45.330 45.100 -0.048 0.000 0.789 240 G HN 0.333 nan 8.290 nan 0.000 0.536 241 I N -0.900 119.682 120.570 0.020 0.000 3.812 241 I HA 0.203 4.372 4.170 -0.001 0.000 0.292 241 I C 2.064 178.116 176.117 -0.109 0.000 1.206 241 I CA 0.109 61.399 61.300 -0.015 0.000 1.370 241 I CB 0.188 38.300 38.000 0.187 0.000 1.328 241 I HN -0.008 nan 8.210 nan 0.000 0.453 242 L N 1.130 122.354 121.223 0.002 0.000 2.395 242 L HA 0.195 4.535 4.340 -0.001 0.000 0.218 242 L C 1.177 178.000 176.870 -0.078 0.000 1.130 242 L CA 0.573 55.414 54.840 0.002 0.000 0.826 242 L CB -0.847 41.321 42.059 0.181 0.000 0.941 242 L HN 0.462 nan 8.230 nan 0.000 0.451 243 G N -0.339 108.393 108.800 -0.114 0.000 2.760 243 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.246 243 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.246 243 G C -0.246 174.537 174.900 -0.195 0.000 1.359 243 G CA -0.471 44.527 45.100 -0.169 0.000 0.861 243 G HN 0.123 nan 8.290 nan 0.000 0.541 244 S N 2.499 118.072 115.700 -0.213 0.000 2.560 244 S HA 0.439 4.908 4.470 -0.001 0.000 0.284 244 S C -1.443 173.008 174.600 -0.250 0.000 1.327 244 S CA 0.152 58.232 58.200 -0.201 0.000 1.055 244 S CB 0.923 64.080 63.200 -0.071 0.000 0.868 244 S HN 0.769 nan 8.310 nan 0.000 0.506 245 P HA 0.150 nan 4.420 nan 0.000 0.276 245 P C 0.020 177.204 177.300 -0.194 0.000 1.230 245 P CA -0.443 62.370 63.100 -0.479 0.000 0.776 245 P CB 0.587 31.753 31.700 -0.889 0.000 0.888 246 S N 1.833 117.473 115.700 -0.100 0.000 2.592 246 S HA -0.069 4.401 4.470 -0.001 0.000 0.256 246 S C 1.423 176.009 174.600 -0.023 0.000 1.369 246 S CA -0.099 58.082 58.200 -0.033 0.000 0.984 246 S CB 0.345 63.549 63.200 0.006 0.000 0.919 246 S HN 0.633 nan 8.310 nan 0.000 0.576 247 Q N 0.127 119.919 119.800 -0.013 0.000 2.084 247 Q HA -0.188 4.151 4.340 -0.001 0.000 0.202 247 Q C 2.140 178.147 176.000 0.012 0.000 0.978 247 Q CA 1.735 57.533 55.803 -0.008 0.000 0.844 247 Q CB -0.258 28.473 28.738 -0.012 0.000 0.898 247 Q HN 0.926 nan 8.270 nan 0.000 0.426 248 E N -0.172 120.043 120.200 0.023 0.000 2.106 248 E HA -0.192 4.157 4.350 -0.001 0.000 0.192 248 E C 1.156 177.797 176.600 0.067 0.000 0.984 248 E CA 1.218 57.641 56.400 0.038 0.000 0.806 248 E CB 0.121 29.845 29.700 0.040 0.000 0.750 248 E HN 0.395 nan 8.360 nan 0.000 0.458 249 D N 0.432 120.885 120.400 0.089 0.000 2.219 249 D HA -0.120 4.519 4.640 -0.001 0.000 0.205 249 D C 1.769 178.169 176.300 0.166 0.000 0.970 249 D CA 0.407 54.505 54.000 0.163 0.000 0.851 249 D CB 0.040 40.967 40.800 0.212 0.000 0.943 249 D HN 0.193 nan 8.370 nan 0.000 0.488 250 L N 0.626 121.901 121.223 0.086 0.000 2.270 250 L HA 0.079 4.418 4.340 -0.001 0.000 0.210 250 L C 1.366 178.269 176.870 0.055 0.000 1.104 250 L CA 1.185 56.065 54.840 0.067 0.000 0.804 250 L CB -0.411 41.652 42.059 0.007 0.000 0.937 250 L HN -0.049 nan 8.230 nan 0.000 0.450 251 N N -2.186 116.541 118.700 0.045 0.000 2.409 251 N HA -0.143 4.596 4.740 -0.001 0.000 0.179 251 N C 1.666 177.198 175.510 0.036 0.000 1.032 251 N CA 0.959 54.026 53.050 0.028 0.000 0.898 251 N CB -0.055 38.442 38.487 0.017 0.000 0.971 251 N HN 0.360 nan 8.380 nan 0.000 0.441 252 C N 0.867 120.206 119.300 0.065 0.000 2.446 252 C HA 0.084 4.543 4.460 -0.001 0.000 0.279 252 C C 0.916 175.958 174.990 0.087 0.000 1.366 252 C CA -0.301 58.764 59.018 0.077 0.000 1.763 252 C CB -0.693 27.128 27.740 0.135 0.000 1.929 252 C HN 0.334 nan 8.230 nan 0.000 0.509 253 I N 2.200 122.821 120.570 0.086 0.000 2.329 253 I HA 0.056 4.225 4.170 -0.001 0.000 0.295 253 I C 1.032 177.166 176.117 0.029 0.000 1.109 253 I CA 0.166 61.507 61.300 0.068 0.000 1.297 253 I CB -0.235 37.811 38.000 0.078 0.000 1.433 253 I HN 0.186 nan 8.210 nan 0.000 0.509 254 I N 5.624 126.200 120.570 0.011 0.000 2.852 254 I HA 0.043 4.213 4.170 -0.001 0.000 0.264 254 I C 1.331 177.437 176.117 -0.019 0.000 1.179 254 I CA 0.520 61.810 61.300 -0.016 0.000 1.480 254 I CB -0.204 37.767 38.000 -0.049 0.000 1.111 254 I HN 0.515 nan 8.210 nan 0.000 0.441 255 N N 1.584 120.279 118.700 -0.008 0.000 2.468 255 N HA -0.056 4.683 4.740 -0.001 0.000 0.265 255 N C 1.083 176.578 175.510 -0.024 0.000 1.199 255 N CA 0.288 53.336 53.050 -0.004 0.000 0.928 255 N CB 0.844 39.347 38.487 0.027 0.000 1.059 255 N HN 0.365 nan 8.380 nan 0.000 0.467 256 L N 4.270 125.481 121.223 -0.021 0.000 2.027 256 L HA -0.115 4.225 4.340 -0.001 0.000 0.206 256 L C 2.210 179.041 176.870 -0.065 0.000 1.074 256 L CA 1.154 55.975 54.840 -0.033 0.000 0.745 256 L CB -0.120 41.929 42.059 -0.015 0.000 0.898 256 L HN 0.613 nan 8.230 nan 0.000 0.433 257 K N -0.448 119.920 120.400 -0.054 0.000 2.209 257 K HA -0.145 4.175 4.320 -0.001 0.000 0.204 257 K C 1.986 178.302 176.600 -0.474 0.000 1.048 257 K CA 1.188 57.413 56.287 -0.103 0.000 0.940 257 K CB -0.076 32.475 32.500 0.086 0.000 0.729 257 K HN 0.320 nan 8.250 nan 0.000 0.451 258 A N 1.351 123.922 122.820 -0.416 0.000 1.903 258 A HA -0.094 4.225 4.320 -0.001 0.000 0.213 258 A C 2.084 179.492 177.584 -0.293 0.000 1.185 258 A CA 0.825 52.510 52.037 -0.586 0.000 0.628 258 A CB -0.283 18.614 19.000 -0.170 0.000 0.830 258 A HN 0.156 nan 8.150 nan 0.000 0.446 259 R N 0.087 120.500 120.500 -0.144 0.000 2.092 259 R HA -0.082 4.257 4.340 -0.001 0.000 0.231 259 R C 1.753 178.005 176.300 -0.080 0.000 1.119 259 R CA 1.671 57.729 56.100 -0.071 0.000 0.970 259 R CB -0.410 29.866 30.300 -0.040 0.000 0.864 259 R HN 0.697 nan 8.270 nan 0.000 0.440 260 N N -0.672 117.973 118.700 -0.092 0.000 2.188 260 N HA -0.205 4.534 4.740 -0.001 0.000 0.184 260 N C 1.590 177.065 175.510 -0.059 0.000 1.018 260 N CA 0.997 54.009 53.050 -0.064 0.000 0.858 260 N CB -0.164 38.298 38.487 -0.042 0.000 0.989 260 N HN 0.212 nan 8.380 nan 0.000 0.426 261 Y N 2.049 122.224 120.300 -0.210 0.000 2.128 261 Y HA -0.154 4.396 4.550 -0.001 0.000 0.284 261 Y C 1.892 177.741 175.900 -0.085 0.000 1.154 261 Y CA 1.361 59.371 58.100 -0.150 0.000 1.149 261 Y CB -0.399 37.897 38.460 -0.274 0.000 0.976 261 Y HN -0.003 nan 8.280 nan 0.000 0.505 262 L N -0.467 120.647 121.223 -0.181 0.000 2.083 262 L HA -0.240 4.099 4.340 -0.001 0.000 0.209 262 L C 2.449 179.193 176.870 -0.210 0.000 1.083 262 L CA 1.208 55.920 54.840 -0.214 0.000 0.752 262 L CB -0.603 41.420 42.059 -0.059 0.000 0.899 262 L HN 0.307 nan 8.230 nan 0.000 0.433 263 L N -0.475 120.659 121.223 -0.147 0.000 2.141 263 L HA -0.140 4.199 4.340 -0.001 0.000 0.209 263 L C 2.708 179.503 176.870 -0.124 0.000 1.094 263 L CA 1.311 56.084 54.840 -0.112 0.000 0.763 263 L CB -0.470 41.544 42.059 -0.075 0.000 0.908 263 L HN 0.370 nan 8.230 nan 0.000 0.437 264 S N -0.808 114.798 115.700 -0.157 0.000 2.555 264 S HA 0.010 4.479 4.470 -0.001 0.000 0.230 264 S C 0.668 175.168 174.600 -0.166 0.000 0.978 264 S CA -0.051 58.070 58.200 -0.132 0.000 0.934 264 S CB -0.300 62.840 63.200 -0.100 0.000 0.766 264 S HN 0.063 nan 8.310 nan 0.000 0.533 265 L N 2.828 123.910 121.223 -0.234 0.000 2.326 265 L HA 0.521 4.861 4.340 -0.001 0.000 0.278 265 L C -2.178 174.621 176.870 -0.119 0.000 1.092 265 L CA -2.064 52.648 54.840 -0.213 0.000 0.810 265 L CB -0.023 41.863 42.059 -0.288 0.000 1.153 265 L HN 0.030 nan 8.230 nan 0.000 0.439 266 P HA 0.018 nan 4.420 nan 0.000 0.267 266 P C -0.852 176.432 177.300 -0.028 0.000 1.200 266 P CA -0.153 62.921 63.100 -0.042 0.000 0.772 266 P CB 0.225 31.899 31.700 -0.043 0.000 0.855 267 H N 2.496 121.516 119.070 -0.083 0.000 3.046 267 H HA 0.165 4.720 4.556 -0.001 0.000 0.303 267 H C -0.349 174.931 175.328 -0.081 0.000 1.002 267 H CA 0.718 56.716 56.048 -0.084 0.000 1.460 267 H CB 0.060 29.779 29.762 -0.071 0.000 1.493 267 H HN 0.161 nan 8.280 nan 0.000 0.559 268 K N 4.315 124.383 120.400 -0.553 0.000 2.324 268 K HA 0.305 4.624 4.320 -0.001 0.000 0.253 268 K C -0.535 175.717 176.600 -0.581 0.000 0.932 268 K CA -0.809 55.199 56.287 -0.465 0.000 0.799 268 K CB 1.717 34.064 32.500 -0.255 0.000 1.154 268 K HN 0.701 nan 8.250 nan 0.000 0.425 269 N N 1.490 119.938 118.700 -0.419 0.000 2.524 269 N HA 0.107 4.847 4.740 -0.001 0.000 0.283 269 N C -0.979 174.406 175.510 -0.209 0.000 1.142 269 N CA -0.780 52.097 53.050 -0.289 0.000 0.984 269 N CB 0.837 39.215 38.487 -0.181 0.000 1.155 269 N HN 0.392 nan 8.380 nan 0.000 0.467 270 K N -0.150 120.144 120.400 -0.177 0.000 2.350 270 K HA 0.257 4.577 4.320 -0.001 0.000 0.279 270 K C -0.845 175.620 176.600 -0.226 0.000 1.027 270 K CA -0.602 55.568 56.287 -0.196 0.000 0.969 270 K CB 0.668 33.059 32.500 -0.182 0.000 0.954 270 K HN 0.070 nan 8.250 nan 0.000 0.474 271 V N 4.865 124.612 119.914 -0.278 0.000 2.488 271 V HA 0.186 4.305 4.120 -0.001 0.000 0.277 271 V C -2.011 173.835 176.094 -0.413 0.000 1.046 271 V CA -1.890 60.238 62.300 -0.285 0.000 0.986 271 V CB 0.569 32.239 31.823 -0.254 0.000 0.989 271 V HN 0.833 nan 8.190 nan 0.000 0.475 272 P HA 0.032 nan 4.420 nan 0.000 0.265 272 P C 0.131 177.304 177.300 -0.212 0.000 1.193 272 P CA 0.184 63.134 63.100 -0.251 0.000 0.765 272 P CB 0.367 32.004 31.700 -0.106 0.000 0.823 273 W N 2.037 123.356 121.300 0.032 0.000 2.338 273 W HA -0.198 4.462 4.660 -0.001 0.000 0.304 273 W C 2.011 178.577 176.519 0.078 0.000 1.212 273 W CA 0.859 58.262 57.345 0.097 0.000 1.264 273 W CB -0.830 28.739 29.460 0.181 0.000 1.142 273 W HN 0.415 nan 8.180 nan 0.000 0.512 274 N N 0.506 119.366 118.700 0.267 0.000 2.512 274 N HA -0.077 4.663 4.740 -0.001 0.000 0.183 274 N C 1.450 176.997 175.510 0.061 0.000 1.073 274 N CA 0.714 53.865 53.050 0.168 0.000 0.911 274 N CB -0.507 38.056 38.487 0.126 0.000 0.964 274 N HN 0.180 nan 8.380 nan 0.000 0.447 275 R N 0.683 121.178 120.500 -0.007 0.000 2.093 275 R HA 0.216 4.555 4.340 -0.001 0.000 0.224 275 R C 2.230 178.443 176.300 -0.144 0.000 1.101 275 R CA 0.270 56.327 56.100 -0.071 0.000 0.979 275 R CB -0.531 29.709 30.300 -0.101 0.000 0.877 275 R HN 0.305 nan 8.270 nan 0.000 0.441 276 L N -0.688 120.376 121.223 -0.266 0.000 2.209 276 L HA 0.051 4.390 4.340 -0.001 0.000 0.207 276 L C 0.021 176.490 176.870 -0.670 0.000 1.094 276 L CA 0.690 55.180 54.840 -0.584 0.000 0.790 276 L CB 0.128 41.618 42.059 -0.948 0.000 0.932 276 L HN -0.033 nan 8.230 nan 0.000 0.447 277 F N -1.213 118.784 119.950 0.079 0.000 2.531 277 F HA 0.336 4.862 4.527 -0.001 0.000 0.333 277 F C -1.802 174.025 175.800 0.046 0.000 1.292 277 F CA -2.451 55.583 58.000 0.055 0.000 1.184 277 F CB 0.060 39.091 39.000 0.051 0.000 1.426 277 F HN -0.221 nan 8.300 nan 0.000 0.559 278 P HA -0.184 nan 4.420 nan 0.000 0.213 278 P C 0.783 178.144 177.300 0.101 0.000 1.170 278 P CA 1.675 64.832 63.100 0.094 0.000 0.902 278 P CB 0.109 31.842 31.700 0.056 0.000 0.789 279 N N -1.314 117.451 118.700 0.108 0.000 2.322 279 N HA 0.257 4.997 4.740 -0.001 0.000 0.216 279 N C 0.027 175.592 175.510 0.092 0.000 1.144 279 N CA -0.250 52.855 53.050 0.092 0.000 0.830 279 N CB -0.488 38.053 38.487 0.090 0.000 1.034 279 N HN 0.041 nan 8.380 nan 0.000 0.484 280 A N -0.093 122.788 122.820 0.101 0.000 2.304 280 A HA 0.288 4.608 4.320 -0.001 0.000 0.271 280 A C -0.113 177.478 177.584 0.012 0.000 1.091 280 A CA -0.575 51.486 52.037 0.041 0.000 0.812 280 A CB 0.291 19.312 19.000 0.037 0.000 1.056 280 A HN 0.353 nan 8.150 nan 0.000 0.489 281 D N 0.541 120.916 120.400 -0.041 0.000 2.389 281 D HA 0.174 4.813 4.640 -0.001 0.000 0.247 281 D C 1.574 177.828 176.300 -0.075 0.000 1.128 281 D CA 0.734 54.714 54.000 -0.033 0.000 0.884 281 D CB 1.080 41.874 40.800 -0.010 0.000 1.194 281 D HN 0.444 nan 8.370 nan 0.000 0.441 282 S N 4.149 119.841 115.700 -0.012 0.000 2.368 282 S HA -0.189 4.281 4.470 -0.001 0.000 0.225 282 S C 1.570 176.154 174.600 -0.026 0.000 1.030 282 S CA 0.742 58.943 58.200 0.001 0.000 0.999 282 S CB -0.207 63.015 63.200 0.036 0.000 0.844 282 S HN 0.544 nan 8.310 nan 0.000 0.459 283 K N 1.678 122.074 120.400 -0.008 0.000 2.147 283 K HA 0.085 4.405 4.320 -0.001 0.000 0.205 283 K C 2.521 179.001 176.600 -0.201 0.000 1.049 283 K CA 1.092 57.413 56.287 0.056 0.000 0.936 283 K CB -0.546 32.082 32.500 0.213 0.000 0.722 283 K HN 0.529 nan 8.250 nan 0.000 0.446 284 A N 1.710 124.160 122.820 -0.617 0.000 1.873 284 A HA -0.091 4.228 4.320 -0.001 0.000 0.215 284 A C 2.193 179.416 177.584 -0.602 0.000 1.186 284 A CA 1.007 52.401 52.037 -1.072 0.000 0.616 284 A CB -0.580 17.776 19.000 -1.074 0.000 0.823 284 A HN 0.130 nan 8.150 nan 0.000 0.442 285 L N -0.608 120.384 121.223 -0.385 0.000 2.083 285 L HA -0.212 4.127 4.340 -0.001 0.000 0.209 285 L C 2.365 179.051 176.870 -0.306 0.000 1.083 285 L CA 1.914 56.558 54.840 -0.325 0.000 0.752 285 L CB -0.669 41.354 42.059 -0.061 0.000 0.899 285 L HN 0.524 nan 8.230 nan 0.000 0.433 286 D N 0.134 120.448 120.400 -0.144 0.000 2.117 286 D HA -0.228 4.411 4.640 -0.001 0.000 0.197 286 D C 2.082 178.309 176.300 -0.122 0.000 0.987 286 D CA 0.826 54.812 54.000 -0.023 0.000 0.829 286 D CB 0.140 41.017 40.800 0.128 0.000 0.961 286 D HN 0.109 nan 8.370 nan 0.000 0.460 287 L N 0.161 121.163 121.223 -0.369 0.000 2.109 287 L HA 0.046 4.385 4.340 -0.001 0.000 0.207 287 L C 1.947 178.562 176.870 -0.425 0.000 1.086 287 L CA 1.190 55.668 54.840 -0.603 0.000 0.760 287 L CB -0.935 40.546 42.059 -0.963 0.000 0.910 287 L HN 0.228 nan 8.230 nan 0.000 0.437 288 L N -0.080 120.834 121.223 -0.514 0.000 2.042 288 L HA -0.245 4.094 4.340 -0.001 0.000 0.210 288 L C 2.102 178.611 176.870 -0.601 0.000 1.076 288 L CA 2.317 56.780 54.840 -0.629 0.000 0.749 288 L CB -1.001 40.522 42.059 -0.894 0.000 0.893 288 L HN 0.481 nan 8.230 nan 0.000 0.432 289 D N -1.048 119.046 120.400 -0.510 0.000 2.144 289 D HA -0.185 4.454 4.640 -0.001 0.000 0.199 289 D C 1.971 178.295 176.300 0.039 0.000 0.984 289 D CA 1.101 55.045 54.000 -0.092 0.000 0.834 289 D CB 0.110 41.016 40.800 0.177 0.000 0.955 289 D HN 0.216 nan 8.370 nan 0.000 0.465 290 K N -0.271 120.112 120.400 -0.029 0.000 2.097 290 K HA -0.041 4.278 4.320 -0.001 0.000 0.205 290 K C 2.202 178.818 176.600 0.027 0.000 1.050 290 K CA 0.724 57.031 56.287 0.032 0.000 0.938 290 K CB -0.314 32.197 32.500 0.018 0.000 0.718 290 K HN 0.370 nan 8.250 nan 0.000 0.442 291 M N 0.333 119.893 119.600 -0.067 0.000 2.193 291 M HA -0.024 4.455 4.480 -0.001 0.000 0.265 291 M C 1.140 177.417 176.300 -0.039 0.000 1.071 291 M CA 1.050 56.313 55.300 -0.060 0.000 1.140 291 M CB 0.021 32.525 32.600 -0.159 0.000 1.369 291 M HN -0.079 nan 8.290 nan 0.000 0.423 292 L N 1.058 122.206 121.223 -0.125 0.000 2.934 292 L HA 0.150 4.489 4.340 -0.001 0.000 0.233 292 L C -0.322 176.768 176.870 0.367 0.000 1.358 292 L CA -0.323 54.426 54.840 -0.152 0.000 1.233 292 L CB -0.880 41.056 42.059 -0.205 0.000 1.594 292 L HN 0.042 nan 8.230 nan 0.000 0.439 293 T N -0.473 114.338 114.554 0.429 0.000 2.771 293 T HA 0.079 4.429 4.350 -0.001 0.000 0.291 293 T C 0.777 175.770 174.700 0.489 0.000 0.954 293 T CA -0.331 62.025 62.100 0.427 0.000 1.045 293 T CB 1.396 70.430 68.868 0.276 0.000 0.917 293 T HN 0.220 nan 8.240 nan 0.000 0.484 294 F N 3.415 123.538 119.950 0.288 0.000 2.102 294 F HA -0.052 4.474 4.527 -0.001 0.000 0.298 294 F C 1.331 177.157 175.800 0.043 0.000 1.105 294 F CA 0.984 59.063 58.000 0.130 0.000 1.239 294 F CB 0.141 39.192 39.000 0.086 0.000 0.991 294 F HN 0.434 nan 8.300 nan 0.000 0.474 295 N N 1.860 120.686 118.700 0.211 0.000 2.405 295 N HA 0.073 4.813 4.740 -0.001 0.000 0.260 295 N C -1.794 173.725 175.510 0.015 0.000 1.152 295 N CA -2.245 50.864 53.050 0.099 0.000 0.948 295 N CB 0.918 39.538 38.487 0.221 0.000 1.111 295 N HN 0.052 nan 8.380 nan 0.000 0.485 296 P HA -0.146 nan 4.420 nan 0.000 0.218 296 P C 0.705 177.909 177.300 -0.160 0.000 1.149 296 P CA 1.391 64.374 63.100 -0.195 0.000 0.817 296 P CB 0.156 31.642 31.700 -0.356 0.000 0.785 297 H N 0.254 119.334 119.070 0.018 0.000 2.462 297 H HA 0.070 4.626 4.556 -0.001 0.000 0.292 297 H C 1.768 177.127 175.328 0.053 0.000 1.049 297 H CA 1.066 57.134 56.048 0.033 0.000 1.334 297 H CB -0.027 29.757 29.762 0.036 0.000 1.404 297 H HN 0.303 nan 8.280 nan 0.000 0.544 298 K N 0.809 121.312 120.400 0.171 0.000 2.314 298 K HA 0.037 4.357 4.320 -0.001 0.000 0.198 298 K C 1.138 177.813 176.600 0.125 0.000 1.045 298 K CA -0.255 56.118 56.287 0.144 0.000 0.988 298 K CB 0.597 33.188 32.500 0.152 0.000 0.783 298 K HN 0.002 nan 8.250 nan 0.000 0.484 299 R N 2.303 122.873 120.500 0.117 0.000 2.583 299 R HA 0.010 4.349 4.340 -0.001 0.000 0.274 299 R C -0.032 176.328 176.300 0.101 0.000 0.998 299 R CA 0.020 56.195 56.100 0.125 0.000 1.081 299 R CB 0.161 30.540 30.300 0.131 0.000 0.940 299 R HN 0.119 nan 8.270 nan 0.000 0.413 300 I N 3.714 124.342 120.570 0.095 0.000 2.752 300 I HA -0.050 4.119 4.170 -0.001 0.000 0.287 300 I C 0.288 176.450 176.117 0.076 0.000 1.188 300 I CA 0.306 61.653 61.300 0.079 0.000 1.427 300 I CB 0.479 38.517 38.000 0.063 0.000 1.365 300 I HN 0.691 nan 8.210 nan 0.000 0.585 301 E N 5.270 125.515 120.200 0.074 0.000 2.312 301 E HA 0.040 4.390 4.350 -0.001 0.000 0.259 301 E C 0.627 177.275 176.600 0.080 0.000 1.122 301 E CA -0.396 56.053 56.400 0.082 0.000 0.922 301 E CB 1.706 31.453 29.700 0.077 0.000 1.109 301 E HN 0.612 nan 8.360 nan 0.000 0.442 302 V N 1.455 121.432 119.914 0.104 0.000 2.358 302 V HA -0.242 3.877 4.120 -0.001 0.000 0.246 302 V C 1.651 177.777 176.094 0.053 0.000 1.047 302 V CA 2.079 64.421 62.300 0.070 0.000 1.035 302 V CB -0.303 31.562 31.823 0.070 0.000 0.658 302 V HN 0.615 nan 8.190 nan 0.000 0.452 303 E N -0.861 119.383 120.200 0.073 0.000 2.274 303 E HA -0.211 4.138 4.350 -0.001 0.000 0.194 303 E C 2.229 178.860 176.600 0.052 0.000 0.996 303 E CA 1.019 57.469 56.400 0.084 0.000 0.840 303 E CB -0.036 29.723 29.700 0.099 0.000 0.772 303 E HN 0.692 nan 8.360 nan 0.000 0.491 304 Q N 0.046 119.872 119.800 0.043 0.000 2.137 304 Q HA -0.032 4.308 4.340 -0.001 0.000 0.198 304 Q C 2.212 178.221 176.000 0.015 0.000 0.960 304 Q CA 0.910 56.728 55.803 0.024 0.000 0.847 304 Q CB 0.011 28.780 28.738 0.051 0.000 0.915 304 Q HN 0.226 nan 8.270 nan 0.000 0.448 305 A N 0.800 123.635 122.820 0.025 0.000 1.940 305 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 305 A C 1.983 179.579 177.584 0.021 0.000 1.176 305 A CA 1.170 53.220 52.037 0.022 0.000 0.631 305 A CB -0.605 18.396 19.000 0.002 0.000 0.814 305 A HN 0.301 nan 8.150 nan 0.000 0.446 306 L N -1.095 120.116 121.223 -0.021 0.000 2.109 306 L HA -0.088 4.252 4.340 -0.001 0.000 0.207 306 L C 2.805 179.389 176.870 -0.476 0.000 1.086 306 L CA 0.897 55.716 54.840 -0.034 0.000 0.760 306 L CB -0.370 41.776 42.059 0.145 0.000 0.910 306 L HN 0.396 nan 8.230 nan 0.000 0.437 307 A N -1.578 120.829 122.820 -0.689 0.000 2.235 307 A HA -0.115 4.204 4.320 -0.001 0.000 0.208 307 A C 0.762 178.142 177.584 -0.340 0.000 1.172 307 A CA 0.085 51.545 52.037 -0.961 0.000 0.786 307 A CB -0.974 17.719 19.000 -0.511 0.000 0.804 307 A HN 0.426 nan 8.150 nan 0.000 0.479 308 H N -0.007 118.936 119.070 -0.212 0.000 2.815 308 H HA 0.215 4.771 4.556 -0.001 0.000 0.350 308 H C -1.685 173.637 175.328 -0.011 0.000 1.080 308 H CA -0.997 55.014 56.048 -0.061 0.000 1.433 308 H CB 0.911 30.676 29.762 0.005 0.000 1.432 308 H HN -0.022 nan 8.280 nan 0.000 0.592 309 P HA -0.230 nan 4.420 nan 0.000 0.218 309 P C 0.756 178.158 177.300 0.169 0.000 1.146 309 P CA 1.190 64.246 63.100 -0.073 0.000 0.813 309 P CB -0.087 31.505 31.700 -0.180 0.000 0.778 310 Y N 0.217 120.700 120.300 0.304 0.000 2.242 310 Y HA -0.046 4.503 4.550 -0.001 0.000 0.291 310 Y C 1.492 177.495 175.900 0.172 0.000 1.137 310 Y CA 1.189 59.425 58.100 0.228 0.000 1.181 310 Y CB -0.786 37.802 38.460 0.213 0.000 0.989 310 Y HN -0.152 nan 8.280 nan 0.000 0.527 311 L N 0.604 121.886 121.223 0.098 0.000 2.783 311 L HA 0.122 4.461 4.340 -0.001 0.000 0.236 311 L C 1.844 178.779 176.870 0.109 0.000 1.225 311 L CA 0.240 55.127 54.840 0.078 0.000 1.026 311 L CB -0.331 41.863 42.059 0.225 0.000 1.314 311 L HN 0.207 nan 8.230 nan 0.000 0.489 312 E N 1.398 121.621 120.200 0.039 0.000 2.153 312 E HA -0.242 4.107 4.350 -0.001 0.000 0.194 312 E C 1.850 178.422 176.600 -0.047 0.000 0.988 312 E CA 1.145 57.567 56.400 0.037 0.000 0.811 312 E CB 0.222 29.928 29.700 0.010 0.000 0.746 312 E HN 0.672 nan 8.360 nan 0.000 0.466 313 Q N -1.270 118.399 119.800 -0.218 0.000 2.444 313 Q HA -0.105 4.235 4.340 -0.001 0.000 0.206 313 Q C 0.464 176.079 176.000 -0.642 0.000 0.948 313 Q CA 0.692 56.237 55.803 -0.431 0.000 0.946 313 Q CB 0.149 28.541 28.738 -0.577 0.000 1.027 313 Q HN 0.409 nan 8.270 nan 0.000 0.513 314 Y N -1.380 118.777 120.300 -0.237 0.000 2.512 314 Y HA 0.159 4.708 4.550 -0.001 0.000 0.268 314 Y C 0.296 176.031 175.900 -0.275 0.000 1.102 314 Y CA -1.121 56.682 58.100 -0.494 0.000 1.261 314 Y CB 0.172 37.914 38.460 -1.197 0.000 1.250 314 Y HN 0.091 nan 8.280 nan 0.000 0.506 315 Y N 3.161 123.464 120.300 0.005 0.000 2.721 315 Y HA 0.242 4.792 4.550 -0.001 0.000 0.329 315 Y C -0.502 175.471 175.900 0.122 0.000 1.211 315 Y CA -0.175 58.030 58.100 0.175 0.000 1.512 315 Y CB 0.171 38.719 38.460 0.146 0.000 1.249 315 Y HN 0.124 nan 8.280 nan 0.000 0.549 316 D N 8.072 128.299 120.400 -0.289 0.000 2.312 316 D HA 0.232 4.871 4.640 -0.001 0.000 0.229 316 D C -2.484 173.648 176.300 -0.280 0.000 1.337 316 D CA -1.594 52.200 54.000 -0.344 0.000 0.964 316 D CB 1.503 42.247 40.800 -0.094 0.000 1.456 316 D HN 0.224 nan 8.370 nan 0.000 0.547 317 P HA -0.129 nan 4.420 nan 0.000 0.219 317 P C 1.255 178.524 177.300 -0.051 0.000 1.146 317 P CA 1.107 64.110 63.100 -0.162 0.000 0.808 317 P CB 0.251 31.872 31.700 -0.132 0.000 0.779 318 S N -1.859 113.802 115.700 -0.064 0.000 2.489 318 S HA -0.074 4.395 4.470 -0.001 0.000 0.228 318 S C 1.533 176.134 174.600 0.002 0.000 0.995 318 S CA 0.961 59.148 58.200 -0.021 0.000 0.934 318 S CB -0.713 62.471 63.200 -0.028 0.000 0.771 318 S HN 0.030 nan 8.310 nan 0.000 0.522 319 D N 1.310 121.717 120.400 0.010 0.000 2.395 319 D HA 0.169 4.808 4.640 -0.001 0.000 0.213 319 D C -0.417 175.927 176.300 0.074 0.000 1.110 319 D CA -0.015 54.009 54.000 0.041 0.000 0.835 319 D CB 0.179 41.014 40.800 0.057 0.000 0.965 319 D HN 0.491 nan 8.370 nan 0.000 0.505 320 E N 1.765 122.013 120.200 0.080 0.000 2.683 320 E HA 0.237 4.586 4.350 -0.001 0.000 0.224 320 E C -2.313 174.368 176.600 0.135 0.000 1.046 320 E CA -1.779 54.690 56.400 0.116 0.000 0.811 320 E CB 1.379 31.150 29.700 0.118 0.000 1.296 320 E HN 0.246 nan 8.360 nan 0.000 0.421 321 P HA 0.091 nan 4.420 nan 0.000 0.272 321 P C -0.069 177.391 177.300 0.266 0.000 1.230 321 P CA -0.094 63.116 63.100 0.183 0.000 0.788 321 P CB 1.001 32.801 31.700 0.167 0.000 0.949 322 I N -2.178 118.492 120.570 0.167 0.000 3.237 322 I HA 0.776 4.946 4.170 -0.001 0.000 0.308 322 I C -0.182 175.860 176.117 -0.125 0.000 1.093 322 I CA -1.835 59.476 61.300 0.018 0.000 1.001 322 I CB 1.587 39.565 38.000 -0.037 0.000 1.245 322 I HN 0.235 nan 8.210 nan 0.000 0.485 323 A N 1.708 124.218 122.820 -0.517 0.000 2.425 323 A HA 0.207 4.526 4.320 -0.001 0.000 0.249 323 A C 1.021 178.517 177.584 -0.147 0.000 1.084 323 A CA -0.290 51.426 52.037 -0.534 0.000 0.781 323 A CB 0.159 18.785 19.000 -0.623 0.000 1.019 323 A HN 0.859 nan 8.150 nan 0.000 0.490 324 E N 0.616 120.794 120.200 -0.037 0.000 2.077 324 E HA 0.003 4.352 4.350 -0.001 0.000 0.193 324 E C 0.673 177.266 176.600 -0.013 0.000 0.989 324 E CA 1.589 57.991 56.400 0.004 0.000 0.800 324 E CB -0.124 29.599 29.700 0.038 0.000 0.746 324 E HN 0.805 nan 8.360 nan 0.000 0.452 325 A N 1.388 124.199 122.820 -0.015 0.000 2.540 325 A HA 0.487 4.806 4.320 -0.001 0.000 0.297 325 A C -2.645 174.951 177.584 0.020 0.000 1.056 325 A CA -1.221 50.809 52.037 -0.012 0.000 0.700 325 A CB 1.551 20.537 19.000 -0.023 0.000 1.280 325 A HN -0.138 nan 8.150 nan 0.000 0.398 326 P HA 0.512 nan 4.420 nan 0.000 0.279 326 P C -0.751 176.661 177.300 0.187 0.000 1.282 326 P CA -0.335 62.864 63.100 0.166 0.000 0.788 326 P CB 0.408 32.165 31.700 0.095 0.000 1.139 327 F N 0.199 120.173 119.950 0.040 0.000 2.411 327 F HA 0.175 4.702 4.527 -0.001 0.000 0.350 327 F C 1.986 177.789 175.800 0.004 0.000 1.114 327 F CA -0.748 57.272 58.000 0.034 0.000 1.135 327 F CB 0.896 39.924 39.000 0.048 0.000 1.120 327 F HN 0.125 nan 8.300 nan 0.000 0.495 328 K N 3.168 123.634 120.400 0.110 0.000 1.987 328 K HA -0.120 4.199 4.320 -0.001 0.000 0.216 328 K C 0.224 176.845 176.600 0.034 0.000 1.051 328 K CA 1.664 57.982 56.287 0.052 0.000 0.942 328 K CB -0.073 32.467 32.500 0.067 0.000 0.722 328 K HN 0.532 nan 8.250 nan 0.000 0.444 329 F N -0.686 119.311 119.950 0.078 0.000 2.754 329 F HA 0.139 4.665 4.527 -0.001 0.000 0.320 329 F C -0.738 175.085 175.800 0.038 0.000 1.156 329 F CA -1.389 56.638 58.000 0.046 0.000 0.950 329 F CB 1.560 40.572 39.000 0.019 0.000 1.388 329 F HN -0.135 nan 8.300 nan 0.000 0.485 330 D N 2.042 122.707 120.400 0.441 0.000 2.488 330 D HA 0.126 4.766 4.640 -0.001 0.000 0.238 330 D C -0.507 175.832 176.300 0.065 0.000 1.138 330 D CA 0.786 54.858 54.000 0.120 0.000 0.873 330 D CB 0.508 41.285 40.800 -0.038 0.000 1.183 330 D HN 0.209 nan 8.370 nan 0.000 0.458 331 M N 2.056 121.685 119.600 0.048 0.000 2.217 331 M HA 0.029 4.509 4.480 -0.001 0.000 0.352 331 M C 1.082 177.382 176.300 -0.001 0.000 1.376 331 M CA 0.108 55.437 55.300 0.047 0.000 1.107 331 M CB 0.809 33.442 32.600 0.056 0.000 1.723 331 M HN 0.321 nan 8.290 nan 0.000 0.461 332 E N 2.796 122.995 120.200 -0.001 0.000 2.511 332 E HA -0.035 4.314 4.350 -0.001 0.000 0.196 332 E C 0.863 177.454 176.600 -0.016 0.000 1.066 332 E CA 0.384 56.769 56.400 -0.025 0.000 0.871 332 E CB -0.258 29.427 29.700 -0.026 0.000 0.863 332 E HN 0.656 nan 8.360 nan 0.000 0.520 333 L N -1.570 119.651 121.223 -0.003 0.000 2.786 333 L HA 0.136 4.476 4.340 -0.001 0.000 0.250 333 L C 0.739 177.604 176.870 -0.008 0.000 1.151 333 L CA 0.766 55.607 54.840 0.001 0.000 0.910 333 L CB -0.363 41.703 42.059 0.012 0.000 1.082 333 L HN -0.151 nan 8.230 nan 0.000 0.433 334 D N 1.114 121.503 120.400 -0.019 0.000 2.149 334 D HA -0.128 4.511 4.640 -0.001 0.000 0.201 334 D C 1.109 177.398 176.300 -0.018 0.000 0.972 334 D CA 1.617 55.604 54.000 -0.021 0.000 0.835 334 D CB -0.001 40.782 40.800 -0.029 0.000 0.966 334 D HN 0.734 nan 8.370 nan 0.000 0.476 335 D N -0.080 120.309 120.400 -0.018 0.000 2.593 335 D HA 0.049 4.688 4.640 -0.001 0.000 0.241 335 D C -0.044 176.251 176.300 -0.010 0.000 1.257 335 D CA -0.509 53.482 54.000 -0.015 0.000 0.828 335 D CB -0.308 40.481 40.800 -0.018 0.000 1.049 335 D HN -0.037 nan 8.370 nan 0.000 0.490 336 L N 2.371 123.591 121.223 -0.004 0.000 2.305 336 L HA 0.409 4.748 4.340 -0.001 0.000 0.281 336 L C -2.159 174.717 176.870 0.009 0.000 1.085 336 L CA -1.905 52.937 54.840 0.003 0.000 0.813 336 L CB 1.016 43.080 42.059 0.009 0.000 1.157 336 L HN -0.107 nan 8.230 nan 0.000 0.436 337 P HA 0.080 nan 4.420 nan 0.000 0.273 337 P C -0.116 177.201 177.300 0.029 0.000 1.250 337 P CA -0.267 62.843 63.100 0.016 0.000 0.793 337 P CB 0.684 32.391 31.700 0.010 0.000 1.011 338 K N 0.361 120.782 120.400 0.036 0.000 2.103 338 K HA -0.190 4.129 4.320 -0.001 0.000 0.207 338 K C 1.806 178.441 176.600 0.059 0.000 1.048 338 K CA 1.793 58.114 56.287 0.056 0.000 0.930 338 K CB -0.180 32.352 32.500 0.054 0.000 0.716 338 K HN 0.411 nan 8.250 nan 0.000 0.444 339 E N 0.862 121.079 120.200 0.028 0.000 2.047 339 E HA -0.103 4.246 4.350 -0.001 0.000 0.191 339 E C 1.808 178.416 176.600 0.014 0.000 0.987 339 E CA 1.017 57.420 56.400 0.006 0.000 0.799 339 E CB 0.072 29.764 29.700 -0.012 0.000 0.752 339 E HN 0.039 nan 8.360 nan 0.000 0.449 340 K N 0.352 120.765 120.400 0.021 0.000 2.211 340 K HA -0.020 4.299 4.320 -0.001 0.000 0.203 340 K C 2.104 178.735 176.600 0.052 0.000 1.050 340 K CA 0.703 57.006 56.287 0.028 0.000 0.945 340 K CB -0.262 32.251 32.500 0.022 0.000 0.732 340 K HN 0.217 nan 8.250 nan 0.000 0.451 341 L N 0.615 121.879 121.223 0.069 0.000 2.072 341 L HA -0.117 4.222 4.340 -0.001 0.000 0.205 341 L C 2.634 179.598 176.870 0.157 0.000 1.079 341 L CA 1.144 56.042 54.840 0.097 0.000 0.752 341 L CB -0.406 41.709 42.059 0.092 0.000 0.906 341 L HN 0.159 nan 8.230 nan 0.000 0.436 342 K N 0.635 121.144 120.400 0.182 0.000 2.063 342 K HA -0.268 4.051 4.320 -0.001 0.000 0.208 342 K C 2.050 178.726 176.600 0.127 0.000 1.048 342 K CA 1.781 58.199 56.287 0.219 0.000 0.928 342 K CB -0.023 32.476 32.500 -0.002 0.000 0.713 342 K HN 0.254 nan 8.250 nan 0.000 0.442 343 E N 0.477 120.715 120.200 0.063 0.000 2.110 343 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 343 E C 1.998 178.697 176.600 0.165 0.000 0.988 343 E CA 1.109 57.552 56.400 0.072 0.000 0.804 343 E CB -0.004 29.710 29.700 0.024 0.000 0.745 343 E HN 0.360 nan 8.360 nan 0.000 0.458 344 L N 0.471 121.773 121.223 0.132 0.000 2.072 344 L HA -0.104 4.236 4.340 -0.001 0.000 0.205 344 L C 2.527 179.477 176.870 0.133 0.000 1.079 344 L CA 0.629 55.540 54.840 0.118 0.000 0.752 344 L CB -0.288 41.822 42.059 0.084 0.000 0.906 344 L HN 0.226 nan 8.230 nan 0.000 0.436 345 I N -0.717 119.955 120.570 0.170 0.000 2.335 345 I HA -0.332 3.837 4.170 -0.001 0.000 0.251 345 I C 2.487 178.715 176.117 0.186 0.000 1.129 345 I CA 1.457 62.862 61.300 0.175 0.000 1.402 345 I CB -0.270 37.890 38.000 0.268 0.000 1.069 345 I HN 0.178 nan 8.210 nan 0.000 0.424 346 F N 2.045 122.037 119.950 0.071 0.000 2.146 346 F HA -0.177 4.348 4.527 -0.003 0.000 0.298 346 F C 2.501 178.315 175.800 0.023 0.000 1.096 346 F CA 1.549 59.570 58.000 0.034 0.000 1.275 346 F CB -0.078 38.918 39.000 -0.006 0.000 1.008 346 F HN -0.028 nan 8.300 nan 0.000 0.480 347 E N 0.224 120.493 120.200 0.114 0.000 2.208 347 E HA -0.132 4.217 4.350 -0.001 0.000 0.193 347 E C 2.017 178.586 176.600 -0.052 0.000 0.988 347 E CA 0.761 57.170 56.400 0.014 0.000 0.828 347 E CB -0.374 29.385 29.700 0.098 0.000 0.763 347 E HN 0.532 nan 8.360 nan 0.000 0.478 348 E N 0.118 120.309 120.200 -0.017 0.000 2.216 348 E HA -0.051 4.299 4.350 -0.001 0.000 0.192 348 E C 1.738 178.324 176.600 -0.023 0.000 0.988 348 E CA 1.143 57.536 56.400 -0.011 0.000 0.834 348 E CB -0.003 29.709 29.700 0.020 0.000 0.772 348 E HN 0.330 nan 8.360 nan 0.000 0.479 349 T N -2.518 111.995 114.554 -0.069 0.000 3.086 349 T HA 0.394 4.743 4.350 -0.001 0.000 0.250 349 T C 1.788 176.426 174.700 -0.104 0.000 1.074 349 T CA 0.445 62.530 62.100 -0.025 0.000 0.988 349 T CB 0.450 69.279 68.868 -0.064 0.000 0.988 349 T HN 0.040 nan 8.240 nan 0.000 0.530 350 A N 3.448 126.091 122.820 -0.295 0.000 1.933 350 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 350 A C 2.506 179.634 177.584 -0.760 0.000 1.175 350 A CA 1.191 52.941 52.037 -0.479 0.000 0.628 350 A CB -0.571 18.162 19.000 -0.444 0.000 0.814 350 A HN 0.603 nan 8.150 nan 0.000 0.444 351 R N -1.290 118.700 120.500 -0.850 0.000 2.293 351 R HA -0.055 4.285 4.340 -0.001 0.000 0.219 351 R C 0.679 176.559 176.300 -0.700 0.000 1.091 351 R CA 1.355 56.777 56.100 -1.129 0.000 1.004 351 R CB -0.716 29.147 30.300 -0.728 0.000 0.865 351 R HN 0.491 nan 8.270 nan 0.000 0.469 352 F N 1.098 120.870 119.950 -0.296 0.000 2.721 352 F HA 0.245 4.771 4.527 -0.002 0.000 0.301 352 F C 0.791 176.538 175.800 -0.088 0.000 1.096 352 F CA -0.244 57.676 58.000 -0.132 0.000 1.308 352 F CB 0.242 39.184 39.000 -0.096 0.000 1.086 352 F HN -0.144 nan 8.300 nan 0.000 0.587 353 Q N 1.919 121.723 119.800 0.007 0.000 2.293 353 Q HA 0.149 4.489 4.340 -0.001 0.000 0.251 353 Q C -1.361 174.681 176.000 0.070 0.000 0.930 353 Q CA -1.965 53.858 55.803 0.032 0.000 0.893 353 Q CB 0.568 29.299 28.738 -0.011 0.000 1.215 353 Q HN 0.042 nan 8.270 nan 0.000 0.425 354 P HA -0.106 nan 4.420 nan 0.000 0.217 354 P C 0.554 177.902 177.300 0.079 0.000 1.150 354 P CA 1.013 64.153 63.100 0.067 0.000 0.832 354 P CB 0.176 31.904 31.700 0.047 0.000 0.787 355 G N -1.325 107.526 108.800 0.085 0.000 3.455 355 G HA2 0.190 4.149 3.960 -0.001 0.000 0.250 355 G HA3 0.190 4.149 3.960 -0.001 0.000 0.250 355 G C -0.531 174.452 174.900 0.138 0.000 1.071 355 G CA -0.004 45.146 45.100 0.084 0.000 1.812 355 G HN 0.270 nan 8.290 nan 0.000 0.643 356 Y N 0.000 120.287 120.300 -0.022 0.000 2.660 356 Y HA 0.000 4.548 4.550 -0.003 0.000 0.201 356 Y CA 0.000 58.079 58.100 -0.035 0.000 1.940 356 Y CB 0.000 38.428 38.460 -0.053 0.000 1.050 356 Y HN 0.000 nan 8.280 nan 0.000 0.758