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 2cm1_1_A DATA FIRST_RESID 5 DATA SEQUENCE TLVLRYAARS DRGLVRANNE DSVYAGARLL ALADGMGGHA AGEVASQLVI DATA SEQUENCE AALAHLDDDE PGGDLLAKLD AAVRAGNSAI AAQVEMEPDL EGMGTTLTAI DATA SEQUENCE LFAGNRLGLV HIGDSRGYLL RDGELTQITK DDTFVQTLVD EGRITPEEAH DATA SEQUENCE XXXXXXLIMR ALTGHEVEPT LTMREARAGD RYLLCSDGLS DPVSDETILE DATA SEQUENCE ALQIPEVAES AHRLIELALR GGGPDNVTVV VADVVD 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.710 174.700 0.016 0.000 1.109 5 T CA 0.000 62.110 62.100 0.017 0.000 1.349 5 T CB 0.000 68.880 68.868 0.021 0.000 0.612 6 L N 3.808 125.044 121.223 0.021 0.000 2.282 6 L HA 0.767 5.103 4.340 -0.006 0.000 0.288 6 L C -0.472 176.397 176.870 -0.002 0.000 1.033 6 L CA -0.617 54.233 54.840 0.016 0.000 0.807 6 L CB 1.644 43.725 42.059 0.036 0.000 1.209 6 L HN 0.467 nan 8.230 nan 0.000 0.423 7 V N 2.178 122.078 119.914 -0.023 0.000 3.040 7 V HA 0.572 4.688 4.120 -0.006 0.000 0.312 7 V C -0.742 175.303 176.094 -0.083 0.000 1.115 7 V CA -0.948 61.328 62.300 -0.040 0.000 0.998 7 V CB 2.147 33.962 31.823 -0.012 0.000 1.042 7 V HN 0.532 nan 8.190 nan 0.000 0.433 8 L N 2.881 124.048 121.223 -0.094 0.000 2.309 8 L HA 0.662 4.999 4.340 -0.006 0.000 0.282 8 L C -0.127 176.753 176.870 0.017 0.000 1.036 8 L CA -0.674 54.102 54.840 -0.106 0.000 0.806 8 L CB 1.617 43.575 42.059 -0.169 0.000 1.220 8 L HN 0.665 nan 8.230 nan 0.000 0.429 9 R N 3.827 124.316 120.500 -0.018 0.000 2.343 9 R HA 0.404 4.740 4.340 -0.006 0.000 0.320 9 R C -1.212 175.053 176.300 -0.059 0.000 0.956 9 R CA -0.513 55.529 56.100 -0.096 0.000 0.836 9 R CB 1.601 31.836 30.300 -0.107 0.000 1.151 9 R HN 0.440 nan 8.270 nan 0.000 0.450 10 Y N -0.941 119.344 120.300 -0.025 0.000 2.536 10 Y HA 0.869 5.417 4.550 -0.004 0.000 0.347 10 Y C -0.978 174.921 175.900 -0.001 0.000 1.000 10 Y CA -1.547 56.551 58.100 -0.004 0.000 1.051 10 Y CB 1.833 40.293 38.460 -0.000 0.000 1.259 10 Y HN 0.548 nan 8.280 nan 0.000 0.468 11 A N 1.596 124.500 122.820 0.139 0.000 2.402 11 A HA 0.857 5.173 4.320 -0.006 0.000 0.291 11 A C -1.294 176.375 177.584 0.142 0.000 1.051 11 A CA -0.347 51.747 52.037 0.095 0.000 0.716 11 A CB 0.626 19.640 19.000 0.024 0.000 1.223 11 A HN 1.457 nan 8.150 nan 0.000 0.425 12 A N 2.881 125.785 122.820 0.141 0.000 2.317 12 A HA 0.902 5.219 4.320 -0.006 0.000 0.327 12 A C -0.148 177.478 177.584 0.070 0.000 1.178 12 A CA -0.645 51.452 52.037 0.100 0.000 0.817 12 A CB 0.835 19.883 19.000 0.079 0.000 1.189 12 A HN 0.716 nan 8.150 nan 0.000 0.489 13 R N 0.729 121.266 120.500 0.060 0.000 2.651 13 R HA 0.688 5.025 4.340 -0.006 0.000 0.278 13 R C -1.319 175.004 176.300 0.038 0.000 1.010 13 R CA -0.448 55.680 56.100 0.046 0.000 0.896 13 R CB 1.996 32.323 30.300 0.045 0.000 1.211 13 R HN 0.710 nan 8.270 nan 0.000 0.456 14 S N 0.921 116.639 115.700 0.031 0.000 2.547 14 S HA 0.441 4.908 4.470 -0.006 0.000 0.281 14 S C -1.691 172.920 174.600 0.019 0.000 1.118 14 S CA -0.629 57.587 58.200 0.027 0.000 0.947 14 S CB 1.413 64.632 63.200 0.031 0.000 1.053 14 S HN 0.555 nan 8.310 nan 0.000 0.482 15 D N 1.683 122.091 120.400 0.013 0.000 2.732 15 D HA 0.329 4.966 4.640 -0.006 0.000 0.229 15 D C 0.587 176.893 176.300 0.009 0.000 1.152 15 D CA -0.547 53.458 54.000 0.007 0.000 0.854 15 D CB 1.932 42.729 40.800 -0.005 0.000 1.590 15 D HN 0.593 nan 8.370 nan 0.000 0.468 16 R N 1.558 122.063 120.500 0.009 0.000 2.148 16 R HA 0.093 4.430 4.340 -0.006 0.000 0.227 16 R C 1.132 177.436 176.300 0.007 0.000 1.103 16 R CA 1.463 57.569 56.100 0.009 0.000 0.983 16 R CB -0.270 30.035 30.300 0.009 0.000 0.874 16 R HN 0.679 nan 8.270 nan 0.000 0.451 17 G N -0.667 108.134 108.800 0.002 0.000 2.660 17 G HA2 -0.254 3.702 3.960 -0.006 0.000 0.215 17 G HA3 -0.254 3.702 3.960 -0.006 0.000 0.215 17 G C 0.019 174.918 174.900 -0.001 0.000 1.345 17 G CA -0.236 44.863 45.100 -0.001 0.000 0.877 17 G HN 0.167 nan 8.290 nan 0.000 0.549 18 L N -0.010 121.212 121.223 -0.002 0.000 2.693 18 L HA 0.280 4.616 4.340 -0.006 0.000 0.235 18 L C 1.887 178.756 176.870 -0.001 0.000 1.127 18 L CA 0.202 55.041 54.840 -0.002 0.000 0.914 18 L CB 0.484 42.540 42.059 -0.005 0.000 1.193 18 L HN 0.375 nan 8.230 nan 0.000 0.502 19 V N -2.013 117.901 119.914 0.000 0.000 3.058 19 V HA 0.194 4.310 4.120 -0.006 0.000 0.233 19 V C 1.071 177.167 176.094 0.003 0.000 1.255 19 V CA -0.129 62.172 62.300 0.001 0.000 1.267 19 V CB 0.229 32.052 31.823 0.000 0.000 1.049 19 V HN 0.190 nan 8.190 nan 0.000 0.486 20 R N 0.975 121.478 120.500 0.005 0.000 2.590 20 R HA 0.372 4.708 4.340 -0.006 0.000 0.274 20 R C 1.299 177.603 176.300 0.007 0.000 1.061 20 R CA 0.581 56.685 56.100 0.007 0.000 1.081 20 R CB 0.386 30.691 30.300 0.009 0.000 0.984 20 R HN 0.374 nan 8.270 nan 0.000 0.448 21 A N 3.643 126.467 122.820 0.007 0.000 1.877 21 A HA -0.105 4.211 4.320 -0.006 0.000 0.216 21 A C 0.601 178.190 177.584 0.008 0.000 1.186 21 A CA 1.185 53.226 52.037 0.007 0.000 0.620 21 A CB -0.039 18.965 19.000 0.007 0.000 0.822 21 A HN 0.698 nan 8.150 nan 0.000 0.443 22 N N -1.071 117.635 118.700 0.010 0.000 2.453 22 N HA 0.211 4.947 4.740 -0.006 0.000 0.290 22 N C -1.509 174.009 175.510 0.013 0.000 1.250 22 N CA -0.648 52.409 53.050 0.011 0.000 0.815 22 N CB 0.764 39.258 38.487 0.012 0.000 1.381 22 N HN 0.185 nan 8.380 nan 0.000 0.510 23 N N 1.022 119.731 118.700 0.015 0.000 2.485 23 N HA 0.125 4.862 4.740 -0.006 0.000 0.243 23 N C -0.441 175.081 175.510 0.020 0.000 0.987 23 N CA 0.082 53.142 53.050 0.018 0.000 0.940 23 N CB 0.531 39.030 38.487 0.019 0.000 1.122 23 N HN 0.476 nan 8.380 nan 0.000 0.509 24 E N 0.909 121.121 120.200 0.020 0.000 2.463 24 E HA 0.077 4.423 4.350 -0.006 0.000 0.193 24 E C -0.749 175.866 176.600 0.025 0.000 1.041 24 E CA -0.179 56.234 56.400 0.021 0.000 0.879 24 E CB 0.450 30.161 29.700 0.019 0.000 0.997 24 E HN 0.541 nan 8.360 nan 0.000 0.478 25 D N 0.607 121.024 120.400 0.029 0.000 2.302 25 D HA 0.219 4.855 4.640 -0.006 0.000 0.248 25 D C -0.464 175.859 176.300 0.038 0.000 1.094 25 D CA 0.244 54.265 54.000 0.035 0.000 0.897 25 D CB 1.556 42.379 40.800 0.038 0.000 1.200 25 D HN -0.191 nan 8.370 nan 0.000 0.429 26 S N 0.181 115.907 115.700 0.044 0.000 2.568 26 S HA 0.723 5.190 4.470 -0.006 0.000 0.293 26 S C -0.961 173.679 174.600 0.066 0.000 1.089 26 S CA -0.783 57.448 58.200 0.052 0.000 0.945 26 S CB 2.351 65.582 63.200 0.051 0.000 1.077 26 S HN 0.251 nan 8.310 nan 0.000 0.485 27 V N 2.401 122.362 119.914 0.079 0.000 3.087 27 V HA 0.764 4.881 4.120 -0.006 0.000 0.306 27 V C -2.296 173.881 176.094 0.139 0.000 1.187 27 V CA -0.530 61.828 62.300 0.096 0.000 0.999 27 V CB 2.234 34.101 31.823 0.073 0.000 1.049 27 V HN 0.935 nan 8.190 nan 0.000 0.431 28 Y N 3.894 124.197 120.300 0.005 0.000 2.492 28 Y HA 0.848 5.395 4.550 -0.005 0.000 0.346 28 Y C -0.493 175.380 175.900 -0.044 0.000 0.997 28 Y CA 0.055 58.144 58.100 -0.019 0.000 1.025 28 Y CB 2.209 40.650 38.460 -0.032 0.000 1.263 28 Y HN 1.028 nan 8.280 nan 0.000 0.454 29 A N 3.343 125.933 122.820 -0.383 0.000 2.437 29 A HA 0.824 5.141 4.320 -0.006 0.000 0.293 29 A C -1.027 176.048 177.584 -0.850 0.000 1.038 29 A CA 0.072 51.902 52.037 -0.345 0.000 0.708 29 A CB 1.115 20.033 19.000 -0.137 0.000 1.251 29 A HN 1.262 nan 8.150 nan 0.000 0.409 30 G N -0.589 107.755 108.800 -0.761 0.000 2.870 30 G HA2 0.671 4.627 3.960 -0.006 0.000 0.299 30 G HA3 0.671 4.627 3.960 -0.006 0.000 0.299 30 G C 0.758 175.288 174.900 -0.617 0.000 1.324 30 G CA 0.227 44.840 45.100 -0.811 0.000 0.808 30 G HN 1.572 nan 8.290 nan 0.000 0.535 31 A N -0.870 121.844 122.820 -0.176 0.000 2.019 31 A HA 0.108 4.424 4.320 -0.006 0.000 0.219 31 A C 2.441 180.031 177.584 0.012 0.000 1.164 31 A CA 2.238 54.288 52.037 0.021 0.000 0.644 31 A CB -0.152 18.899 19.000 0.086 0.000 0.805 31 A HN 0.455 nan 8.150 nan 0.000 0.449 32 R N -2.675 117.846 120.500 0.035 0.000 2.257 32 R HA 0.399 4.736 4.340 -0.006 0.000 0.195 32 R C 0.027 176.425 176.300 0.163 0.000 0.921 32 R CA 0.401 56.565 56.100 0.106 0.000 1.069 32 R CB -0.555 29.787 30.300 0.070 0.000 1.115 32 R HN 0.460 nan 8.270 nan 0.000 0.571 33 L N 1.088 122.367 121.223 0.093 0.000 2.341 33 L HA 0.661 4.998 4.340 -0.006 0.000 0.278 33 L C -1.117 175.834 176.870 0.134 0.000 1.005 33 L CA -0.564 54.314 54.840 0.064 0.000 0.818 33 L CB 1.673 43.671 42.059 -0.102 0.000 1.259 33 L HN 0.049 nan 8.230 nan 0.000 0.418 34 L N 5.157 126.454 121.223 0.123 0.000 2.386 34 L HA 0.987 5.323 4.340 -0.006 0.000 0.271 34 L C -0.649 176.282 176.870 0.101 0.000 0.993 34 L CA -0.727 54.196 54.840 0.138 0.000 0.819 34 L CB 1.877 44.038 42.059 0.169 0.000 1.294 34 L HN 0.803 nan 8.230 nan 0.000 0.414 35 A N 3.665 126.558 122.820 0.123 0.000 2.577 35 A HA 0.818 5.134 4.320 -0.006 0.000 0.297 35 A C -1.907 175.735 177.584 0.096 0.000 1.060 35 A CA -0.398 51.687 52.037 0.080 0.000 0.697 35 A CB 2.015 21.034 19.000 0.031 0.000 1.281 35 A HN 0.692 nan 8.150 nan 0.000 0.402 36 L N 1.388 122.657 121.223 0.077 0.000 2.482 36 L HA 0.900 5.237 4.340 -0.006 0.000 0.263 36 L C -0.875 176.032 176.870 0.061 0.000 0.957 36 L CA -0.440 54.447 54.840 0.078 0.000 0.836 36 L CB 2.045 44.159 42.059 0.092 0.000 1.324 36 L HN 1.502 nan 8.230 nan 0.000 0.406 37 A N 2.689 125.541 122.820 0.053 0.000 2.414 37 A HA 0.506 4.823 4.320 -0.006 0.000 0.286 37 A C -1.782 175.824 177.584 0.036 0.000 1.073 37 A CA -0.466 51.593 52.037 0.036 0.000 0.727 37 A CB 1.265 20.281 19.000 0.027 0.000 1.215 37 A HN 0.637 nan 8.150 nan 0.000 0.430 38 D N 2.784 123.203 120.400 0.032 0.000 2.412 38 D HA 0.506 5.143 4.640 -0.006 0.000 0.224 38 D C 0.547 176.861 176.300 0.023 0.000 1.093 38 D CA 0.358 54.377 54.000 0.032 0.000 0.850 38 D CB 1.146 41.969 40.800 0.040 0.000 1.046 38 D HN 0.639 nan 8.370 nan 0.000 0.507 39 G N 3.042 111.855 108.800 0.022 0.000 2.476 39 G HA2 0.637 4.593 3.960 -0.006 0.000 0.286 39 G HA3 0.637 4.593 3.960 -0.006 0.000 0.286 39 G C -0.015 174.894 174.900 0.016 0.000 1.177 39 G CA -0.623 44.487 45.100 0.017 0.000 0.870 39 G HN 0.603 nan 8.290 nan 0.000 0.528 40 M N -0.058 119.550 119.600 0.013 0.000 2.569 40 M HA 0.813 5.290 4.480 -0.006 0.000 0.279 40 M C -0.435 175.871 176.300 0.009 0.000 1.253 40 M CA -0.699 54.608 55.300 0.012 0.000 0.867 40 M CB 2.187 34.794 32.600 0.012 0.000 1.727 40 M HN 1.659 nan 8.290 nan 0.000 0.467 41 G N 0.141 108.946 108.800 0.008 0.000 2.337 41 G HA2 0.426 4.382 3.960 -0.006 0.000 0.310 41 G HA3 0.426 4.382 3.960 -0.006 0.000 0.310 41 G C -0.945 173.959 174.900 0.006 0.000 1.534 41 G CA -0.399 44.704 45.100 0.006 0.000 0.982 41 G HN 1.165 nan 8.290 nan 0.000 0.672 42 G N -1.210 107.593 108.800 0.005 0.000 2.354 42 G HA2 0.696 4.652 3.960 -0.006 0.000 0.266 42 G HA3 0.696 4.652 3.960 -0.006 0.000 0.266 42 G C 0.767 175.670 174.900 0.005 0.000 1.242 42 G CA 2.080 47.183 45.100 0.005 0.000 0.923 42 G HN 2.712 nan 8.290 nan 0.000 0.476 43 H N -0.100 118.973 119.070 0.006 0.000 3.025 43 H HA 0.219 4.771 4.556 -0.006 0.000 0.255 43 H C 1.775 177.107 175.328 0.007 0.000 1.246 43 H CA 0.906 56.958 56.048 0.006 0.000 1.107 43 H CB -1.799 27.966 29.762 0.005 0.000 1.259 43 H HN 2.839 nan 8.280 nan 0.000 0.351 44 A N -1.678 121.147 122.820 0.008 0.000 2.783 44 A HA 0.190 4.507 4.320 -0.006 0.000 0.292 44 A C 2.458 180.048 177.584 0.010 0.000 1.495 44 A CA 1.959 54.002 52.037 0.010 0.000 0.787 44 A CB -2.404 16.602 19.000 0.010 0.000 1.017 44 A HN 2.712 nan 8.150 nan 0.000 0.516 45 A N -0.872 121.953 122.820 0.009 0.000 2.239 45 A HA 0.366 4.682 4.320 -0.006 0.000 0.209 45 A C 2.105 179.695 177.584 0.010 0.000 1.171 45 A CA 1.892 53.934 52.037 0.009 0.000 0.768 45 A CB -0.609 18.395 19.000 0.007 0.000 0.790 45 A HN 1.812 nan 8.150 nan 0.000 0.478 46 G N -0.939 107.867 108.800 0.011 0.000 2.595 46 G HA2 -0.047 3.910 3.960 -0.006 0.000 0.213 46 G HA3 -0.047 3.910 3.960 -0.006 0.000 0.213 46 G C 1.295 176.204 174.900 0.015 0.000 1.141 46 G CA 0.676 45.783 45.100 0.012 0.000 0.806 46 G HN 0.598 nan 8.290 nan 0.000 0.530 47 E N 0.228 120.437 120.200 0.015 0.000 2.150 47 E HA -0.064 4.282 4.350 -0.006 0.000 0.193 47 E C 2.497 179.108 176.600 0.018 0.000 0.985 47 E CA 0.528 56.939 56.400 0.018 0.000 0.814 47 E CB 0.063 29.774 29.700 0.018 0.000 0.752 47 E HN 0.237 nan 8.360 nan 0.000 0.466 48 V N 1.248 121.171 119.914 0.015 0.000 2.261 48 V HA -0.299 3.817 4.120 -0.006 0.000 0.246 48 V C 2.457 178.560 176.094 0.014 0.000 1.047 48 V CA 1.948 64.256 62.300 0.014 0.000 1.015 48 V CB -0.846 30.983 31.823 0.011 0.000 0.642 48 V HN 0.419 nan 8.190 nan 0.000 0.446 49 A N 0.776 123.603 122.820 0.012 0.000 1.883 49 A HA -0.255 4.062 4.320 -0.006 0.000 0.217 49 A C 2.566 180.157 177.584 0.012 0.000 1.186 49 A CA 2.766 54.809 52.037 0.011 0.000 0.624 49 A CB -0.940 18.066 19.000 0.009 0.000 0.822 49 A HN 0.708 nan 8.150 nan 0.000 0.444 50 S N -0.475 115.235 115.700 0.016 0.000 2.383 50 S HA -0.241 4.226 4.470 -0.006 0.000 0.227 50 S C 1.966 176.581 174.600 0.025 0.000 1.026 50 S CA 1.410 59.623 58.200 0.020 0.000 0.981 50 S CB -0.600 62.615 63.200 0.025 0.000 0.818 50 S HN 0.689 nan 8.310 nan 0.000 0.472 51 Q N 0.944 120.760 119.800 0.026 0.000 2.079 51 Q HA 0.067 4.404 4.340 -0.006 0.000 0.200 51 Q C 2.343 178.358 176.000 0.026 0.000 0.974 51 Q CA 1.429 57.250 55.803 0.031 0.000 0.840 51 Q CB -0.506 28.249 28.738 0.029 0.000 0.898 51 Q HN 0.534 nan 8.270 nan 0.000 0.430 52 L N -0.048 121.186 121.223 0.018 0.000 2.012 52 L HA -0.210 4.127 4.340 -0.006 0.000 0.210 52 L C 2.368 179.245 176.870 0.011 0.000 1.073 52 L CA 0.918 55.766 54.840 0.013 0.000 0.748 52 L CB -0.483 41.581 42.059 0.009 0.000 0.891 52 L HN 0.106 nan 8.230 nan 0.000 0.431 53 V N -0.286 119.633 119.914 0.008 0.000 2.358 53 V HA -0.266 3.851 4.120 -0.006 0.000 0.246 53 V C 2.390 178.482 176.094 -0.002 0.000 1.047 53 V CA 1.309 63.610 62.300 0.001 0.000 1.035 53 V CB -0.312 31.510 31.823 -0.002 0.000 0.658 53 V HN 0.278 nan 8.190 nan 0.000 0.452 54 I N 0.730 121.306 120.570 0.009 0.000 2.286 54 I HA -0.205 3.962 4.170 -0.006 0.000 0.248 54 I C 2.691 178.800 176.117 -0.013 0.000 1.115 54 I CA 1.903 63.206 61.300 0.006 0.000 1.392 54 I CB -1.601 36.433 38.000 0.057 0.000 1.065 54 I HN 0.311 nan 8.210 nan 0.000 0.418 55 A N 0.703 123.532 122.820 0.014 0.000 1.972 55 A HA -0.095 4.222 4.320 -0.006 0.000 0.219 55 A C 2.450 180.047 177.584 0.022 0.000 1.169 55 A CA 1.832 53.881 52.037 0.020 0.000 0.635 55 A CB -0.587 18.429 19.000 0.027 0.000 0.810 55 A HN 0.419 nan 8.150 nan 0.000 0.446 56 A N -1.498 121.334 122.820 0.021 0.000 2.123 56 A HA 0.301 4.617 4.320 -0.006 0.000 0.214 56 A C 1.867 179.502 177.584 0.086 0.000 1.152 56 A CA 0.969 53.041 52.037 0.059 0.000 0.728 56 A CB -0.262 18.758 19.000 0.034 0.000 0.814 56 A HN 0.382 nan 8.150 nan 0.000 0.464 57 L N -1.096 120.098 121.223 -0.049 0.000 2.307 57 L HA 0.138 4.474 4.340 -0.006 0.000 0.211 57 L C 2.791 179.436 176.870 -0.374 0.000 1.099 57 L CA 1.164 55.884 54.840 -0.200 0.000 0.816 57 L CB -0.426 41.518 42.059 -0.191 0.000 0.952 57 L HN 0.332 nan 8.230 nan 0.000 0.455 58 A N 0.334 122.960 122.820 -0.325 0.000 1.958 58 A HA -0.332 3.985 4.320 -0.006 0.000 0.221 58 A C 2.075 179.453 177.584 -0.343 0.000 1.178 58 A CA 2.358 54.099 52.037 -0.494 0.000 0.642 58 A CB -1.194 17.675 19.000 -0.219 0.000 0.816 58 A HN 0.767 nan 8.150 nan 0.000 0.453 59 H N -1.440 117.526 119.070 -0.174 0.000 2.521 59 H HA 0.177 4.729 4.556 -0.006 0.000 0.286 59 H C 1.450 176.718 175.328 -0.099 0.000 1.034 59 H CA 1.118 57.104 56.048 -0.102 0.000 1.278 59 H CB -0.503 29.219 29.762 -0.066 0.000 1.386 59 H HN 0.399 nan 8.280 nan 0.000 0.567 60 L N 0.210 121.021 121.223 -0.688 0.000 2.362 60 L HA -0.082 4.254 4.340 -0.006 0.000 0.219 60 L C 1.812 178.549 176.870 -0.221 0.000 1.134 60 L CA 1.162 55.736 54.840 -0.444 0.000 0.807 60 L CB -0.232 41.558 42.059 -0.449 0.000 0.927 60 L HN 0.346 nan 8.230 nan 0.000 0.447 61 D N 0.536 120.807 120.400 -0.216 0.000 2.162 61 D HA -0.174 4.463 4.640 -0.006 0.000 0.203 61 D C 1.433 177.728 176.300 -0.008 0.000 0.967 61 D CA 1.382 55.335 54.000 -0.078 0.000 0.840 61 D CB 0.214 41.011 40.800 -0.005 0.000 0.972 61 D HN 0.518 nan 8.370 nan 0.000 0.482 62 D N -1.455 118.943 120.400 -0.004 0.000 2.417 62 D HA 0.049 4.685 4.640 -0.006 0.000 0.207 62 D C -0.047 176.270 176.300 0.028 0.000 1.075 62 D CA -0.354 53.664 54.000 0.030 0.000 0.851 62 D CB -0.217 40.613 40.800 0.051 0.000 0.976 62 D HN -0.059 nan 8.370 nan 0.000 0.505 63 D N 1.412 121.825 120.400 0.021 0.000 2.400 63 D HA 0.284 4.921 4.640 -0.006 0.000 0.238 63 D C 0.586 176.899 176.300 0.022 0.000 1.157 63 D CA 0.397 54.417 54.000 0.034 0.000 0.889 63 D CB 0.319 41.152 40.800 0.055 0.000 1.199 63 D HN 0.396 nan 8.370 nan 0.000 0.436 64 E N 2.012 122.226 120.200 0.024 0.000 2.480 64 E HA 0.210 4.556 4.350 -0.006 0.000 0.258 64 E C -2.210 174.400 176.600 0.016 0.000 0.984 64 E CA -1.047 55.365 56.400 0.020 0.000 0.930 64 E CB -0.756 28.955 29.700 0.018 0.000 0.936 64 E HN 0.201 nan 8.360 nan 0.000 0.466 65 P HA 0.578 nan 4.420 nan 0.000 0.286 65 P C 0.531 177.840 177.300 0.015 0.000 1.261 65 P CA 0.146 63.255 63.100 0.016 0.000 0.821 65 P CB 1.980 33.694 31.700 0.024 0.000 1.013 66 G N -0.008 108.799 108.800 0.012 0.000 2.449 66 G HA2 0.583 4.540 3.960 -0.006 0.000 0.192 66 G HA3 0.583 4.540 3.960 -0.006 0.000 0.192 66 G C 0.339 175.239 174.900 0.001 0.000 1.776 66 G CA 0.417 45.520 45.100 0.005 0.000 0.699 66 G HN 0.857 nan 8.290 nan 0.000 0.745 67 G N 0.078 108.878 108.800 -0.001 0.000 2.545 67 G HA2 -0.069 3.888 3.960 -0.006 0.000 0.211 67 G HA3 -0.069 3.888 3.960 -0.006 0.000 0.211 67 G C -1.208 173.686 174.900 -0.010 0.000 1.167 67 G CA 0.371 45.469 45.100 -0.003 0.000 1.151 67 G HN 0.752 nan 8.290 nan 0.000 0.581 68 D N 2.090 122.483 120.400 -0.012 0.000 2.494 68 D HA 0.475 5.112 4.640 -0.006 0.000 0.217 68 D C 2.050 178.334 176.300 -0.027 0.000 1.153 68 D CA -0.205 53.785 54.000 -0.017 0.000 0.954 68 D CB -0.063 40.730 40.800 -0.013 0.000 1.034 68 D HN 0.407 nan 8.370 nan 0.000 0.518 69 L N 2.479 123.680 121.223 -0.037 0.000 2.012 69 L HA -0.218 4.118 4.340 -0.006 0.000 0.210 69 L C 2.371 179.206 176.870 -0.060 0.000 1.073 69 L CA 0.946 55.752 54.840 -0.057 0.000 0.748 69 L CB -0.410 41.602 42.059 -0.078 0.000 0.891 69 L HN 0.425 nan 8.230 nan 0.000 0.431 70 L N -0.304 120.888 121.223 -0.052 0.000 2.083 70 L HA -0.193 4.143 4.340 -0.006 0.000 0.209 70 L C 2.889 179.737 176.870 -0.036 0.000 1.083 70 L CA 1.187 55.999 54.840 -0.047 0.000 0.752 70 L CB -0.846 41.190 42.059 -0.039 0.000 0.899 70 L HN 0.281 nan 8.230 nan 0.000 0.433 71 A N 0.237 123.041 122.820 -0.028 0.000 1.897 71 A HA -0.178 4.139 4.320 -0.006 0.000 0.215 71 A C 2.336 179.911 177.584 -0.016 0.000 1.181 71 A CA 1.391 53.416 52.037 -0.019 0.000 0.620 71 A CB -0.255 18.737 19.000 -0.014 0.000 0.821 71 A HN 0.261 nan 8.150 nan 0.000 0.443 72 K N -0.289 120.099 120.400 -0.019 0.000 2.026 72 K HA -0.042 4.274 4.320 -0.006 0.000 0.208 72 K C 1.872 178.455 176.600 -0.029 0.000 1.048 72 K CA 1.446 57.725 56.287 -0.014 0.000 0.929 72 K CB -0.377 32.104 32.500 -0.032 0.000 0.713 72 K HN 0.434 nan 8.250 nan 0.000 0.439 73 L N 0.683 121.874 121.223 -0.053 0.000 2.017 73 L HA -0.246 4.091 4.340 -0.006 0.000 0.208 73 L C 2.258 179.104 176.870 -0.040 0.000 1.073 73 L CA 1.520 56.321 54.840 -0.063 0.000 0.745 73 L CB -0.424 41.590 42.059 -0.074 0.000 0.894 73 L HN 0.271 nan 8.230 nan 0.000 0.432 74 D N -0.195 120.187 120.400 -0.031 0.000 2.104 74 D HA -0.213 4.423 4.640 -0.006 0.000 0.194 74 D C 2.113 178.404 176.300 -0.014 0.000 0.994 74 D CA 1.497 55.483 54.000 -0.023 0.000 0.830 74 D CB 0.111 40.898 40.800 -0.021 0.000 0.959 74 D HN 0.280 nan 8.370 nan 0.000 0.452 75 A N 0.315 123.132 122.820 -0.004 0.000 1.933 75 A HA 0.056 4.372 4.320 -0.006 0.000 0.218 75 A C 2.364 179.964 177.584 0.025 0.000 1.175 75 A CA 2.122 54.164 52.037 0.008 0.000 0.628 75 A CB -1.043 17.968 19.000 0.018 0.000 0.814 75 A HN 0.339 nan 8.150 nan 0.000 0.444 76 A N -0.561 122.283 122.820 0.039 0.000 1.902 76 A HA -0.005 4.311 4.320 -0.006 0.000 0.217 76 A C 2.231 179.828 177.584 0.022 0.000 1.181 76 A CA 1.808 53.887 52.037 0.070 0.000 0.623 76 A CB -0.923 18.083 19.000 0.010 0.000 0.818 76 A HN 0.383 nan 8.150 nan 0.000 0.443 77 V N -0.164 119.745 119.914 -0.007 0.000 2.358 77 V HA -0.236 3.880 4.120 -0.006 0.000 0.246 77 V C 2.634 178.720 176.094 -0.014 0.000 1.047 77 V CA 2.264 64.554 62.300 -0.017 0.000 1.035 77 V CB -0.785 31.021 31.823 -0.027 0.000 0.658 77 V HN 0.648 nan 8.190 nan 0.000 0.452 78 R N 0.061 120.553 120.500 -0.014 0.000 2.096 78 R HA -0.163 4.174 4.340 -0.006 0.000 0.235 78 R C 2.288 178.579 176.300 -0.016 0.000 1.127 78 R CA 1.627 57.715 56.100 -0.019 0.000 0.968 78 R CB -0.436 29.852 30.300 -0.021 0.000 0.861 78 R HN 0.506 nan 8.270 nan 0.000 0.440 79 A N 0.083 122.899 122.820 -0.007 0.000 1.858 79 A HA -0.067 4.249 4.320 -0.006 0.000 0.216 79 A C 2.367 179.947 177.584 -0.006 0.000 1.190 79 A CA 1.682 53.714 52.037 -0.008 0.000 0.617 79 A CB -1.395 17.604 19.000 -0.002 0.000 0.827 79 A HN 0.561 nan 8.150 nan 0.000 0.443 80 G N -0.028 108.772 108.800 0.000 0.000 2.469 80 G HA2 -0.370 3.587 3.960 -0.006 0.000 0.219 80 G HA3 -0.370 3.587 3.960 -0.006 0.000 0.219 80 G C 1.510 176.407 174.900 -0.005 0.000 1.150 80 G CA 1.514 46.613 45.100 -0.002 0.000 0.763 80 G HN 0.591 nan 8.290 nan 0.000 0.561 81 N N 0.358 119.052 118.700 -0.010 0.000 2.244 81 N HA -0.053 4.684 4.740 -0.006 0.000 0.183 81 N C 2.366 177.869 175.510 -0.011 0.000 1.016 81 N CA 1.399 54.443 53.050 -0.010 0.000 0.866 81 N CB -0.147 38.331 38.487 -0.016 0.000 0.980 81 N HN 0.216 nan 8.380 nan 0.000 0.430 82 S N -0.148 115.543 115.700 -0.015 0.000 2.368 82 S HA -0.020 4.447 4.470 -0.006 0.000 0.224 82 S C 2.038 176.632 174.600 -0.010 0.000 1.029 82 S CA 0.933 59.124 58.200 -0.016 0.000 0.988 82 S CB -0.527 62.661 63.200 -0.020 0.000 0.838 82 S HN 0.560 nan 8.310 nan 0.000 0.462 83 A N 1.607 124.422 122.820 -0.008 0.000 1.908 83 A HA -0.101 4.216 4.320 -0.006 0.000 0.218 83 A C 2.070 179.654 177.584 -0.001 0.000 1.181 83 A CA 1.323 53.357 52.037 -0.005 0.000 0.627 83 A CB -0.753 18.245 19.000 -0.003 0.000 0.818 83 A HN 0.485 nan 8.150 nan 0.000 0.445 84 I N -0.459 120.111 120.570 0.001 0.000 2.202 84 I HA -0.270 3.896 4.170 -0.006 0.000 0.242 84 I C 3.018 179.138 176.117 0.006 0.000 1.091 84 I CA 1.013 62.315 61.300 0.004 0.000 1.368 84 I CB -0.416 37.587 38.000 0.006 0.000 1.058 84 I HN 0.364 nan 8.210 nan 0.000 0.410 85 A N 0.857 123.681 122.820 0.006 0.000 1.917 85 A HA -0.262 4.055 4.320 -0.006 0.000 0.219 85 A C 2.533 180.120 177.584 0.005 0.000 1.182 85 A CA 2.213 54.255 52.037 0.008 0.000 0.633 85 A CB -0.958 18.044 19.000 0.003 0.000 0.819 85 A HN 0.464 nan 8.150 nan 0.000 0.448 86 A N -1.431 121.389 122.820 0.000 0.000 1.902 86 A HA -0.194 4.122 4.320 -0.006 0.000 0.217 86 A C 2.148 179.733 177.584 0.001 0.000 1.181 86 A CA 2.150 54.186 52.037 -0.001 0.000 0.623 86 A CB -0.547 18.450 19.000 -0.004 0.000 0.818 86 A HN 0.513 nan 8.150 nan 0.000 0.443 87 Q N -0.176 119.625 119.800 0.002 0.000 2.030 87 Q HA -0.127 4.209 4.340 -0.006 0.000 0.204 87 Q C 2.026 178.028 176.000 0.005 0.000 0.986 87 Q CA 2.209 58.014 55.803 0.004 0.000 0.843 87 Q CB -0.729 28.012 28.738 0.005 0.000 0.904 87 Q HN 0.353 nan 8.270 nan 0.000 0.420 88 V N 0.815 120.733 119.914 0.006 0.000 2.392 88 V HA -0.271 3.845 4.120 -0.006 0.000 0.249 88 V C 2.061 178.159 176.094 0.006 0.000 1.059 88 V CA 2.201 64.505 62.300 0.007 0.000 1.051 88 V CB -0.555 31.274 31.823 0.010 0.000 0.658 88 V HN 0.434 nan 8.190 nan 0.000 0.455 89 E N -0.519 119.685 120.200 0.006 0.000 2.072 89 E HA -0.174 4.173 4.350 -0.006 0.000 0.191 89 E C 2.157 178.759 176.600 0.003 0.000 0.985 89 E CA 1.258 57.661 56.400 0.005 0.000 0.801 89 E CB -0.170 29.532 29.700 0.004 0.000 0.750 89 E HN 0.534 nan 8.360 nan 0.000 0.452 90 M N 0.499 120.100 119.600 0.002 0.000 2.562 90 M HA -0.048 4.429 4.480 -0.006 0.000 0.257 90 M C -0.308 175.994 176.300 0.002 0.000 1.099 90 M CA 0.901 56.202 55.300 0.002 0.000 1.099 90 M CB 0.233 32.834 32.600 0.001 0.000 1.427 90 M HN -0.024 nan 8.290 nan 0.000 0.489 91 E N -1.124 119.078 120.200 0.003 0.000 2.640 91 E HA 0.198 4.544 4.350 -0.006 0.000 0.360 91 E C -2.615 173.986 176.600 0.003 0.000 1.014 91 E CA -1.523 54.879 56.400 0.003 0.000 0.757 91 E CB 0.439 30.140 29.700 0.003 0.000 1.565 91 E HN -0.059 nan 8.360 nan 0.000 0.381 92 P HA -0.079 nan 4.420 nan 0.000 0.240 92 P C 0.867 178.168 177.300 0.001 0.000 1.186 92 P CA 1.390 64.492 63.100 0.002 0.000 0.755 92 P CB -0.370 31.330 31.700 0.001 0.000 0.870 93 D N -0.488 119.913 120.400 0.002 0.000 2.378 93 D HA 0.001 4.638 4.640 -0.006 0.000 0.227 93 D C 1.354 177.655 176.300 0.003 0.000 1.012 93 D CA 0.595 54.597 54.000 0.002 0.000 0.905 93 D CB -0.765 40.036 40.800 0.002 0.000 0.895 93 D HN 0.224 nan 8.370 nan 0.000 0.532 94 L N -1.270 119.955 121.223 0.003 0.000 2.966 94 L HA 0.350 4.687 4.340 -0.006 0.000 0.262 94 L C 1.468 178.340 176.870 0.003 0.000 1.165 94 L CA 0.088 54.931 54.840 0.004 0.000 0.978 94 L CB -0.017 42.045 42.059 0.005 0.000 1.337 94 L HN 0.292 nan 8.230 nan 0.000 0.563 95 E N 1.004 121.205 120.200 0.002 0.000 2.608 95 E HA 0.279 4.626 4.350 -0.006 0.000 0.259 95 E C 1.401 178.000 176.600 -0.001 0.000 0.951 95 E CA 0.686 57.087 56.400 0.001 0.000 0.945 95 E CB -0.289 29.410 29.700 -0.002 0.000 0.916 95 E HN 0.563 nan 8.360 nan 0.000 0.477 96 G N 1.227 110.026 108.800 -0.002 0.000 2.176 96 G HA2 -0.273 3.684 3.960 -0.006 0.000 0.253 96 G HA3 -0.273 3.684 3.960 -0.006 0.000 0.253 96 G C 0.701 175.601 174.900 -0.000 0.000 0.979 96 G CA 0.759 45.857 45.100 -0.004 0.000 0.641 96 G HN 1.702 nan 8.290 nan 0.000 0.530 97 M N -0.007 119.595 119.600 0.003 0.000 2.248 97 M HA 0.605 5.081 4.480 -0.006 0.000 0.337 97 M C 0.630 176.934 176.300 0.006 0.000 1.121 97 M CA 0.956 56.259 55.300 0.005 0.000 1.155 97 M CB 1.259 33.862 32.600 0.006 0.000 1.514 97 M HN 1.080 nan 8.290 nan 0.000 0.452 98 G N 0.339 109.143 108.800 0.006 0.000 2.548 98 G HA2 0.589 4.546 3.960 -0.006 0.000 0.301 98 G HA3 0.589 4.546 3.960 -0.006 0.000 0.301 98 G C -1.788 173.115 174.900 0.004 0.000 1.349 98 G CA -0.334 44.769 45.100 0.005 0.000 0.792 98 G HN 0.910 nan 8.290 nan 0.000 0.481 99 T N -0.851 113.703 114.554 -0.001 0.000 2.889 99 T HA 0.651 4.997 4.350 -0.006 0.000 0.315 99 T C 0.323 175.014 174.700 -0.015 0.000 1.291 99 T CA 0.463 62.562 62.100 -0.002 0.000 1.028 99 T CB 1.290 70.159 68.868 0.003 0.000 1.235 99 T HN 1.399 nan 8.240 nan 0.000 0.491 100 T N 1.523 116.069 114.554 -0.015 0.000 2.788 100 T HA 0.722 5.069 4.350 -0.006 0.000 0.287 100 T C -0.374 174.305 174.700 -0.036 0.000 1.007 100 T CA -0.655 61.420 62.100 -0.041 0.000 1.005 100 T CB 1.020 69.877 68.868 -0.019 0.000 1.012 100 T HN 0.609 nan 8.240 nan 0.000 0.530 101 L N 0.500 121.682 121.223 -0.068 0.000 2.543 101 L HA 0.593 4.930 4.340 -0.006 0.000 0.265 101 L C -1.063 175.797 176.870 -0.017 0.000 0.945 101 L CA -0.139 54.682 54.840 -0.032 0.000 0.869 101 L CB 2.347 44.383 42.059 -0.039 0.000 1.294 101 L HN 0.974 nan 8.230 nan 0.000 0.405 102 T N 3.866 118.458 114.554 0.063 0.000 2.841 102 T HA 0.930 5.276 4.350 -0.006 0.000 0.285 102 T C -0.811 173.929 174.700 0.066 0.000 0.991 102 T CA -0.224 61.952 62.100 0.126 0.000 0.966 102 T CB 1.626 70.624 68.868 0.216 0.000 0.962 102 T HN 0.834 nan 8.240 nan 0.000 0.438 103 A N 3.207 126.045 122.820 0.030 0.000 2.539 103 A HA 0.909 5.225 4.320 -0.006 0.000 0.296 103 A C -1.353 176.192 177.584 -0.065 0.000 1.073 103 A CA -0.759 51.272 52.037 -0.010 0.000 0.700 103 A CB 1.145 20.122 19.000 -0.038 0.000 1.296 103 A HN 0.808 nan 8.150 nan 0.000 0.405 104 I N 1.335 121.846 120.570 -0.099 0.000 2.465 104 I HA 0.436 4.603 4.170 -0.006 0.000 0.291 104 I C -1.078 174.886 176.117 -0.254 0.000 1.014 104 I CA -0.733 60.411 61.300 -0.260 0.000 1.093 104 I CB 1.963 39.700 38.000 -0.438 0.000 1.267 104 I HN 0.542 nan 8.210 nan 0.000 0.431 105 L N 6.905 127.940 121.223 -0.313 0.000 2.305 105 L HA 0.585 4.922 4.340 -0.006 0.000 0.284 105 L C -1.310 175.371 176.870 -0.314 0.000 1.013 105 L CA 0.079 54.792 54.840 -0.212 0.000 0.819 105 L CB 0.788 42.758 42.059 -0.150 0.000 1.227 105 L HN 0.259 nan 8.230 nan 0.000 0.417 106 F N 4.091 123.990 119.950 -0.085 0.000 2.399 106 F HA 0.760 5.285 4.527 -0.004 0.000 0.334 106 F C 0.452 176.227 175.800 -0.042 0.000 1.097 106 F CA -0.169 57.789 58.000 -0.069 0.000 1.076 106 F CB 1.889 40.854 39.000 -0.058 0.000 1.162 106 F HN 0.614 nan 8.300 nan 0.000 0.495 107 A N 2.552 125.456 122.820 0.141 0.000 2.497 107 A HA 0.618 4.934 4.320 -0.006 0.000 0.280 107 A C 0.215 177.855 177.584 0.092 0.000 1.065 107 A CA -0.100 51.994 52.037 0.095 0.000 0.781 107 A CB 0.485 19.509 19.000 0.041 0.000 1.289 107 A HN 1.383 nan 8.150 nan 0.000 0.415 108 G N 3.040 111.895 108.800 0.092 0.000 2.602 108 G HA2 -0.328 3.629 3.960 -0.006 0.000 0.310 108 G HA3 -0.328 3.629 3.960 -0.006 0.000 0.310 108 G C 0.466 175.427 174.900 0.103 0.000 1.183 108 G CA 1.099 46.245 45.100 0.077 0.000 0.979 108 G HN 2.030 nan 8.290 nan 0.000 0.545 109 N N 1.336 120.089 118.700 0.087 0.000 2.275 109 N HA 0.228 4.965 4.740 -0.006 0.000 0.236 109 N C 0.578 176.147 175.510 0.097 0.000 1.154 109 N CA 0.693 53.805 53.050 0.103 0.000 0.866 109 N CB 0.123 38.656 38.487 0.077 0.000 1.093 109 N HN 1.133 nan 8.380 nan 0.000 0.515 110 R N -0.177 120.370 120.500 0.079 0.000 2.892 110 R HA 0.797 5.133 4.340 -0.006 0.000 0.265 110 R C -1.083 175.200 176.300 -0.028 0.000 1.025 110 R CA -1.039 55.079 56.100 0.030 0.000 0.982 110 R CB 1.297 31.600 30.300 0.006 0.000 1.185 110 R HN 0.054 nan 8.270 nan 0.000 0.484 111 L N -2.489 118.648 121.223 -0.144 0.000 2.465 111 L HA 0.811 5.148 4.340 -0.006 0.000 0.257 111 L C -0.675 176.034 176.870 -0.269 0.000 0.988 111 L CA -0.634 53.987 54.840 -0.365 0.000 0.827 111 L CB 2.156 43.737 42.059 -0.797 0.000 1.397 111 L HN 0.808 nan 8.230 nan 0.000 0.410 112 G N 1.292 109.923 108.800 -0.283 0.000 2.388 112 G HA2 0.653 4.609 3.960 -0.006 0.000 0.330 112 G HA3 0.653 4.609 3.960 -0.006 0.000 0.330 112 G C -1.743 173.019 174.900 -0.230 0.000 1.142 112 G CA -0.617 44.365 45.100 -0.197 0.000 0.908 112 G HN 0.800 nan 8.290 nan 0.000 0.473 113 L N 2.890 124.019 121.223 -0.157 0.000 2.333 113 L HA 0.764 5.100 4.340 -0.006 0.000 0.280 113 L C -0.704 176.132 176.870 -0.057 0.000 1.004 113 L CA -0.947 53.821 54.840 -0.120 0.000 0.820 113 L CB 1.946 43.946 42.059 -0.098 0.000 1.247 113 L HN 0.389 nan 8.230 nan 0.000 0.416 114 V N 5.308 125.203 119.914 -0.032 0.000 2.604 114 V HA 0.674 4.790 4.120 -0.006 0.000 0.305 114 V C -1.573 174.563 176.094 0.071 0.000 1.043 114 V CA -0.234 62.068 62.300 0.002 0.000 0.888 114 V CB 1.757 33.562 31.823 -0.029 0.000 0.995 114 V HN 1.039 nan 8.190 nan 0.000 0.429 115 H N 4.788 123.838 119.070 -0.033 0.000 3.038 115 H HA 0.740 5.293 4.556 -0.006 0.000 0.362 115 H C -1.651 173.669 175.328 -0.014 0.000 1.167 115 H CA -0.315 55.719 56.048 -0.022 0.000 1.197 115 H CB 1.815 31.561 29.762 -0.025 0.000 1.840 115 H HN 0.831 nan 8.280 nan 0.000 0.540 116 I N 4.827 124.938 120.570 -0.765 0.000 2.685 116 I HA 0.572 4.738 4.170 -0.006 0.000 0.289 116 I C -0.335 175.423 176.117 -0.597 0.000 1.292 116 I CA 0.758 61.720 61.300 -0.563 0.000 1.050 116 I CB 1.060 38.929 38.000 -0.218 0.000 1.301 116 I HN 1.068 nan 8.210 nan 0.000 0.425 117 G N 5.754 114.311 108.800 -0.405 0.000 2.378 117 G HA2 -0.119 3.838 3.960 -0.006 0.000 0.198 117 G HA3 -0.119 3.838 3.960 -0.006 0.000 0.198 117 G C -0.588 174.322 174.900 0.017 0.000 1.223 117 G CA 0.189 45.200 45.100 -0.148 0.000 1.088 117 G HN 0.929 nan 8.290 nan 0.000 0.530 118 D N -0.379 120.067 120.400 0.077 0.000 2.503 118 D HA 0.292 4.929 4.640 -0.006 0.000 0.218 118 D C 1.248 177.636 176.300 0.145 0.000 1.183 118 D CA 1.005 55.084 54.000 0.132 0.000 0.827 118 D CB -0.264 40.589 40.800 0.088 0.000 1.034 118 D HN 0.880 nan 8.370 nan 0.000 0.510 119 S N -0.067 115.733 115.700 0.167 0.000 2.608 119 S HA 0.543 5.010 4.470 -0.006 0.000 0.261 119 S C 0.344 175.064 174.600 0.200 0.000 1.314 119 S CA -0.645 57.654 58.200 0.164 0.000 0.992 119 S CB 1.405 64.686 63.200 0.134 0.000 0.935 119 S HN 0.182 nan 8.310 nan 0.000 0.564 120 R N -0.770 119.803 120.500 0.122 0.000 2.771 120 R HA 0.686 5.022 4.340 -0.006 0.000 0.274 120 R C -0.392 175.921 176.300 0.021 0.000 0.987 120 R CA -0.810 55.278 56.100 -0.022 0.000 0.908 120 R CB 2.334 32.592 30.300 -0.070 0.000 1.213 120 R HN 0.837 nan 8.270 nan 0.000 0.468 121 G N 1.126 109.858 108.800 -0.114 0.000 2.495 121 G HA2 0.623 4.579 3.960 -0.006 0.000 0.318 121 G HA3 0.623 4.579 3.960 -0.006 0.000 0.318 121 G C -1.577 173.279 174.900 -0.073 0.000 1.257 121 G CA -0.282 44.832 45.100 0.023 0.000 0.962 121 G HN 0.378 nan 8.290 nan 0.000 0.483 122 Y N 0.022 120.369 120.300 0.080 0.000 2.545 122 Y HA 0.597 5.144 4.550 -0.005 0.000 0.348 122 Y C -0.386 175.551 175.900 0.062 0.000 1.002 122 Y CA -1.052 57.078 58.100 0.051 0.000 1.039 122 Y CB 2.863 41.340 38.460 0.028 0.000 1.271 122 Y HN 0.547 nan 8.280 nan 0.000 0.467 123 L N 3.745 125.062 121.223 0.156 0.000 2.341 123 L HA 0.628 4.965 4.340 -0.006 0.000 0.278 123 L C -1.811 175.030 176.870 -0.048 0.000 1.005 123 L CA -0.849 53.955 54.840 -0.060 0.000 0.818 123 L CB 1.377 43.389 42.059 -0.079 0.000 1.259 123 L HN 0.579 nan 8.230 nan 0.000 0.418 124 L N 6.062 127.210 121.223 -0.125 0.000 2.265 124 L HA 0.645 4.981 4.340 -0.006 0.000 0.289 124 L C -0.742 176.055 176.870 -0.121 0.000 1.033 124 L CA 0.069 54.857 54.840 -0.087 0.000 0.814 124 L CB 0.593 42.612 42.059 -0.067 0.000 1.203 124 L HN 0.822 nan 8.230 nan 0.000 0.423 125 R N 3.830 124.284 120.500 -0.078 0.000 2.564 125 R HA 0.298 4.634 4.340 -0.006 0.000 0.284 125 R C -0.851 175.429 176.300 -0.034 0.000 1.031 125 R CA -0.444 55.616 56.100 -0.066 0.000 0.904 125 R CB 1.156 31.418 30.300 -0.065 0.000 1.199 125 R HN 0.724 nan 8.270 nan 0.000 0.443 126 D N 3.234 123.619 120.400 -0.026 0.000 2.733 126 D HA -0.208 4.429 4.640 -0.006 0.000 0.232 126 D C 0.787 177.078 176.300 -0.014 0.000 1.161 126 D CA 2.094 56.085 54.000 -0.015 0.000 0.653 126 D CB -0.886 39.909 40.800 -0.008 0.000 1.052 126 D HN 1.067 nan 8.370 nan 0.000 0.424 127 G N -1.139 107.649 108.800 -0.019 0.000 2.179 127 G HA2 -0.329 3.628 3.960 -0.006 0.000 0.260 127 G HA3 -0.329 3.628 3.960 -0.006 0.000 0.260 127 G C 0.067 174.959 174.900 -0.013 0.000 0.977 127 G CA 0.466 45.556 45.100 -0.016 0.000 0.641 127 G HN 0.402 nan 8.290 nan 0.000 0.533 128 E N -0.328 119.865 120.200 -0.011 0.000 2.231 128 E HA 0.602 4.948 4.350 -0.006 0.000 0.277 128 E C -0.357 176.243 176.600 0.001 0.000 0.999 128 E CA -0.858 55.540 56.400 -0.003 0.000 0.827 128 E CB 2.072 31.773 29.700 0.001 0.000 1.101 128 E HN 0.293 nan 8.360 nan 0.000 0.393 129 L N 2.604 123.839 121.223 0.019 0.000 2.287 129 L HA 0.374 4.710 4.340 -0.006 0.000 0.287 129 L C -0.398 176.526 176.870 0.091 0.000 1.022 129 L CA -0.062 54.808 54.840 0.051 0.000 0.814 129 L CB 1.202 43.285 42.059 0.041 0.000 1.217 129 L HN 0.544 nan 8.230 nan 0.000 0.420 130 T N 1.381 116.000 114.554 0.107 0.000 2.907 130 T HA 0.441 4.788 4.350 -0.006 0.000 0.292 130 T C -0.626 174.116 174.700 0.070 0.000 1.043 130 T CA -0.771 61.376 62.100 0.078 0.000 1.003 130 T CB 1.532 70.416 68.868 0.027 0.000 1.084 130 T HN 0.668 nan 8.240 nan 0.000 0.483 131 Q N 1.685 121.439 119.800 -0.078 0.000 2.303 131 Q HA 0.448 4.785 4.340 -0.006 0.000 0.257 131 Q C 0.608 176.474 176.000 -0.223 0.000 0.941 131 Q CA -0.721 54.870 55.803 -0.353 0.000 0.931 131 Q CB 0.791 29.232 28.738 -0.495 0.000 1.215 131 Q HN 0.853 nan 8.270 nan 0.000 0.437 132 I N 0.194 120.644 120.570 -0.199 0.000 3.883 132 I HA 0.213 4.379 4.170 -0.006 0.000 0.326 132 I C 0.342 176.357 176.117 -0.171 0.000 1.283 132 I CA -0.244 60.989 61.300 -0.110 0.000 1.161 132 I CB 0.475 38.471 38.000 -0.007 0.000 1.012 132 I HN 0.364 nan 8.210 nan 0.000 0.421 133 T N -0.789 113.589 114.554 -0.294 0.000 2.932 133 T HA 0.469 4.816 4.350 -0.006 0.000 0.289 133 T C -0.639 173.839 174.700 -0.369 0.000 1.039 133 T CA -0.775 61.053 62.100 -0.455 0.000 1.024 133 T CB 2.728 71.075 68.868 -0.869 0.000 1.090 133 T HN 0.186 nan 8.240 nan 0.000 0.496 134 K N 1.190 121.409 120.400 -0.302 0.000 2.323 134 K HA 0.328 4.645 4.320 -0.006 0.000 0.259 134 K C -1.122 175.471 176.600 -0.012 0.000 0.947 134 K CA -0.676 55.535 56.287 -0.128 0.000 0.819 134 K CB 1.045 33.518 32.500 -0.045 0.000 1.109 134 K HN 0.635 nan 8.250 nan 0.000 0.429 135 D N 2.548 122.960 120.400 0.019 0.000 2.493 135 D HA -0.017 4.619 4.640 -0.006 0.000 0.240 135 D C -0.373 176.001 176.300 0.124 0.000 1.142 135 D CA 0.572 54.640 54.000 0.113 0.000 0.872 135 D CB 0.668 41.505 40.800 0.063 0.000 1.173 135 D HN 0.321 nan 8.370 nan 0.000 0.467 136 D N 1.472 121.960 120.400 0.146 0.000 3.057 136 D HA 0.076 4.713 4.640 -0.006 0.000 0.246 136 D C 0.186 176.533 176.300 0.079 0.000 1.238 136 D CA -0.042 54.014 54.000 0.093 0.000 0.949 136 D CB -0.061 40.766 40.800 0.045 0.000 1.086 136 D HN 0.318 nan 8.370 nan 0.000 0.487 137 T N -3.385 111.224 114.554 0.092 0.000 2.924 137 T HA 0.238 4.584 4.350 -0.006 0.000 0.291 137 T C 1.031 175.831 174.700 0.167 0.000 1.045 137 T CA -0.773 61.395 62.100 0.112 0.000 1.015 137 T CB 1.486 70.410 68.868 0.092 0.000 1.103 137 T HN -0.146 nan 8.240 nan 0.000 0.496 138 F N 2.175 122.130 119.950 0.008 0.000 2.091 138 F HA -0.122 4.401 4.527 -0.006 0.000 0.299 138 F C 2.586 178.385 175.800 -0.001 0.000 1.103 138 F CA 2.107 60.109 58.000 0.003 0.000 1.228 138 F CB -0.909 38.092 39.000 0.001 0.000 0.984 138 F HN 0.536 nan 8.300 nan 0.000 0.477 139 V N -0.176 119.735 119.914 -0.005 0.000 2.282 139 V HA -0.343 3.774 4.120 -0.006 0.000 0.249 139 V C 2.247 178.281 176.094 -0.101 0.000 1.057 139 V CA 2.397 64.627 62.300 -0.117 0.000 1.032 139 V CB -1.189 30.597 31.823 -0.062 0.000 0.645 139 V HN 0.468 nan 8.190 nan 0.000 0.447 140 Q N 0.849 120.631 119.800 -0.029 0.000 2.061 140 Q HA -0.158 4.179 4.340 -0.006 0.000 0.204 140 Q C 2.248 178.224 176.000 -0.040 0.000 0.984 140 Q CA 2.998 58.787 55.803 -0.024 0.000 0.846 140 Q CB -1.090 27.654 28.738 0.011 0.000 0.902 140 Q HN 0.770 nan 8.270 nan 0.000 0.421 141 T N 0.888 115.427 114.554 -0.026 0.000 2.684 141 T HA -0.150 4.196 4.350 -0.006 0.000 0.267 141 T C 1.684 176.322 174.700 -0.103 0.000 1.036 141 T CA 1.531 63.616 62.100 -0.025 0.000 1.148 141 T CB -0.303 68.604 68.868 0.064 0.000 0.863 141 T HN 0.245 nan 8.240 nan 0.000 0.436 142 L N 0.437 121.526 121.223 -0.223 0.000 2.046 142 L HA -0.049 4.288 4.340 -0.006 0.000 0.208 142 L C 2.719 179.499 176.870 -0.150 0.000 1.077 142 L CA 0.874 55.561 54.840 -0.255 0.000 0.747 142 L CB -0.693 41.122 42.059 -0.406 0.000 0.896 142 L HN 0.156 nan 8.230 nan 0.000 0.432 143 V N 0.009 119.850 119.914 -0.122 0.000 2.379 143 V HA -0.256 3.861 4.120 -0.006 0.000 0.245 143 V C 2.025 178.083 176.094 -0.060 0.000 1.044 143 V CA 2.050 64.300 62.300 -0.084 0.000 1.036 143 V CB -0.261 31.519 31.823 -0.071 0.000 0.664 143 V HN 0.416 nan 8.190 nan 0.000 0.453 144 D N 0.162 120.532 120.400 -0.051 0.000 2.190 144 D HA -0.180 4.456 4.640 -0.006 0.000 0.200 144 D C 1.952 178.232 176.300 -0.033 0.000 0.992 144 D CA 1.663 55.642 54.000 -0.034 0.000 0.854 144 D CB -0.136 40.650 40.800 -0.023 0.000 0.936 144 D HN 0.646 nan 8.370 nan 0.000 0.462 145 E N -0.730 119.444 120.200 -0.044 0.000 2.444 145 E HA 0.250 4.597 4.350 -0.006 0.000 0.191 145 E C 0.925 177.500 176.600 -0.042 0.000 1.041 145 E CA 0.072 56.450 56.400 -0.038 0.000 0.883 145 E CB 0.426 30.103 29.700 -0.038 0.000 1.024 145 E HN 0.209 nan 8.360 nan 0.000 0.470 146 G N 2.109 110.880 108.800 -0.048 0.000 2.258 146 G HA2 -0.372 3.584 3.960 -0.006 0.000 0.274 146 G HA3 -0.372 3.584 3.960 -0.006 0.000 0.274 146 G C 0.849 175.717 174.900 -0.053 0.000 1.021 146 G CA 0.676 45.749 45.100 -0.045 0.000 0.798 146 G HN 0.295 nan 8.290 nan 0.000 0.507 147 R N -0.628 119.828 120.500 -0.074 0.000 2.223 147 R HA 0.377 4.713 4.340 -0.006 0.000 0.198 147 R C 1.463 177.707 176.300 -0.093 0.000 0.984 147 R CA 1.262 57.312 56.100 -0.082 0.000 1.018 147 R CB 0.172 30.408 30.300 -0.107 0.000 0.945 147 R HN 0.774 nan 8.270 nan 0.000 0.479 148 I N -2.791 117.717 120.570 -0.104 0.000 2.865 148 I HA 0.413 4.580 4.170 -0.006 0.000 0.302 148 I C -0.095 175.970 176.117 -0.086 0.000 1.140 148 I CA -1.251 59.989 61.300 -0.102 0.000 1.021 148 I CB 2.147 40.065 38.000 -0.136 0.000 1.233 148 I HN -0.168 nan 8.210 nan 0.000 0.427 149 T N 0.162 114.670 114.554 -0.076 0.000 2.828 149 T HA 0.406 4.752 4.350 -0.006 0.000 0.290 149 T C -1.905 172.754 174.700 -0.067 0.000 1.019 149 T CA -1.323 60.741 62.100 -0.060 0.000 1.031 149 T CB 0.897 69.737 68.868 -0.045 0.000 1.001 149 T HN 0.547 nan 8.240 nan 0.000 0.531 150 P HA 0.060 nan 4.420 nan 0.000 0.218 150 P C 1.754 179.029 177.300 -0.042 0.000 1.149 150 P CA 1.652 64.728 63.100 -0.041 0.000 0.817 150 P CB -0.274 31.413 31.700 -0.021 0.000 0.785 151 E N 0.940 121.119 120.200 -0.035 0.000 2.047 151 E HA -0.231 4.115 4.350 -0.006 0.000 0.191 151 E C 1.827 178.383 176.600 -0.073 0.000 0.987 151 E CA 1.400 57.788 56.400 -0.019 0.000 0.799 151 E CB -1.642 28.058 29.700 0.001 0.000 0.752 151 E HN 0.458 nan 8.360 nan 0.000 0.449 152 E N -0.017 120.106 120.200 -0.129 0.000 2.333 152 E HA 0.012 4.358 4.350 -0.006 0.000 0.198 152 E C 2.115 178.429 176.600 -0.477 0.000 1.007 152 E CA 0.562 56.799 56.400 -0.271 0.000 0.845 152 E CB -0.113 29.481 29.700 -0.176 0.000 0.766 152 E HN 0.525 nan 8.360 nan 0.000 0.507 153 A N 0.634 123.288 122.820 -0.276 0.000 2.235 153 A HA -0.024 4.293 4.320 -0.006 0.000 0.208 153 A C -0.206 177.290 177.584 -0.146 0.000 1.172 153 A CA 0.427 52.337 52.037 -0.211 0.000 0.786 153 A CB -0.642 18.298 19.000 -0.100 0.000 0.804 153 A HN 0.369 nan 8.150 nan 0.000 0.479 162 I N 2.040 122.646 120.570 0.060 0.000 2.354 162 I HA 0.703 4.870 4.170 -0.006 0.000 0.286 162 I C -0.753 175.399 176.117 0.058 0.000 1.007 162 I CA 0.056 61.380 61.300 0.039 0.000 1.167 162 I CB 1.421 39.443 38.000 0.037 0.000 1.320 162 I HN 0.503 nan 8.210 nan 0.000 0.458 163 M N 5.866 125.483 119.600 0.029 0.000 2.490 163 M HA 0.429 4.906 4.480 -0.006 0.000 0.286 163 M C -1.429 174.877 176.300 0.010 0.000 1.185 163 M CA -0.608 54.712 55.300 0.033 0.000 0.912 163 M CB 2.431 35.052 32.600 0.034 0.000 1.744 163 M HN 0.465 nan 8.290 nan 0.000 0.494 164 R N 1.896 122.400 120.500 0.006 0.000 2.643 164 R HA 0.665 5.002 4.340 -0.006 0.000 0.270 164 R C -0.643 175.641 176.300 -0.027 0.000 1.061 164 R CA 0.441 56.535 56.100 -0.011 0.000 1.107 164 R CB 0.892 31.182 30.300 -0.017 0.000 0.999 164 R HN 0.677 nan 8.270 nan 0.000 0.460 165 A N 2.672 125.479 122.820 -0.023 0.000 2.612 165 A HA 0.383 4.700 4.320 -0.006 0.000 0.293 165 A C -1.182 176.393 177.584 -0.015 0.000 1.075 165 A CA -0.834 51.188 52.037 -0.025 0.000 0.680 165 A CB 1.150 20.142 19.000 -0.012 0.000 1.279 165 A HN 0.575 nan 8.150 nan 0.000 0.411 166 L N 2.001 123.213 121.223 -0.019 0.000 2.325 166 L HA 0.359 4.696 4.340 -0.006 0.000 0.284 166 L C 1.166 178.040 176.870 0.006 0.000 1.089 166 L CA 0.407 55.243 54.840 -0.006 0.000 0.836 166 L CB 0.672 42.723 42.059 -0.014 0.000 1.184 166 L HN 0.935 nan 8.230 nan 0.000 0.444 167 T N -2.451 112.116 114.554 0.023 0.000 3.091 167 T HA 0.319 4.666 4.350 -0.006 0.000 0.277 167 T C 1.188 175.912 174.700 0.040 0.000 0.996 167 T CA 0.246 62.362 62.100 0.027 0.000 0.897 167 T CB 0.887 69.772 68.868 0.028 0.000 1.109 167 T HN 0.817 nan 8.240 nan 0.000 0.534 168 G N 1.245 110.068 108.800 0.038 0.000 2.258 168 G HA2 -0.257 3.700 3.960 -0.006 0.000 0.233 168 G HA3 -0.257 3.700 3.960 -0.006 0.000 0.233 168 G C -0.020 174.914 174.900 0.057 0.000 1.006 168 G CA 0.061 45.182 45.100 0.035 0.000 0.620 168 G HN 0.835 nan 8.290 nan 0.000 0.511 169 H N 2.408 121.469 119.070 -0.014 0.000 2.683 169 H HA 0.542 5.094 4.556 -0.006 0.000 0.339 169 H C 0.701 176.020 175.328 -0.016 0.000 1.081 169 H CA 0.672 56.711 56.048 -0.015 0.000 1.432 169 H CB 0.844 30.597 29.762 -0.015 0.000 1.462 169 H HN 0.656 nan 8.280 nan 0.000 0.557 170 E N 3.775 123.745 120.200 -0.383 0.000 2.465 170 E HA 0.385 4.732 4.350 -0.006 0.000 0.260 170 E C -0.714 175.815 176.600 -0.119 0.000 0.980 170 E CA 0.007 56.270 56.400 -0.229 0.000 0.927 170 E CB 0.271 29.821 29.700 -0.250 0.000 0.934 170 E HN 0.502 nan 8.360 nan 0.000 0.459 171 V N 2.203 122.089 119.914 -0.048 0.000 2.924 171 V HA 0.381 4.498 4.120 -0.006 0.000 0.300 171 V C -0.624 175.458 176.094 -0.020 0.000 1.227 171 V CA -1.196 61.100 62.300 -0.008 0.000 0.954 171 V CB 2.001 33.832 31.823 0.014 0.000 1.055 171 V HN 0.828 nan 8.190 nan 0.000 0.429 172 E N 5.044 125.235 120.200 -0.014 0.000 2.174 172 E HA 0.511 4.858 4.350 -0.006 0.000 0.282 172 E C -2.372 174.219 176.600 -0.015 0.000 0.992 172 E CA -1.495 54.896 56.400 -0.016 0.000 0.803 172 E CB 1.777 31.469 29.700 -0.013 0.000 1.090 172 E HN 0.593 nan 8.360 nan 0.000 0.396 173 P HA 0.126 nan 4.420 nan 0.000 0.279 173 P C -0.529 176.769 177.300 -0.003 0.000 1.276 173 P CA -0.593 62.492 63.100 -0.025 0.000 0.801 173 P CB 0.768 32.446 31.700 -0.038 0.000 1.127 174 T N 0.731 115.297 114.554 0.020 0.000 2.869 174 T HA 0.438 4.785 4.350 -0.006 0.000 0.295 174 T C 0.078 174.793 174.700 0.025 0.000 0.987 174 T CA -0.022 62.100 62.100 0.038 0.000 1.109 174 T CB -0.059 68.858 68.868 0.081 0.000 0.932 174 T HN 0.198 nan 8.240 nan 0.000 0.518 175 L N 2.999 124.225 121.223 0.006 0.000 2.409 175 L HA 0.515 4.851 4.340 -0.006 0.000 0.272 175 L C -0.285 176.574 176.870 -0.018 0.000 0.980 175 L CA -0.572 54.261 54.840 -0.011 0.000 0.826 175 L CB 2.230 44.278 42.059 -0.018 0.000 1.268 175 L HN 0.645 nan 8.230 nan 0.000 0.407 176 T N 3.132 117.668 114.554 -0.031 0.000 2.937 176 T HA 0.405 4.751 4.350 -0.006 0.000 0.297 176 T C -0.537 174.131 174.700 -0.053 0.000 0.991 176 T CA -0.452 61.628 62.100 -0.034 0.000 0.990 176 T CB 1.675 70.525 68.868 -0.029 0.000 0.991 176 T HN 0.441 nan 8.240 nan 0.000 0.440 177 M N 3.898 123.472 119.600 -0.044 0.000 2.211 177 M HA 0.533 5.009 4.480 -0.006 0.000 0.356 177 M C -0.294 175.982 176.300 -0.040 0.000 1.216 177 M CA 0.440 55.709 55.300 -0.052 0.000 1.134 177 M CB 0.338 32.916 32.600 -0.038 0.000 1.564 177 M HN 0.530 nan 8.290 nan 0.000 0.463 178 R N 2.196 122.667 120.500 -0.049 0.000 2.799 178 R HA 0.336 4.673 4.340 -0.006 0.000 0.270 178 R C -1.393 174.911 176.300 0.008 0.000 1.010 178 R CA -1.028 55.064 56.100 -0.013 0.000 0.916 178 R CB 1.651 31.949 30.300 -0.003 0.000 1.228 178 R HN 0.714 nan 8.270 nan 0.000 0.469 179 E N 1.110 121.341 120.200 0.051 0.000 2.259 179 E HA 0.320 4.667 4.350 -0.006 0.000 0.281 179 E C -1.097 175.598 176.600 0.157 0.000 1.037 179 E CA -0.311 56.139 56.400 0.082 0.000 0.854 179 E CB 1.095 30.839 29.700 0.074 0.000 1.051 179 E HN 0.599 nan 8.360 nan 0.000 0.409 180 A N 5.997 128.926 122.820 0.181 0.000 2.252 180 A HA 0.380 4.696 4.320 -0.006 0.000 0.309 180 A C -0.355 177.369 177.584 0.233 0.000 1.285 180 A CA -0.511 51.715 52.037 0.315 0.000 0.900 180 A CB 0.465 19.703 19.000 0.396 0.000 1.157 180 A HN 0.676 nan 8.150 nan 0.000 0.536 181 R N 1.956 122.592 120.500 0.227 0.000 2.514 181 R HA 0.575 4.912 4.340 -0.006 0.000 0.301 181 R C 0.131 176.496 176.300 0.108 0.000 0.962 181 R CA -0.552 55.627 56.100 0.132 0.000 0.882 181 R CB 2.022 32.376 30.300 0.091 0.000 1.143 181 R HN 0.852 nan 8.270 nan 0.000 0.452 182 A N 1.188 124.051 122.820 0.072 0.000 2.584 182 A HA 0.319 4.635 4.320 -0.006 0.000 0.239 182 A C 1.300 178.904 177.584 0.034 0.000 1.043 182 A CA 1.275 53.340 52.037 0.046 0.000 0.756 182 A CB -0.396 18.623 19.000 0.031 0.000 0.963 182 A HN 0.996 nan 8.150 nan 0.000 0.511 183 G N 1.984 110.797 108.800 0.022 0.000 2.268 183 G HA2 -0.214 3.742 3.960 -0.006 0.000 0.240 183 G HA3 -0.214 3.742 3.960 -0.006 0.000 0.240 183 G C 0.036 174.928 174.900 -0.014 0.000 1.010 183 G CA 0.319 45.421 45.100 0.003 0.000 0.618 183 G HN 0.877 nan 8.290 nan 0.000 0.516 184 D N 0.680 121.075 120.400 -0.007 0.000 2.488 184 D HA 0.391 5.028 4.640 -0.006 0.000 0.238 184 D C 0.791 177.016 176.300 -0.124 0.000 1.138 184 D CA 0.416 54.348 54.000 -0.113 0.000 0.873 184 D CB 0.672 41.404 40.800 -0.114 0.000 1.183 184 D HN 0.602 nan 8.370 nan 0.000 0.458 185 R N 2.140 122.512 120.500 -0.214 0.000 2.437 185 R HA 0.299 4.635 4.340 -0.006 0.000 0.310 185 R C -1.265 174.886 176.300 -0.248 0.000 0.955 185 R CA -0.630 55.394 56.100 -0.127 0.000 0.851 185 R CB 0.489 30.755 30.300 -0.056 0.000 1.161 185 R HN 0.314 nan 8.270 nan 0.000 0.446 186 Y N 3.990 124.364 120.300 0.123 0.000 2.342 186 Y HA 0.371 4.917 4.550 -0.006 0.000 0.334 186 Y C -0.330 175.655 175.900 0.142 0.000 1.067 186 Y CA -0.883 57.313 58.100 0.160 0.000 1.128 186 Y CB 1.717 40.319 38.460 0.237 0.000 1.200 186 Y HN 0.434 nan 8.280 nan 0.000 0.464 187 L N 5.018 126.416 121.223 0.291 0.000 2.325 187 L HA 0.601 4.938 4.340 -0.006 0.000 0.281 187 L C -1.584 175.451 176.870 0.276 0.000 1.004 187 L CA -0.587 54.389 54.840 0.228 0.000 0.823 187 L CB 0.803 42.934 42.059 0.119 0.000 1.236 187 L HN 0.543 nan 8.230 nan 0.000 0.415 188 L N 5.464 126.818 121.223 0.219 0.000 2.309 188 L HA 0.735 5.072 4.340 -0.006 0.000 0.282 188 L C -0.449 176.522 176.870 0.169 0.000 1.036 188 L CA -0.704 54.252 54.840 0.192 0.000 0.806 188 L CB 1.525 43.677 42.059 0.155 0.000 1.220 188 L HN 0.866 nan 8.230 nan 0.000 0.429 189 C N -0.002 119.404 119.300 0.176 0.000 3.086 189 C HA 0.753 5.210 4.460 -0.006 0.000 0.311 189 C C 0.324 175.392 174.990 0.130 0.000 1.260 189 C CA -0.899 58.204 59.018 0.143 0.000 1.426 189 C CB 1.200 29.027 27.740 0.145 0.000 1.826 189 C HN 0.886 nan 8.230 nan 0.000 0.474 190 S N 0.633 116.392 115.700 0.099 0.000 2.624 190 S HA 0.325 4.791 4.470 -0.006 0.000 0.263 190 S C 0.848 175.502 174.600 0.089 0.000 1.287 190 S CA 0.544 58.797 58.200 0.088 0.000 0.990 190 S CB 0.771 64.011 63.200 0.066 0.000 0.950 190 S HN 0.987 nan 8.310 nan 0.000 0.561 191 D N 0.203 120.652 120.400 0.082 0.000 2.354 191 D HA -0.030 4.607 4.640 -0.006 0.000 0.216 191 D C 1.622 177.958 176.300 0.061 0.000 0.970 191 D CA 1.179 55.226 54.000 0.077 0.000 0.905 191 D CB -1.045 39.798 40.800 0.072 0.000 0.903 191 D HN 0.688 nan 8.370 nan 0.000 0.508 192 G N -0.030 108.800 108.800 0.051 0.000 2.534 192 G HA2 -0.091 3.866 3.960 -0.006 0.000 0.217 192 G HA3 -0.091 3.866 3.960 -0.006 0.000 0.217 192 G C 1.364 176.283 174.900 0.031 0.000 1.128 192 G CA 0.665 45.786 45.100 0.036 0.000 0.784 192 G HN 0.341 nan 8.290 nan 0.000 0.542 193 L N 1.245 122.493 121.223 0.042 0.000 2.130 193 L HA 0.161 4.497 4.340 -0.006 0.000 0.200 193 L C 2.904 179.797 176.870 0.039 0.000 1.075 193 L CA 2.347 57.206 54.840 0.031 0.000 0.768 193 L CB -0.494 41.586 42.059 0.034 0.000 0.933 193 L HN 0.192 nan 8.230 nan 0.000 0.451 194 S N -1.849 113.895 115.700 0.073 0.000 2.496 194 S HA -0.056 4.410 4.470 -0.006 0.000 0.224 194 S C 1.494 176.142 174.600 0.079 0.000 0.996 194 S CA 0.568 58.825 58.200 0.095 0.000 0.927 194 S CB -0.559 62.745 63.200 0.174 0.000 0.774 194 S HN 0.436 nan 8.310 nan 0.000 0.524 195 D N 3.107 123.547 120.400 0.067 0.000 2.077 195 D HA 0.007 4.643 4.640 -0.006 0.000 0.196 195 D C -0.349 175.976 176.300 0.041 0.000 0.986 195 D CA 1.290 55.325 54.000 0.059 0.000 0.829 195 D CB -1.406 39.425 40.800 0.051 0.000 0.983 195 D HN 0.436 nan 8.370 nan 0.000 0.453 196 P HA 0.024 nan 4.420 nan 0.000 0.231 196 P C -0.045 177.261 177.300 0.009 0.000 1.168 196 P CA 0.484 63.591 63.100 0.011 0.000 0.779 196 P CB 0.654 32.354 31.700 0.001 0.000 0.844 197 V N 1.387 121.308 119.914 0.012 0.000 2.409 197 V HA 0.213 4.329 4.120 -0.006 0.000 0.291 197 V C 0.749 176.846 176.094 0.006 0.000 1.020 197 V CA -0.749 61.551 62.300 -0.000 0.000 0.848 197 V CB 1.458 33.271 31.823 -0.017 0.000 0.990 197 V HN 0.124 nan 8.190 nan 0.000 0.430 198 S N 2.296 117.999 115.700 0.004 0.000 2.589 198 S HA 0.123 4.589 4.470 -0.006 0.000 0.265 198 S C 0.727 175.322 174.600 -0.008 0.000 1.342 198 S CA -0.392 57.816 58.200 0.013 0.000 1.005 198 S CB 0.777 63.984 63.200 0.013 0.000 0.909 198 S HN 0.678 nan 8.310 nan 0.000 0.555 199 D N 0.926 121.334 120.400 0.013 0.000 2.178 199 D HA -0.069 4.568 4.640 -0.006 0.000 0.201 199 D C 2.285 178.565 176.300 -0.034 0.000 0.980 199 D CA 1.511 55.503 54.000 -0.013 0.000 0.842 199 D CB -0.514 40.329 40.800 0.072 0.000 0.948 199 D HN 0.842 nan 8.370 nan 0.000 0.472 200 E N -0.234 119.958 120.200 -0.014 0.000 2.072 200 E HA -0.130 4.216 4.350 -0.006 0.000 0.191 200 E C 2.084 178.666 176.600 -0.030 0.000 0.985 200 E CA 1.428 57.818 56.400 -0.017 0.000 0.801 200 E CB -1.550 28.146 29.700 -0.006 0.000 0.750 200 E HN 0.340 nan 8.360 nan 0.000 0.452 201 T N 1.085 115.620 114.554 -0.031 0.000 2.746 201 T HA 0.046 4.392 4.350 -0.006 0.000 0.267 201 T C 2.033 176.698 174.700 -0.058 0.000 1.039 201 T CA 1.478 63.556 62.100 -0.036 0.000 1.142 201 T CB -0.469 68.382 68.868 -0.028 0.000 0.866 201 T HN 0.287 nan 8.240 nan 0.000 0.444 202 I N 0.774 121.291 120.570 -0.089 0.000 2.163 202 I HA -0.166 4.000 4.170 -0.006 0.000 0.243 202 I C 2.362 178.400 176.117 -0.132 0.000 1.085 202 I CA 0.884 62.098 61.300 -0.143 0.000 1.347 202 I CB -0.406 37.431 38.000 -0.272 0.000 1.044 202 I HN 0.162 nan 8.210 nan 0.000 0.408 203 L N 1.025 122.181 121.223 -0.113 0.000 2.042 203 L HA -0.255 4.081 4.340 -0.006 0.000 0.210 203 L C 2.297 179.134 176.870 -0.054 0.000 1.076 203 L CA 1.937 56.730 54.840 -0.079 0.000 0.749 203 L CB -0.690 41.338 42.059 -0.051 0.000 0.893 203 L HN 0.199 nan 8.230 nan 0.000 0.432 204 E N -0.636 119.537 120.200 -0.045 0.000 2.049 204 E HA -0.265 4.082 4.350 -0.006 0.000 0.198 204 E C 2.183 178.765 176.600 -0.030 0.000 1.007 204 E CA 1.543 57.924 56.400 -0.031 0.000 0.809 204 E CB -0.355 29.330 29.700 -0.025 0.000 0.749 204 E HN 0.665 nan 8.360 nan 0.000 0.450 205 A N 0.560 123.358 122.820 -0.037 0.000 1.972 205 A HA -0.146 4.171 4.320 -0.006 0.000 0.219 205 A C 2.057 179.624 177.584 -0.028 0.000 1.169 205 A CA 1.016 53.035 52.037 -0.029 0.000 0.635 205 A CB -0.493 18.485 19.000 -0.036 0.000 0.810 205 A HN 0.207 nan 8.150 nan 0.000 0.446 206 L N -1.112 120.085 121.223 -0.044 0.000 2.552 206 L HA -0.081 4.256 4.340 -0.006 0.000 0.227 206 L C 2.361 179.213 176.870 -0.029 0.000 1.146 206 L CA 0.529 55.346 54.840 -0.039 0.000 0.858 206 L CB -0.214 41.809 42.059 -0.060 0.000 0.969 206 L HN 0.349 nan 8.230 nan 0.000 0.451 207 Q N 0.023 119.808 119.800 -0.026 0.000 2.331 207 Q HA 0.121 4.457 4.340 -0.006 0.000 0.203 207 Q C 0.555 176.546 176.000 -0.015 0.000 0.944 207 Q CA 0.425 56.216 55.803 -0.020 0.000 0.892 207 Q CB 0.096 28.822 28.738 -0.019 0.000 0.983 207 Q HN 0.393 nan 8.270 nan 0.000 0.482 208 I N 2.140 122.703 120.570 -0.012 0.000 2.662 208 I HA -0.068 4.098 4.170 -0.006 0.000 0.285 208 I C -1.462 174.649 176.117 -0.010 0.000 1.161 208 I CA -1.048 60.247 61.300 -0.007 0.000 1.415 208 I CB 0.753 38.753 38.000 0.001 0.000 1.385 208 I HN 0.100 nan 8.210 nan 0.000 0.552 209 P HA -0.146 nan 4.420 nan 0.000 0.214 209 P C -0.241 177.048 177.300 -0.018 0.000 1.163 209 P CA 1.246 64.336 63.100 -0.016 0.000 0.883 209 P CB 0.135 31.825 31.700 -0.017 0.000 0.788 210 E N -0.412 119.776 120.200 -0.020 0.000 2.290 210 E HA 0.057 4.404 4.350 -0.006 0.000 0.277 210 E C 1.323 177.911 176.600 -0.021 0.000 1.035 210 E CA -0.383 56.001 56.400 -0.028 0.000 0.873 210 E CB 0.959 30.639 29.700 -0.034 0.000 1.029 210 E HN -0.047 nan 8.360 nan 0.000 0.419 211 V N 1.578 121.476 119.914 -0.027 0.000 2.407 211 V HA -0.275 3.841 4.120 -0.006 0.000 0.248 211 V C 1.988 178.081 176.094 -0.002 0.000 1.055 211 V CA 1.919 64.212 62.300 -0.012 0.000 1.049 211 V CB -0.864 30.948 31.823 -0.018 0.000 0.662 211 V HN 0.735 nan 8.190 nan 0.000 0.455 212 A N 0.575 123.383 122.820 -0.021 0.000 1.908 212 A HA -0.171 4.145 4.320 -0.006 0.000 0.218 212 A C 2.244 179.846 177.584 0.030 0.000 1.181 212 A CA 2.178 54.213 52.037 -0.004 0.000 0.627 212 A CB -0.709 18.272 19.000 -0.033 0.000 0.818 212 A HN 0.645 nan 8.150 nan 0.000 0.445 213 E N -0.871 119.335 120.200 0.010 0.000 2.152 213 E HA -0.087 4.260 4.350 -0.006 0.000 0.192 213 E C 2.351 178.995 176.600 0.073 0.000 0.983 213 E CA 0.910 57.327 56.400 0.029 0.000 0.818 213 E CB -0.769 28.923 29.700 -0.014 0.000 0.758 213 E HN 0.738 nan 8.360 nan 0.000 0.467 214 S N 0.225 115.949 115.700 0.041 0.000 2.356 214 S HA -0.168 4.299 4.470 -0.006 0.000 0.223 214 S C 2.236 176.861 174.600 0.043 0.000 1.032 214 S CA 1.293 59.513 58.200 0.033 0.000 1.005 214 S CB -0.480 62.729 63.200 0.016 0.000 0.867 214 S HN 0.513 nan 8.310 nan 0.000 0.449 215 A N 0.510 123.363 122.820 0.054 0.000 1.883 215 A HA -0.166 4.150 4.320 -0.006 0.000 0.217 215 A C 1.915 179.537 177.584 0.063 0.000 1.186 215 A CA 2.286 54.356 52.037 0.056 0.000 0.624 215 A CB -1.435 17.604 19.000 0.063 0.000 0.822 215 A HN 0.848 nan 8.150 nan 0.000 0.444 216 H N -0.664 118.406 119.070 -0.000 0.000 2.319 216 H HA -0.169 4.385 4.556 -0.004 0.000 0.299 216 H C 2.234 177.560 175.328 -0.004 0.000 1.092 216 H CA 2.198 58.245 56.048 -0.002 0.000 1.302 216 H CB -0.051 29.708 29.762 -0.006 0.000 1.373 216 H HN 0.341 nan 8.280 nan 0.000 0.497 217 R N 0.680 121.220 120.500 0.066 0.000 2.091 217 R HA -0.091 4.246 4.340 -0.006 0.000 0.238 217 R C 2.390 178.651 176.300 -0.065 0.000 1.136 217 R CA 1.816 57.915 56.100 -0.002 0.000 0.959 217 R CB -0.886 29.440 30.300 0.044 0.000 0.856 217 R HN 0.510 nan 8.270 nan 0.000 0.437 218 L N -0.148 121.048 121.223 -0.046 0.000 2.012 218 L HA -0.203 4.133 4.340 -0.006 0.000 0.210 218 L C 2.270 179.101 176.870 -0.066 0.000 1.073 218 L CA 1.081 55.891 54.840 -0.049 0.000 0.748 218 L CB -0.565 41.475 42.059 -0.031 0.000 0.891 218 L HN 0.179 nan 8.230 nan 0.000 0.431 219 I N 0.103 120.621 120.570 -0.088 0.000 2.127 219 I HA -0.327 3.840 4.170 -0.006 0.000 0.241 219 I C 2.555 178.594 176.117 -0.131 0.000 1.075 219 I CA 1.670 62.910 61.300 -0.101 0.000 1.334 219 I CB -1.106 36.825 38.000 -0.114 0.000 1.040 219 I HN 0.446 nan 8.210 nan 0.000 0.405 220 E N 1.083 121.152 120.200 -0.217 0.000 2.070 220 E HA -0.244 4.103 4.350 -0.006 0.000 0.197 220 E C 2.432 178.977 176.600 -0.092 0.000 1.004 220 E CA 1.443 57.736 56.400 -0.178 0.000 0.805 220 E CB -0.059 29.508 29.700 -0.221 0.000 0.744 220 E HN 0.436 nan 8.360 nan 0.000 0.451 221 L N 0.249 121.427 121.223 -0.075 0.000 2.017 221 L HA -0.173 4.164 4.340 -0.006 0.000 0.208 221 L C 2.734 179.582 176.870 -0.037 0.000 1.073 221 L CA 1.097 55.909 54.840 -0.046 0.000 0.745 221 L CB -0.587 41.448 42.059 -0.040 0.000 0.894 221 L HN 0.210 nan 8.230 nan 0.000 0.432 222 A N 0.328 123.126 122.820 -0.037 0.000 1.927 222 A HA -0.231 4.086 4.320 -0.006 0.000 0.220 222 A C 2.258 179.827 177.584 -0.025 0.000 1.185 222 A CA 1.945 53.968 52.037 -0.024 0.000 0.639 222 A CB -0.874 18.114 19.000 -0.020 0.000 0.820 222 A HN 0.398 nan 8.150 nan 0.000 0.451 223 L N -1.519 119.683 121.223 -0.036 0.000 2.072 223 L HA -0.122 4.214 4.340 -0.006 0.000 0.205 223 L C 2.783 179.638 176.870 -0.025 0.000 1.079 223 L CA 0.887 55.708 54.840 -0.031 0.000 0.752 223 L CB -0.530 41.504 42.059 -0.041 0.000 0.906 223 L HN 0.262 nan 8.230 nan 0.000 0.436 224 R N 0.503 120.986 120.500 -0.029 0.000 2.127 224 R HA -0.096 4.240 4.340 -0.006 0.000 0.238 224 R C 2.039 178.330 176.300 -0.017 0.000 1.134 224 R CA 1.335 57.422 56.100 -0.021 0.000 0.975 224 R CB -1.012 29.276 30.300 -0.021 0.000 0.865 224 R HN 0.411 nan 8.270 nan 0.000 0.447 225 G N -0.840 107.949 108.800 -0.017 0.000 2.956 225 G HA2 0.152 4.109 3.960 -0.006 0.000 0.207 225 G HA3 0.152 4.109 3.960 -0.006 0.000 0.207 225 G C 0.858 175.751 174.900 -0.013 0.000 1.162 225 G CA 0.636 45.728 45.100 -0.014 0.000 0.796 225 G HN 0.487 nan 8.290 nan 0.000 0.527 226 G N -1.383 107.409 108.800 -0.013 0.000 2.211 226 G HA2 0.154 4.110 3.960 -0.006 0.000 0.201 226 G HA3 0.154 4.110 3.960 -0.006 0.000 0.201 226 G C 1.038 175.932 174.900 -0.010 0.000 0.997 226 G CA 0.545 45.637 45.100 -0.012 0.000 0.652 226 G HN 1.704 nan 8.290 nan 0.000 0.500 227 G N 0.944 109.738 108.800 -0.011 0.000 2.424 227 G HA2 -0.094 3.863 3.960 -0.006 0.000 0.294 227 G HA3 -0.094 3.863 3.960 -0.006 0.000 0.294 227 G C -0.357 174.541 174.900 -0.004 0.000 0.939 227 G CA 0.768 45.863 45.100 -0.008 0.000 1.143 227 G HN 0.796 nan 8.290 nan 0.000 0.507 228 P HA 0.013 nan 4.420 nan 0.000 0.225 228 P C 0.481 177.783 177.300 0.004 0.000 1.148 228 P CA 1.487 64.585 63.100 -0.002 0.000 0.779 228 P CB 0.553 32.249 31.700 -0.006 0.000 0.780 229 D N -1.413 118.991 120.400 0.007 0.000 2.579 229 D HA 0.196 4.833 4.640 -0.006 0.000 0.257 229 D C -0.855 175.453 176.300 0.013 0.000 1.176 229 D CA -0.967 53.040 54.000 0.013 0.000 0.914 229 D CB 0.716 41.527 40.800 0.019 0.000 1.431 229 D HN -0.219 nan 8.370 nan 0.000 0.454 230 N N -0.097 118.614 118.700 0.017 0.000 2.356 230 N HA 0.209 4.946 4.740 -0.006 0.000 0.252 230 N C -0.705 174.818 175.510 0.022 0.000 1.241 230 N CA 0.087 53.148 53.050 0.018 0.000 0.861 230 N CB 1.003 39.503 38.487 0.022 0.000 1.075 230 N HN 0.110 nan 8.380 nan 0.000 0.461 231 V N 2.460 122.385 119.914 0.018 0.000 2.487 231 V HA 0.489 4.606 4.120 -0.006 0.000 0.298 231 V C -0.776 175.334 176.094 0.025 0.000 1.028 231 V CA -0.061 62.252 62.300 0.021 0.000 0.860 231 V CB 1.788 33.616 31.823 0.009 0.000 0.991 231 V HN 0.690 nan 8.190 nan 0.000 0.427 232 T N 6.083 120.660 114.554 0.038 0.000 2.916 232 T HA 0.711 5.057 4.350 -0.006 0.000 0.298 232 T C -0.798 173.936 174.700 0.057 0.000 1.031 232 T CA -0.405 61.722 62.100 0.045 0.000 0.993 232 T CB 1.641 70.540 68.868 0.052 0.000 1.045 232 T HN 1.165 nan 8.240 nan 0.000 0.454 233 V N -0.163 119.786 119.914 0.058 0.000 3.007 233 V HA 0.964 5.081 4.120 -0.006 0.000 0.311 233 V C -1.216 174.930 176.094 0.086 0.000 1.120 233 V CA -0.947 61.396 62.300 0.072 0.000 0.980 233 V CB 2.030 33.885 31.823 0.053 0.000 1.033 233 V HN 0.641 nan 8.190 nan 0.000 0.429 234 V N 3.246 123.226 119.914 0.109 0.000 2.483 234 V HA 0.597 4.714 4.120 -0.006 0.000 0.297 234 V C -0.289 175.892 176.094 0.145 0.000 1.027 234 V CA -0.444 61.934 62.300 0.131 0.000 0.855 234 V CB 1.658 33.568 31.823 0.144 0.000 0.995 234 V HN 0.836 nan 8.190 nan 0.000 0.424 235 V N 3.576 123.570 119.914 0.134 0.000 2.483 235 V HA 0.948 5.065 4.120 -0.006 0.000 0.295 235 V C 0.255 176.442 176.094 0.155 0.000 1.035 235 V CA -0.330 62.048 62.300 0.130 0.000 0.896 235 V CB 1.609 33.479 31.823 0.079 0.000 0.986 235 V HN 1.047 nan 8.190 nan 0.000 0.447 236 A N 3.182 126.113 122.820 0.185 0.000 2.520 236 A HA 0.767 5.084 4.320 -0.006 0.000 0.298 236 A C -1.474 176.205 177.584 0.159 0.000 1.051 236 A CA -0.677 51.465 52.037 0.177 0.000 0.690 236 A CB 1.590 20.717 19.000 0.212 0.000 1.281 236 A HN 0.696 nan 8.150 nan 0.000 0.402 237 D N 0.798 121.242 120.400 0.074 0.000 2.252 237 D HA 0.510 5.147 4.640 -0.006 0.000 0.245 237 D C -0.685 175.617 176.300 0.003 0.000 1.009 237 D CA -0.114 53.914 54.000 0.048 0.000 0.870 237 D CB 2.188 42.993 40.800 0.009 0.000 1.251 237 D HN 0.199 nan 8.370 nan 0.000 0.460 238 V N 2.038 121.972 119.914 0.033 0.000 2.370 238 V HA 0.417 4.533 4.120 -0.006 0.000 0.279 238 V C 0.192 176.290 176.094 0.006 0.000 1.029 238 V CA -0.551 61.746 62.300 -0.006 0.000 0.870 238 V CB 1.626 33.509 31.823 0.100 0.000 0.984 238 V HN 0.306 nan 8.190 nan 0.000 0.451 239 V N 4.368 124.274 119.914 -0.013 0.000 3.040 239 V HA 0.609 4.726 4.120 -0.006 0.000 0.312 239 V C -0.516 175.577 176.094 -0.002 0.000 1.115 239 V CA -0.627 61.670 62.300 -0.006 0.000 0.998 239 V CB 2.465 34.279 31.823 -0.015 0.000 1.042 239 V HN 0.881 nan 8.190 nan 0.000 0.433 240 D N 0.000 120.401 120.400 0.002 0.000 6.856 240 D HA 0.000 4.637 4.640 -0.006 0.000 0.175 240 D CA 0.000 54.002 54.000 0.003 0.000 0.868 240 D CB 0.000 40.803 40.800 0.005 0.000 0.688 240 D HN 0.000 nan 8.370 nan 0.000 0.683