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 2c7c_1_H DATA FIRST_RESID 3 DATA SEQUENCE AKDVKFGNDA RVKMLRGVNV LADAVKVTLG PKGRNVVLDK SFGAPTITKD DATA SEQUENCE GVSVAREIEL EDKFENMGAQ MVKEVASKAN DAAGDGTTTA TVLAQAIITE DATA SEQUENCE GLKAVAAGMN PMDLKRGIDK AVTAAVEELK ALSVPCSDSK AIAQVGTISA DATA SEQUENCE NSDETVGKLI AEAMDKVGKE GVITVEDGTG LQDELDVVEG MQFDRGYLSP DATA SEQUENCE YFINKPETGA VELESPFILL ADKKISNIRE MLPVLEAVAK AGKPLLIIAE DATA SEQUENCE DVEGEALATL VVNTMRGIVK VAAVKAPGFG DRRKAMLQDI ATLTGGTVIS DATA SEQUENCE EEIGMELEKA TLEDLGQAKR VVINKDTTTI IDGVGEEAAI QGRVAQIRQQ DATA SEQUENCE IEEATSDYDR EKLQERVAKL AGGVAVIKVG AATEVEMKEK KARVEDALHA DATA SEQUENCE TRAAVEEGVV AGGGVALIRV ASKLADLRGQ NEDQNVGIKV ALRAMEAPLR DATA SEQUENCE QIVLNCGEEP SVVANTVKGG DGNYGYNAAT EEYGNMIDMG ILDPTKVTRS DATA SEQUENCE ALQYAASVAG LMITTECMVT DLP 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.587 177.584 0.005 0.000 1.274 3 A CA 0.000 52.040 52.037 0.005 0.000 0.836 3 A CB 0.000 19.006 19.000 0.010 0.000 0.831 4 K N 1.530 121.938 120.400 0.013 0.000 2.110 4 K HA 0.539 4.859 4.320 0.000 0.000 0.263 4 K C -0.747 175.889 176.600 0.061 0.000 0.975 4 K CA -0.553 55.743 56.287 0.016 0.000 0.895 4 K CB 1.681 34.185 32.500 0.007 0.000 1.060 4 K HN 0.787 nan 8.250 nan 0.000 0.448 5 D N 0.876 121.335 120.400 0.098 0.000 2.253 5 D HA 0.405 5.045 4.640 0.000 0.000 0.249 5 D C -1.080 175.405 176.300 0.308 0.000 1.049 5 D CA -0.546 53.593 54.000 0.233 0.000 0.929 5 D CB 1.158 42.184 40.800 0.376 0.000 1.176 5 D HN 0.053 nan 8.370 nan 0.000 0.437 6 V N 3.165 123.269 119.914 0.316 0.000 2.711 6 V HA 0.391 4.511 4.120 0.000 0.000 0.304 6 V C -0.567 175.618 176.094 0.151 0.000 1.097 6 V CA -0.823 61.597 62.300 0.199 0.000 0.906 6 V CB 2.100 33.962 31.823 0.065 0.000 1.015 6 V HN 0.472 nan 8.190 nan 0.000 0.427 7 K N 4.191 124.637 120.400 0.077 0.000 2.507 7 K HA 0.684 5.004 4.320 0.000 0.000 0.251 7 K C -1.569 175.022 176.600 -0.015 0.000 0.943 7 K CA -0.482 55.812 56.287 0.012 0.000 0.794 7 K CB 2.524 34.840 32.500 -0.306 0.000 1.188 7 K HN 0.412 nan 8.250 nan 0.000 0.428 8 F N 0.407 120.352 119.950 -0.008 0.000 2.457 8 F HA 0.476 5.003 4.527 -0.001 0.000 0.330 8 F C 1.631 177.427 175.800 -0.007 0.000 1.069 8 F CA 0.631 58.634 58.000 0.005 0.000 1.009 8 F CB 1.081 40.082 39.000 0.002 0.000 1.276 8 F HN 0.829 nan 8.300 nan 0.000 0.492 9 G N 1.486 110.411 108.800 0.209 0.000 2.620 9 G HA2 -0.523 3.437 3.960 0.000 0.000 0.315 9 G HA3 -0.523 3.437 3.960 0.000 0.000 0.315 9 G C 1.125 176.069 174.900 0.072 0.000 1.179 9 G CA 1.194 46.371 45.100 0.129 0.000 0.971 9 G HN 0.841 nan 8.290 nan 0.000 0.544 10 N N 0.863 119.593 118.700 0.051 0.000 2.028 10 N HA -0.059 4.681 4.740 0.000 0.000 0.194 10 N C 1.829 177.348 175.510 0.015 0.000 1.050 10 N CA 2.488 55.553 53.050 0.025 0.000 0.848 10 N CB -0.364 38.130 38.487 0.011 0.000 1.038 10 N HN 0.527 nan 8.380 nan 0.000 0.423 11 D N -0.051 120.353 120.400 0.007 0.000 2.149 11 D HA -0.101 4.539 4.640 0.000 0.000 0.198 11 D C 1.870 178.140 176.300 -0.050 0.000 0.990 11 D CA 1.327 55.302 54.000 -0.042 0.000 0.839 11 D CB -0.646 40.114 40.800 -0.068 0.000 0.948 11 D HN 0.483 nan 8.370 nan 0.000 0.460 12 A N 0.886 123.706 122.820 0.000 0.000 1.849 12 A HA -0.242 4.078 4.320 0.000 0.000 0.217 12 A C 2.186 179.792 177.584 0.037 0.000 1.202 12 A CA 1.808 53.865 52.037 0.033 0.000 0.629 12 A CB -0.617 18.411 19.000 0.048 0.000 0.834 12 A HN 0.116 nan 8.150 nan 0.000 0.447 13 R N -0.938 119.581 120.500 0.031 0.000 2.096 13 R HA -0.055 4.285 4.340 0.000 0.000 0.235 13 R C 2.041 178.354 176.300 0.022 0.000 1.127 13 R CA 1.257 57.374 56.100 0.029 0.000 0.968 13 R CB -0.493 29.823 30.300 0.027 0.000 0.861 13 R HN 0.399 nan 8.270 nan 0.000 0.440 14 V N 1.354 121.274 119.914 0.010 0.000 2.332 14 V HA -0.269 3.852 4.120 0.000 0.000 0.248 14 V C 2.076 178.175 176.094 0.010 0.000 1.055 14 V CA 1.683 63.985 62.300 0.003 0.000 1.038 14 V CB -0.295 31.521 31.823 -0.012 0.000 0.651 14 V HN 0.212 nan 8.190 nan 0.000 0.450 15 K N -0.630 119.777 120.400 0.012 0.000 2.103 15 K HA 0.065 4.385 4.320 0.000 0.000 0.204 15 K C 2.053 178.694 176.600 0.068 0.000 1.052 15 K CA 1.174 57.489 56.287 0.047 0.000 0.945 15 K CB -0.512 32.034 32.500 0.076 0.000 0.722 15 K HN 0.420 nan 8.250 nan 0.000 0.443 16 M N 0.348 119.986 119.600 0.063 0.000 2.108 16 M HA -0.187 4.293 4.480 0.000 0.000 0.261 16 M C 2.104 178.427 176.300 0.038 0.000 1.066 16 M CA 1.205 56.537 55.300 0.053 0.000 1.107 16 M CB -0.435 32.193 32.600 0.047 0.000 1.356 16 M HN 0.029 nan 8.290 nan 0.000 0.406 17 L N 0.760 122.001 121.223 0.031 0.000 1.970 17 L HA -0.215 4.125 4.340 0.000 0.000 0.212 17 L C 2.461 179.345 176.870 0.023 0.000 1.071 17 L CA 1.994 56.849 54.840 0.024 0.000 0.751 17 L CB -0.663 41.408 42.059 0.019 0.000 0.889 17 L HN 0.173 nan 8.230 nan 0.000 0.432 18 R N -0.580 119.934 120.500 0.024 0.000 2.105 18 R HA -0.129 4.211 4.340 0.000 0.000 0.239 18 R C 2.176 178.492 176.300 0.027 0.000 1.135 18 R CA 1.136 57.250 56.100 0.024 0.000 0.967 18 R CB -1.031 29.283 30.300 0.024 0.000 0.861 18 R HN 0.631 nan 8.270 nan 0.000 0.442 19 G N 0.609 109.430 108.800 0.034 0.000 2.446 19 G HA2 -0.260 3.700 3.960 0.000 0.000 0.217 19 G HA3 -0.260 3.700 3.960 0.000 0.000 0.217 19 G C 1.414 176.327 174.900 0.023 0.000 1.168 19 G CA 0.762 45.882 45.100 0.032 0.000 0.771 19 G HN 0.262 nan 8.290 nan 0.000 0.551 20 V N 1.136 121.064 119.914 0.023 0.000 2.358 20 V HA -0.173 3.947 4.120 0.000 0.000 0.246 20 V C 2.425 178.528 176.094 0.015 0.000 1.047 20 V CA 2.653 64.963 62.300 0.018 0.000 1.035 20 V CB -0.658 31.177 31.823 0.020 0.000 0.658 20 V HN 0.508 nan 8.190 nan 0.000 0.452 21 N N -0.284 118.425 118.700 0.016 0.000 2.069 21 N HA -0.171 4.569 4.740 0.000 0.000 0.191 21 N C 1.724 177.241 175.510 0.011 0.000 1.031 21 N CA 1.718 54.776 53.050 0.013 0.000 0.852 21 N CB -0.318 38.176 38.487 0.013 0.000 1.018 21 N HN 0.396 nan 8.380 nan 0.000 0.423 22 V N 1.438 121.359 119.914 0.011 0.000 2.490 22 V HA -0.163 3.957 4.120 0.000 0.000 0.250 22 V C 2.111 178.208 176.094 0.006 0.000 1.061 22 V CA 1.139 63.444 62.300 0.009 0.000 1.064 22 V CB -0.475 31.355 31.823 0.011 0.000 0.670 22 V HN 0.396 nan 8.190 nan 0.000 0.461 23 L N 0.229 121.455 121.223 0.006 0.000 2.049 23 L HA 0.005 4.345 4.340 0.000 0.000 0.203 23 L C 2.533 179.404 176.870 0.002 0.000 1.074 23 L CA 2.529 57.370 54.840 0.002 0.000 0.749 23 L CB -1.248 40.812 42.059 0.002 0.000 0.907 23 L HN 0.320 nan 8.230 nan 0.000 0.439 24 A N -0.412 122.411 122.820 0.005 0.000 1.873 24 A HA -0.197 4.123 4.320 0.000 0.000 0.215 24 A C 1.846 179.433 177.584 0.005 0.000 1.186 24 A CA 1.669 53.709 52.037 0.006 0.000 0.616 24 A CB -0.610 18.395 19.000 0.009 0.000 0.823 24 A HN 0.494 nan 8.150 nan 0.000 0.442 25 D N -0.061 120.343 120.400 0.006 0.000 2.310 25 D HA 0.055 4.695 4.640 0.000 0.000 0.212 25 D C 2.012 178.314 176.300 0.003 0.000 0.965 25 D CA 1.122 55.125 54.000 0.005 0.000 0.879 25 D CB -0.121 40.682 40.800 0.006 0.000 0.921 25 D HN 0.449 nan 8.370 nan 0.000 0.510 26 A N 0.536 123.357 122.820 0.002 0.000 1.831 26 A HA -0.064 4.256 4.320 0.000 0.000 0.213 26 A C 2.321 179.904 177.584 -0.001 0.000 1.223 26 A CA 0.721 52.757 52.037 -0.000 0.000 0.604 26 A CB -0.963 18.037 19.000 -0.001 0.000 0.878 26 A HN 0.119 nan 8.150 nan 0.000 0.450 27 V N 1.883 121.796 119.914 -0.002 0.000 2.568 27 V HA -0.274 3.846 4.120 0.000 0.000 0.253 27 V C 2.552 178.644 176.094 -0.003 0.000 1.072 27 V CA 2.697 64.994 62.300 -0.004 0.000 1.084 27 V CB -0.846 30.974 31.823 -0.006 0.000 0.676 27 V HN 0.810 nan 8.190 nan 0.000 0.469 28 K N 0.608 121.008 120.400 -0.000 0.000 2.211 28 K HA -0.152 4.168 4.320 0.000 0.000 0.204 28 K C 1.752 178.351 176.600 -0.001 0.000 1.047 28 K CA 2.027 58.314 56.287 0.001 0.000 0.935 28 K CB -0.980 31.522 32.500 0.004 0.000 0.728 28 K HN 0.553 nan 8.250 nan 0.000 0.452 29 V N 0.258 120.171 119.914 -0.002 0.000 3.305 29 V HA -0.102 4.018 4.120 0.000 0.000 0.269 29 V C 2.078 178.169 176.094 -0.005 0.000 1.157 29 V CA 1.671 63.969 62.300 -0.003 0.000 1.157 29 V CB -0.972 30.849 31.823 -0.002 0.000 0.772 29 V HN 0.564 nan 8.190 nan 0.000 0.498 30 T N -2.798 111.753 114.554 -0.006 0.000 3.100 30 T HA 0.115 4.465 4.350 0.000 0.000 0.253 30 T C 1.573 176.267 174.700 -0.010 0.000 1.118 30 T CA 0.905 63.000 62.100 -0.009 0.000 1.058 30 T CB 0.105 68.968 68.868 -0.009 0.000 0.953 30 T HN 0.411 nan 8.240 nan 0.000 0.515 31 L N 1.961 123.179 121.223 -0.008 0.000 2.313 31 L HA 0.432 4.772 4.340 0.000 0.000 0.214 31 L C 1.416 178.278 176.870 -0.013 0.000 1.119 31 L CA 0.390 55.225 54.840 -0.008 0.000 0.809 31 L CB -0.879 41.178 42.059 -0.003 0.000 0.933 31 L HN 0.401 nan 8.230 nan 0.000 0.449 32 G N -0.769 108.022 108.800 -0.015 0.000 2.527 32 G HA2 0.272 4.232 3.960 0.000 0.000 0.248 32 G HA3 0.272 4.232 3.960 0.000 0.000 0.248 32 G C -1.705 173.177 174.900 -0.029 0.000 1.231 32 G CA -0.460 44.627 45.100 -0.023 0.000 0.838 32 G HN 0.164 nan 8.290 nan 0.000 0.570 33 P HA -0.049 nan 4.420 nan 0.000 0.216 33 P C 0.649 177.924 177.300 -0.041 0.000 1.153 33 P CA 1.032 64.105 63.100 -0.045 0.000 0.844 33 P CB 0.329 31.991 31.700 -0.063 0.000 0.787 34 K N 1.175 121.549 120.400 -0.044 0.000 3.006 34 K HA 0.284 4.604 4.320 0.000 0.000 0.262 34 K C 0.923 177.508 176.600 -0.025 0.000 1.289 34 K CA -0.420 55.846 56.287 -0.035 0.000 1.245 34 K CB -0.368 32.108 32.500 -0.039 0.000 1.614 34 K HN 0.078 nan 8.250 nan 0.000 0.322 35 G N 1.325 110.111 108.800 -0.022 0.000 2.491 35 G HA2 0.009 3.970 3.960 0.000 0.000 0.238 35 G HA3 0.009 3.970 3.960 0.000 0.000 0.238 35 G C 0.106 174.998 174.900 -0.013 0.000 1.277 35 G CA -0.599 44.491 45.100 -0.017 0.000 0.851 35 G HN 0.307 nan 8.290 nan 0.000 0.573 36 R N 1.018 121.511 120.500 -0.010 0.000 2.490 36 R HA 0.133 4.473 4.340 0.000 0.000 0.278 36 R C 0.499 176.794 176.300 -0.008 0.000 1.069 36 R CA -0.504 55.591 56.100 -0.008 0.000 1.080 36 R CB 0.404 30.701 30.300 -0.006 0.000 1.030 36 R HN 0.686 nan 8.270 nan 0.000 0.491 37 N N 0.744 119.440 118.700 -0.007 0.000 2.503 37 N HA 0.235 4.975 4.740 0.000 0.000 0.267 37 N C -0.378 175.129 175.510 -0.005 0.000 1.214 37 N CA -0.329 52.718 53.050 -0.006 0.000 0.959 37 N CB 1.206 39.690 38.487 -0.005 0.000 1.142 37 N HN 0.093 nan 8.380 nan 0.000 0.455 38 V N 0.792 120.703 119.914 -0.005 0.000 2.876 38 V HA 0.287 4.407 4.120 0.000 0.000 0.312 38 V C -0.133 175.958 176.094 -0.004 0.000 1.085 38 V CA -0.946 61.351 62.300 -0.005 0.000 0.945 38 V CB 2.313 34.133 31.823 -0.005 0.000 1.017 38 V HN 0.383 nan 8.190 nan 0.000 0.428 39 V N 5.132 125.043 119.914 -0.005 0.000 2.350 39 V HA 0.418 4.538 4.120 0.000 0.000 0.276 39 V C -0.539 175.551 176.094 -0.006 0.000 1.028 39 V CA -0.514 61.783 62.300 -0.005 0.000 0.860 39 V CB 1.263 33.083 31.823 -0.005 0.000 0.990 39 V HN 0.479 nan 8.190 nan 0.000 0.453 40 L N 3.924 125.144 121.223 -0.005 0.000 2.295 40 L HA 0.439 4.779 4.340 0.000 0.000 0.281 40 L C 0.105 176.971 176.870 -0.007 0.000 1.018 40 L CA -0.342 54.494 54.840 -0.006 0.000 0.841 40 L CB 0.864 42.921 42.059 -0.004 0.000 1.218 40 L HN 0.658 nan 8.230 nan 0.000 0.424 41 D N 3.690 124.081 120.400 -0.014 0.000 2.478 41 D HA 0.076 4.716 4.640 0.000 0.000 0.234 41 D C -0.219 176.065 176.300 -0.027 0.000 1.154 41 D CA 1.032 55.017 54.000 -0.024 0.000 0.874 41 D CB 0.714 41.495 40.800 -0.033 0.000 1.198 41 D HN 0.433 nan 8.370 nan 0.000 0.455 42 K N 1.371 121.748 120.400 -0.040 0.000 2.636 42 K HA 0.146 4.466 4.320 0.000 0.000 0.286 42 K C 0.147 176.682 176.600 -0.108 0.000 1.100 42 K CA -0.342 55.918 56.287 -0.044 0.000 0.991 42 K CB 0.779 33.301 32.500 0.037 0.000 1.323 42 K HN 0.254 nan 8.250 nan 0.000 0.478 43 S N 2.334 117.854 115.700 -0.300 0.000 2.507 43 S HA -0.056 4.414 4.470 0.000 0.000 0.235 43 S C 0.940 175.328 174.600 -0.352 0.000 0.988 43 S CA 0.794 58.761 58.200 -0.388 0.000 0.944 43 S CB -0.188 62.673 63.200 -0.564 0.000 0.762 43 S HN 0.506 nan 8.310 nan 0.000 0.526 44 F N 1.442 121.388 119.950 -0.008 0.000 2.773 44 F HA 0.387 4.914 4.527 0.001 0.000 0.304 44 F C 1.627 177.423 175.800 -0.007 0.000 1.129 44 F CA -0.095 57.901 58.000 -0.007 0.000 1.378 44 F CB 0.166 39.161 39.000 -0.008 0.000 1.095 44 F HN 0.333 nan 8.300 nan 0.000 0.565 45 G N -0.215 108.650 108.800 0.108 0.000 2.601 45 G HA2 0.413 4.373 3.960 0.000 0.000 0.080 45 G HA3 0.413 4.373 3.960 0.000 0.000 0.080 45 G C -1.269 173.650 174.900 0.033 0.000 1.046 45 G CA -0.294 44.847 45.100 0.068 0.000 1.143 45 G HN 0.189 nan 8.290 nan 0.000 0.507 46 A N 1.771 124.609 122.820 0.030 0.000 2.371 46 A HA 0.726 5.047 4.320 0.000 0.000 0.257 46 A C -1.518 176.077 177.584 0.018 0.000 1.089 46 A CA -0.512 51.535 52.037 0.017 0.000 0.794 46 A CB -0.232 18.777 19.000 0.015 0.000 1.029 46 A HN 0.559 nan 8.150 nan 0.000 0.488 47 P HA 0.148 nan 4.420 nan 0.000 0.272 47 P C -0.390 176.916 177.300 0.009 0.000 1.240 47 P CA -0.074 63.029 63.100 0.004 0.000 0.791 47 P CB 0.186 31.883 31.700 -0.006 0.000 0.978 48 T N 2.472 117.032 114.554 0.010 0.000 2.961 48 T HA 0.232 4.582 4.350 0.000 0.000 0.270 48 T C 0.697 175.399 174.700 0.003 0.000 0.926 48 T CA -0.037 62.068 62.100 0.009 0.000 1.112 48 T CB -1.179 67.695 68.868 0.011 0.000 0.926 48 T HN 0.202 nan 8.240 nan 0.000 0.612 49 I N 3.192 123.764 120.570 0.002 0.000 2.517 49 I HA 0.302 4.472 4.170 0.000 0.000 0.285 49 I C 0.927 177.043 176.117 -0.001 0.000 1.106 49 I CA 0.091 61.390 61.300 -0.000 0.000 1.402 49 I CB 0.434 38.433 38.000 -0.001 0.000 1.399 49 I HN 0.438 nan 8.210 nan 0.000 0.535 50 T N 4.414 118.966 114.554 -0.003 0.000 2.802 50 T HA 0.288 4.638 4.350 0.000 0.000 0.311 50 T C 0.223 174.919 174.700 -0.006 0.000 1.405 50 T CA -0.751 61.346 62.100 -0.005 0.000 1.016 50 T CB 1.622 70.487 68.868 -0.005 0.000 1.352 50 T HN 0.637 nan 8.240 nan 0.000 0.498 51 K N 0.710 121.105 120.400 -0.008 0.000 2.404 51 K HA 0.141 4.462 4.320 0.000 0.000 0.194 51 K C -0.122 176.472 176.600 -0.010 0.000 1.023 51 K CA -0.107 56.175 56.287 -0.009 0.000 1.094 51 K CB 0.174 32.668 32.500 -0.010 0.000 0.841 51 K HN 0.447 nan 8.250 nan 0.000 0.523 52 D N 0.258 120.652 120.400 -0.010 0.000 2.339 52 D HA 0.032 4.672 4.640 0.000 0.000 0.256 52 D C 1.127 177.420 176.300 -0.012 0.000 1.214 52 D CA -0.039 53.955 54.000 -0.011 0.000 0.877 52 D CB 1.302 42.096 40.800 -0.011 0.000 1.111 52 D HN 0.144 nan 8.370 nan 0.000 0.478 53 G N 2.566 111.358 108.800 -0.013 0.000 2.443 53 G HA2 -0.166 3.794 3.960 0.000 0.000 0.219 53 G HA3 -0.166 3.794 3.960 0.000 0.000 0.219 53 G C 1.458 176.348 174.900 -0.017 0.000 1.131 53 G CA 0.593 45.685 45.100 -0.013 0.000 0.775 53 G HN 0.483 nan 8.290 nan 0.000 0.547 54 V N 1.077 120.979 119.914 -0.019 0.000 2.307 54 V HA -0.170 3.950 4.120 0.000 0.000 0.245 54 V C 3.071 179.153 176.094 -0.020 0.000 1.045 54 V CA 2.170 64.456 62.300 -0.023 0.000 1.024 54 V CB -0.635 31.172 31.823 -0.026 0.000 0.651 54 V HN 0.354 nan 8.190 nan 0.000 0.449 55 S N 0.056 115.746 115.700 -0.016 0.000 2.359 55 S HA -0.190 4.280 4.470 0.000 0.000 0.224 55 S C 2.052 176.645 174.600 -0.011 0.000 1.035 55 S CA 1.634 59.827 58.200 -0.013 0.000 1.018 55 S CB -0.356 62.839 63.200 -0.009 0.000 0.876 55 S HN 0.357 nan 8.310 nan 0.000 0.448 56 V N 1.974 121.882 119.914 -0.011 0.000 2.287 56 V HA -0.244 3.876 4.120 0.000 0.000 0.248 56 V C 2.631 178.719 176.094 -0.011 0.000 1.053 56 V CA 1.837 64.132 62.300 -0.010 0.000 1.027 56 V CB -1.214 30.604 31.823 -0.009 0.000 0.646 56 V HN 0.556 nan 8.190 nan 0.000 0.447 57 A N 0.004 122.816 122.820 -0.014 0.000 1.873 57 A HA -0.243 4.077 4.320 0.000 0.000 0.215 57 A C 2.383 179.957 177.584 -0.017 0.000 1.186 57 A CA 1.954 53.982 52.037 -0.016 0.000 0.616 57 A CB -0.591 18.398 19.000 -0.020 0.000 0.823 57 A HN 0.500 nan 8.150 nan 0.000 0.442 58 R N -0.360 120.129 120.500 -0.019 0.000 2.105 58 R HA -0.220 4.120 4.340 0.000 0.000 0.239 58 R C 1.955 178.246 176.300 -0.016 0.000 1.135 58 R CA 1.966 58.055 56.100 -0.019 0.000 0.967 58 R CB -0.241 30.047 30.300 -0.020 0.000 0.861 58 R HN 0.478 nan 8.270 nan 0.000 0.442 59 E N 0.118 120.311 120.200 -0.012 0.000 2.204 59 E HA -0.052 4.298 4.350 0.000 0.000 0.194 59 E C -0.097 176.496 176.600 -0.011 0.000 0.989 59 E CA 0.521 56.914 56.400 -0.010 0.000 0.824 59 E CB 0.091 29.786 29.700 -0.009 0.000 0.756 59 E HN 0.217 nan 8.360 nan 0.000 0.477 60 I N 2.107 122.670 120.570 -0.011 0.000 2.496 60 I HA 0.204 4.374 4.170 0.000 0.000 0.285 60 I C 0.278 176.388 176.117 -0.012 0.000 1.080 60 I CA 0.103 61.397 61.300 -0.010 0.000 1.404 60 I CB 0.391 38.387 38.000 -0.007 0.000 1.403 60 I HN 0.109 nan 8.210 nan 0.000 0.539 61 E N 7.883 128.076 120.200 -0.011 0.000 2.451 61 E HA 0.391 4.741 4.350 0.000 0.000 0.295 61 E C -2.386 174.208 176.600 -0.010 0.000 0.966 61 E CA -0.473 55.920 56.400 -0.013 0.000 0.808 61 E CB 1.468 31.157 29.700 -0.018 0.000 1.242 61 E HN 0.497 nan 8.360 nan 0.000 0.412 62 L N 2.912 124.130 121.223 -0.008 0.000 2.341 62 L HA 0.460 4.800 4.340 0.000 0.000 0.267 62 L C 1.465 178.336 176.870 0.001 0.000 1.009 62 L CA -0.709 54.131 54.840 0.000 0.000 0.819 62 L CB 1.912 43.977 42.059 0.010 0.000 1.323 62 L HN 0.688 nan 8.230 nan 0.000 0.425 63 E N 0.245 120.450 120.200 0.007 0.000 2.285 63 E HA -0.116 4.234 4.350 0.000 0.000 0.194 63 E C 0.145 176.761 176.600 0.027 0.000 0.997 63 E CA 0.270 56.676 56.400 0.010 0.000 0.845 63 E CB 0.436 30.142 29.700 0.010 0.000 0.782 63 E HN 0.550 nan 8.360 nan 0.000 0.491 64 D N 1.014 121.441 120.400 0.045 0.000 2.352 64 D HA 0.001 4.641 4.640 0.000 0.000 0.245 64 D C 0.295 176.645 176.300 0.084 0.000 1.224 64 D CA 0.028 54.083 54.000 0.091 0.000 0.879 64 D CB 0.773 41.636 40.800 0.104 0.000 1.057 64 D HN 0.019 nan 8.370 nan 0.000 0.491 65 K N 2.693 123.119 120.400 0.042 0.000 2.439 65 K HA -0.056 4.264 4.320 0.000 0.000 0.197 65 K C 1.234 177.711 176.600 -0.205 0.000 1.041 65 K CA 0.680 56.904 56.287 -0.105 0.000 0.970 65 K CB 0.268 32.660 32.500 -0.181 0.000 0.773 65 K HN 0.429 nan 8.250 nan 0.000 0.479 66 F N 1.232 121.178 119.950 -0.006 0.000 2.219 66 F HA -0.007 4.520 4.527 -0.000 0.000 0.294 66 F C 2.042 177.839 175.800 -0.005 0.000 1.086 66 F CA 0.791 58.787 58.000 -0.007 0.000 1.330 66 F CB -0.039 38.959 39.000 -0.004 0.000 1.047 66 F HN -0.004 nan 8.300 nan 0.000 0.495 67 E N 0.123 120.435 120.200 0.186 0.000 2.150 67 E HA -0.207 4.143 4.350 0.000 0.000 0.193 67 E C 1.681 178.311 176.600 0.050 0.000 0.985 67 E CA 1.009 57.467 56.400 0.097 0.000 0.814 67 E CB -0.293 29.453 29.700 0.078 0.000 0.752 67 E HN 0.305 nan 8.360 nan 0.000 0.466 68 N N 0.994 119.711 118.700 0.029 0.000 2.069 68 N HA -0.184 4.556 4.740 0.000 0.000 0.191 68 N C 1.762 177.263 175.510 -0.015 0.000 1.031 68 N CA 1.446 54.494 53.050 -0.004 0.000 0.852 68 N CB -0.020 38.451 38.487 -0.028 0.000 1.018 68 N HN 0.061 nan 8.380 nan 0.000 0.423 69 M N -0.578 119.005 119.600 -0.028 0.000 2.073 69 M HA -0.134 4.346 4.480 0.000 0.000 0.258 69 M C 2.190 178.490 176.300 0.001 0.000 1.070 69 M CA 1.997 57.280 55.300 -0.028 0.000 1.103 69 M CB -0.854 31.720 32.600 -0.043 0.000 1.321 69 M HN 0.395 nan 8.290 nan 0.000 0.405 70 G N -0.464 108.351 108.800 0.025 0.000 2.421 70 G HA2 -0.162 3.798 3.960 0.000 0.000 0.216 70 G HA3 -0.162 3.798 3.960 0.000 0.000 0.216 70 G C 1.575 176.485 174.900 0.016 0.000 1.171 70 G CA 1.085 46.202 45.100 0.027 0.000 0.775 70 G HN 0.571 nan 8.290 nan 0.000 0.543 71 A N 0.005 122.833 122.820 0.013 0.000 1.883 71 A HA -0.091 4.229 4.320 0.000 0.000 0.217 71 A C 2.377 179.959 177.584 -0.003 0.000 1.186 71 A CA 1.928 53.968 52.037 0.005 0.000 0.624 71 A CB -0.373 18.629 19.000 0.005 0.000 0.822 71 A HN 0.371 nan 8.150 nan 0.000 0.444 72 Q N -1.099 118.696 119.800 -0.008 0.000 2.172 72 Q HA -0.055 4.285 4.340 0.000 0.000 0.200 72 Q C 2.160 178.153 176.000 -0.013 0.000 0.964 72 Q CA 1.247 57.041 55.803 -0.015 0.000 0.855 72 Q CB -0.286 28.439 28.738 -0.022 0.000 0.918 72 Q HN 0.773 nan 8.270 nan 0.000 0.444 73 M N -0.180 119.417 119.600 -0.006 0.000 2.065 73 M HA -0.184 4.297 4.480 0.000 0.000 0.259 73 M C 2.301 178.603 176.300 0.002 0.000 1.069 73 M CA 1.353 56.654 55.300 0.002 0.000 1.110 73 M CB -0.419 32.188 32.600 0.011 0.000 1.328 73 M HN -0.039 nan 8.290 nan 0.000 0.405 74 V N 0.393 120.308 119.914 0.003 0.000 2.407 74 V HA -0.277 3.844 4.120 0.000 0.000 0.248 74 V C 2.194 178.278 176.094 -0.016 0.000 1.055 74 V CA 1.780 64.081 62.300 0.001 0.000 1.049 74 V CB -0.717 31.109 31.823 0.006 0.000 0.662 74 V HN 0.440 nan 8.190 nan 0.000 0.455 75 K N -0.005 120.383 120.400 -0.020 0.000 2.002 75 K HA -0.255 4.065 4.320 0.000 0.000 0.209 75 K C 2.252 178.824 176.600 -0.046 0.000 1.048 75 K CA 1.970 58.238 56.287 -0.031 0.000 0.930 75 K CB -0.227 32.257 32.500 -0.027 0.000 0.714 75 K HN 0.569 nan 8.250 nan 0.000 0.438 76 E N 0.768 120.944 120.200 -0.039 0.000 2.051 76 E HA -0.185 4.165 4.350 0.000 0.000 0.192 76 E C 1.901 178.451 176.600 -0.082 0.000 0.991 76 E CA 1.252 57.623 56.400 -0.049 0.000 0.799 76 E CB 0.135 29.819 29.700 -0.027 0.000 0.748 76 E HN 0.028 nan 8.360 nan 0.000 0.449 77 V N 0.965 120.841 119.914 -0.063 0.000 2.358 77 V HA -0.201 3.919 4.120 0.000 0.000 0.246 77 V C 2.381 178.347 176.094 -0.214 0.000 1.047 77 V CA 1.705 63.948 62.300 -0.095 0.000 1.035 77 V CB -0.532 31.309 31.823 0.031 0.000 0.658 77 V HN 0.469 nan 8.190 nan 0.000 0.452 78 A N -1.079 121.664 122.820 -0.127 0.000 2.014 78 A HA -0.171 4.149 4.320 0.000 0.000 0.218 78 A C 2.503 179.993 177.584 -0.157 0.000 1.163 78 A CA 1.879 53.840 52.037 -0.126 0.000 0.652 78 A CB -0.526 18.436 19.000 -0.063 0.000 0.808 78 A HN 0.461 nan 8.150 nan 0.000 0.449 79 S N -0.261 115.350 115.700 -0.148 0.000 2.338 79 S HA -0.160 4.310 4.470 0.000 0.000 0.218 79 S C 2.025 176.498 174.600 -0.211 0.000 1.032 79 S CA 1.700 59.815 58.200 -0.141 0.000 0.999 79 S CB -0.283 62.858 63.200 -0.099 0.000 0.905 79 S HN 0.596 nan 8.310 nan 0.000 0.439 80 K N 0.889 121.110 120.400 -0.298 0.000 2.152 80 K HA -0.045 4.275 4.320 0.000 0.000 0.206 80 K C 2.272 178.481 176.600 -0.652 0.000 1.048 80 K CA 1.056 57.106 56.287 -0.395 0.000 0.933 80 K CB -0.347 31.933 32.500 -0.366 0.000 0.721 80 K HN 0.438 nan 8.250 nan 0.000 0.447 81 A N 1.897 124.188 122.820 -0.882 0.000 1.902 81 A HA -0.228 4.092 4.320 0.000 0.000 0.217 81 A C 2.030 179.512 177.584 -0.170 0.000 1.181 81 A CA 1.839 53.545 52.037 -0.551 0.000 0.623 81 A CB -0.485 18.312 19.000 -0.338 0.000 0.818 81 A HN 0.269 nan 8.150 nan 0.000 0.443 82 N N -0.021 118.588 118.700 -0.152 0.000 2.220 82 N HA -0.114 4.626 4.740 0.000 0.000 0.182 82 N C 1.090 176.563 175.510 -0.062 0.000 1.023 82 N CA 1.348 54.352 53.050 -0.077 0.000 0.856 82 N CB -0.386 38.057 38.487 -0.073 0.000 0.997 82 N HN 0.372 nan 8.380 nan 0.000 0.429 83 D N 0.528 120.879 120.400 -0.081 0.000 2.190 83 D HA -0.122 4.518 4.640 0.000 0.000 0.200 83 D C 1.181 177.469 176.300 -0.021 0.000 0.992 83 D CA 1.072 55.039 54.000 -0.055 0.000 0.854 83 D CB -0.058 40.705 40.800 -0.060 0.000 0.936 83 D HN 0.408 nan 8.370 nan 0.000 0.462 84 A N -0.345 122.473 122.820 -0.004 0.000 2.218 84 A HA 0.439 4.760 4.320 0.000 0.000 0.209 84 A C 1.752 179.365 177.584 0.050 0.000 1.168 84 A CA 1.037 53.099 52.037 0.042 0.000 0.804 84 A CB 0.423 19.480 19.000 0.095 0.000 0.834 84 A HN 0.211 nan 8.150 nan 0.000 0.482 85 A N -3.350 119.491 122.820 0.034 0.000 2.334 85 A HA 0.480 4.800 4.320 0.000 0.000 0.184 85 A C 1.523 179.127 177.584 0.033 0.000 1.594 85 A CA 0.927 52.989 52.037 0.041 0.000 1.162 85 A CB -0.140 18.891 19.000 0.051 0.000 1.426 85 A HN 1.757 nan 8.150 nan 0.000 0.494 86 G N -1.184 107.627 108.800 0.018 0.000 2.179 86 G HA2 -0.113 3.847 3.960 0.000 0.000 0.220 86 G HA3 -0.113 3.847 3.960 0.000 0.000 0.220 86 G C -0.188 174.716 174.900 0.006 0.000 0.990 86 G CA 0.523 45.634 45.100 0.018 0.000 0.646 86 G HN 0.737 nan 8.290 nan 0.000 0.517 87 D N -2.496 117.904 120.400 -0.000 0.000 2.879 87 D HA 0.467 5.107 4.640 0.000 0.000 0.346 87 D C 0.936 177.232 176.300 -0.007 0.000 1.390 87 D CA 0.495 54.492 54.000 -0.005 0.000 0.838 87 D CB 0.530 41.332 40.800 0.003 0.000 1.416 87 D HN 1.314 nan 8.370 nan 0.000 0.493 88 G N -0.282 108.515 108.800 -0.006 0.000 2.159 88 G HA2 -0.289 3.671 3.960 0.000 0.000 0.227 88 G HA3 -0.289 3.671 3.960 0.000 0.000 0.227 88 G C 0.960 175.854 174.900 -0.009 0.000 0.986 88 G CA 1.180 46.279 45.100 -0.001 0.000 0.651 88 G HN 0.473 nan 8.290 nan 0.000 0.523 89 T N 1.013 115.554 114.554 -0.022 0.000 2.592 89 T HA -0.225 4.126 4.350 0.000 0.000 0.267 89 T C 2.473 177.162 174.700 -0.018 0.000 1.060 89 T CA 2.600 64.682 62.100 -0.031 0.000 1.167 89 T CB -0.723 68.125 68.868 -0.034 0.000 0.863 89 T HN 0.496 nan 8.240 nan 0.000 0.431 90 T N 1.886 116.433 114.554 -0.012 0.000 2.746 90 T HA -0.106 4.244 4.350 0.000 0.000 0.267 90 T C 2.329 177.030 174.700 0.002 0.000 1.039 90 T CA 1.666 63.763 62.100 -0.006 0.000 1.142 90 T CB -0.810 68.055 68.868 -0.006 0.000 0.866 90 T HN 0.482 nan 8.240 nan 0.000 0.444 91 T N 2.249 116.806 114.554 0.005 0.000 2.720 91 T HA -0.079 4.271 4.350 0.000 0.000 0.268 91 T C 2.439 177.151 174.700 0.021 0.000 1.037 91 T CA 1.201 63.309 62.100 0.013 0.000 1.144 91 T CB -0.641 68.236 68.868 0.015 0.000 0.864 91 T HN 0.451 nan 8.240 nan 0.000 0.444 92 A N 1.586 124.420 122.820 0.022 0.000 1.883 92 A HA -0.162 4.158 4.320 0.000 0.000 0.217 92 A C 2.599 180.202 177.584 0.031 0.000 1.186 92 A CA 2.239 54.297 52.037 0.036 0.000 0.624 92 A CB -1.377 17.639 19.000 0.026 0.000 0.822 92 A HN 0.491 nan 8.150 nan 0.000 0.444 93 T N -0.484 114.079 114.554 0.015 0.000 2.746 93 T HA -0.098 4.252 4.350 0.000 0.000 0.267 93 T C 1.860 176.570 174.700 0.017 0.000 1.039 93 T CA 1.514 63.622 62.100 0.014 0.000 1.142 93 T CB -0.412 68.459 68.868 0.004 0.000 0.866 93 T HN 0.142 nan 8.240 nan 0.000 0.444 94 V N 1.380 121.303 119.914 0.015 0.000 2.427 94 V HA -0.087 4.033 4.120 0.000 0.000 0.248 94 V C 2.441 178.546 176.094 0.020 0.000 1.051 94 V CA 1.329 63.638 62.300 0.015 0.000 1.048 94 V CB -0.632 31.199 31.823 0.013 0.000 0.666 94 V HN 0.423 nan 8.190 nan 0.000 0.456 95 L N -0.115 121.123 121.223 0.024 0.000 2.027 95 L HA -0.139 4.201 4.340 0.000 0.000 0.206 95 L C 2.771 179.659 176.870 0.029 0.000 1.074 95 L CA 1.592 56.449 54.840 0.028 0.000 0.745 95 L CB -0.840 41.239 42.059 0.034 0.000 0.898 95 L HN 0.348 nan 8.230 nan 0.000 0.433 96 A N -0.290 122.550 122.820 0.033 0.000 1.865 96 A HA -0.336 3.984 4.320 0.000 0.000 0.217 96 A C 2.249 179.849 177.584 0.027 0.000 1.191 96 A CA 2.208 54.266 52.037 0.034 0.000 0.623 96 A CB -0.790 18.233 19.000 0.039 0.000 0.826 96 A HN 0.512 nan 8.150 nan 0.000 0.444 97 Q N -0.638 119.176 119.800 0.023 0.000 2.061 97 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 97 Q C 2.068 178.079 176.000 0.019 0.000 0.984 97 Q CA 1.947 57.761 55.803 0.019 0.000 0.846 97 Q CB -0.383 28.365 28.738 0.016 0.000 0.902 97 Q HN 0.603 nan 8.270 nan 0.000 0.421 98 A N 0.029 122.860 122.820 0.019 0.000 2.121 98 A HA -0.068 4.252 4.320 0.000 0.000 0.218 98 A C 1.809 179.404 177.584 0.018 0.000 1.154 98 A CA 0.958 53.006 52.037 0.018 0.000 0.679 98 A CB -0.402 18.609 19.000 0.018 0.000 0.795 98 A HN 0.498 nan 8.150 nan 0.000 0.458 99 I N -0.948 119.633 120.570 0.020 0.000 2.296 99 I HA -0.104 4.066 4.170 0.000 0.000 0.242 99 I C 2.177 178.305 176.117 0.018 0.000 1.087 99 I CA 0.839 62.150 61.300 0.019 0.000 1.393 99 I CB -0.362 37.650 38.000 0.020 0.000 1.093 99 I HN 0.186 nan 8.210 nan 0.000 0.421 100 I N 0.866 121.448 120.570 0.020 0.000 2.163 100 I HA -0.276 3.894 4.170 0.000 0.000 0.243 100 I C 2.395 178.523 176.117 0.018 0.000 1.085 100 I CA 1.658 62.970 61.300 0.020 0.000 1.347 100 I CB -0.541 37.473 38.000 0.022 0.000 1.044 100 I HN 0.239 nan 8.210 nan 0.000 0.408 101 T N -0.105 114.459 114.554 0.017 0.000 3.007 101 T HA -0.092 4.259 4.350 0.000 0.000 0.270 101 T C 1.661 176.369 174.700 0.013 0.000 1.107 101 T CA 0.949 63.058 62.100 0.015 0.000 1.118 101 T CB -0.075 68.802 68.868 0.014 0.000 0.889 101 T HN 0.312 nan 8.240 nan 0.000 0.506 102 E N 0.300 120.508 120.200 0.014 0.000 2.290 102 E HA 0.156 4.506 4.350 0.000 0.000 0.197 102 E C 2.499 179.107 176.600 0.012 0.000 0.948 102 E CA 0.446 56.853 56.400 0.012 0.000 0.895 102 E CB -0.353 29.355 29.700 0.012 0.000 0.865 102 E HN 0.490 nan 8.360 nan 0.000 0.486 103 G N 1.250 110.058 108.800 0.014 0.000 2.394 103 G HA2 -0.175 3.786 3.960 0.000 0.000 0.215 103 G HA3 -0.175 3.786 3.960 0.000 0.000 0.215 103 G C 1.561 176.469 174.900 0.014 0.000 1.165 103 G CA 0.346 45.455 45.100 0.014 0.000 0.784 103 G HN 0.092 nan 8.290 nan 0.000 0.535 104 L N 0.686 121.918 121.223 0.015 0.000 2.093 104 L HA 0.089 4.429 4.340 0.000 0.000 0.208 104 L C 2.632 179.510 176.870 0.013 0.000 1.085 104 L CA 1.584 56.434 54.840 0.016 0.000 0.755 104 L CB -0.512 41.557 42.059 0.017 0.000 0.904 104 L HN 0.207 nan 8.230 nan 0.000 0.435 105 K N -0.350 120.057 120.400 0.012 0.000 2.103 105 K HA -0.196 4.124 4.320 0.000 0.000 0.207 105 K C 2.057 178.662 176.600 0.009 0.000 1.048 105 K CA 1.349 57.642 56.287 0.010 0.000 0.930 105 K CB -0.047 32.458 32.500 0.009 0.000 0.716 105 K HN 0.286 nan 8.250 nan 0.000 0.444 106 A N 0.751 123.577 122.820 0.010 0.000 1.877 106 A HA -0.129 4.191 4.320 0.000 0.000 0.216 106 A C 2.211 179.800 177.584 0.010 0.000 1.186 106 A CA 1.662 53.704 52.037 0.009 0.000 0.620 106 A CB -0.878 18.128 19.000 0.010 0.000 0.822 106 A HN 0.257 nan 8.150 nan 0.000 0.443 107 V N -0.150 119.771 119.914 0.011 0.000 2.515 107 V HA -0.109 4.011 4.120 0.000 0.000 0.250 107 V C 2.669 178.770 176.094 0.011 0.000 1.058 107 V CA 2.184 64.492 62.300 0.012 0.000 1.064 107 V CB -0.720 31.112 31.823 0.015 0.000 0.675 107 V HN 0.591 nan 8.190 nan 0.000 0.461 108 A N 0.033 122.859 122.820 0.011 0.000 1.972 108 A HA 0.038 4.359 4.320 0.000 0.000 0.219 108 A C 2.230 179.818 177.584 0.006 0.000 1.169 108 A CA 1.770 53.812 52.037 0.009 0.000 0.635 108 A CB -0.805 18.199 19.000 0.008 0.000 0.810 108 A HN 0.948 nan 8.150 nan 0.000 0.446 109 A N -1.706 121.117 122.820 0.006 0.000 2.259 109 A HA 0.423 4.743 4.320 0.000 0.000 0.208 109 A C 1.617 179.205 177.584 0.005 0.000 1.201 109 A CA 1.096 53.136 52.037 0.005 0.000 0.824 109 A CB -1.038 17.965 19.000 0.005 0.000 0.838 109 A HN 1.880 nan 8.150 nan 0.000 0.485 110 G N -1.536 107.268 108.800 0.006 0.000 2.131 110 G HA2 -0.228 3.732 3.960 0.000 0.000 0.223 110 G HA3 -0.228 3.732 3.960 0.000 0.000 0.223 110 G C 0.102 175.006 174.900 0.007 0.000 0.990 110 G CA 0.235 45.338 45.100 0.006 0.000 0.671 110 G HN 0.394 nan 8.290 nan 0.000 0.521 111 M N 0.618 120.223 119.600 0.007 0.000 2.235 111 M HA 0.267 4.747 4.480 0.000 0.000 0.351 111 M C 0.744 177.049 176.300 0.009 0.000 1.178 111 M CA -0.691 54.614 55.300 0.008 0.000 1.143 111 M CB 0.635 33.240 32.600 0.008 0.000 1.530 111 M HN 0.191 nan 8.290 nan 0.000 0.461 112 N N 3.891 122.596 118.700 0.008 0.000 2.434 112 N HA 0.054 4.794 4.740 0.000 0.000 0.268 112 N C -2.085 173.431 175.510 0.010 0.000 1.256 112 N CA -1.318 51.737 53.050 0.009 0.000 0.914 112 N CB 0.724 39.216 38.487 0.008 0.000 1.088 112 N HN 0.252 nan 8.380 nan 0.000 0.478 113 P HA -0.156 nan 4.420 nan 0.000 0.216 113 P C 1.175 178.482 177.300 0.011 0.000 1.150 113 P CA 1.321 64.428 63.100 0.013 0.000 0.843 113 P CB 0.169 31.879 31.700 0.016 0.000 0.787 114 M N -1.180 118.426 119.600 0.010 0.000 2.236 114 M HA -0.071 4.409 4.480 0.000 0.000 0.266 114 M C 1.586 177.890 176.300 0.007 0.000 1.070 114 M CA 1.622 56.927 55.300 0.008 0.000 1.137 114 M CB -1.048 31.557 32.600 0.008 0.000 1.378 114 M HN -0.168 nan 8.290 nan 0.000 0.426 115 D N -0.496 119.908 120.400 0.007 0.000 2.162 115 D HA -0.040 4.600 4.640 0.000 0.000 0.203 115 D C 2.084 178.388 176.300 0.006 0.000 0.967 115 D CA 0.956 54.960 54.000 0.006 0.000 0.840 115 D CB 0.016 40.819 40.800 0.006 0.000 0.972 115 D HN 0.296 nan 8.370 nan 0.000 0.482 116 L N 1.044 122.272 121.223 0.007 0.000 2.013 116 L HA -0.224 4.116 4.340 0.000 0.000 0.212 116 L C 2.603 179.477 176.870 0.007 0.000 1.073 116 L CA 1.369 56.214 54.840 0.008 0.000 0.753 116 L CB -0.352 41.713 42.059 0.009 0.000 0.890 116 L HN -0.033 nan 8.230 nan 0.000 0.432 117 K N 0.250 120.654 120.400 0.007 0.000 2.026 117 K HA -0.230 4.090 4.320 0.000 0.000 0.208 117 K C 2.325 178.927 176.600 0.003 0.000 1.048 117 K CA 1.372 57.661 56.287 0.005 0.000 0.929 117 K CB -0.118 32.385 32.500 0.005 0.000 0.713 117 K HN 0.072 nan 8.250 nan 0.000 0.439 118 R N -0.368 120.134 120.500 0.003 0.000 2.249 118 R HA -0.101 4.239 4.340 0.000 0.000 0.230 118 R C 1.905 178.207 176.300 0.002 0.000 1.121 118 R CA 1.393 57.494 56.100 0.002 0.000 0.997 118 R CB -0.167 30.135 30.300 0.003 0.000 0.867 118 R HN 0.419 nan 8.270 nan 0.000 0.465 119 G N 0.213 109.015 108.800 0.003 0.000 2.490 119 G HA2 -0.084 3.876 3.960 0.000 0.000 0.211 119 G HA3 -0.084 3.876 3.960 0.000 0.000 0.211 119 G C 1.376 176.278 174.900 0.004 0.000 1.159 119 G CA 0.012 45.115 45.100 0.004 0.000 0.819 119 G HN 0.162 nan 8.290 nan 0.000 0.539 120 I N 1.215 121.788 120.570 0.004 0.000 2.099 120 I HA -0.178 3.992 4.170 0.000 0.000 0.239 120 I C 2.387 178.505 176.117 0.001 0.000 1.066 120 I CA 1.699 63.001 61.300 0.004 0.000 1.324 120 I CB -0.301 37.702 38.000 0.005 0.000 1.037 120 I HN 0.088 nan 8.210 nan 0.000 0.401 121 D N 0.500 120.899 120.400 -0.002 0.000 2.123 121 D HA -0.232 4.409 4.640 0.000 0.000 0.196 121 D C 2.172 178.469 176.300 -0.004 0.000 0.992 121 D CA 1.243 55.240 54.000 -0.006 0.000 0.833 121 D CB -0.062 40.733 40.800 -0.007 0.000 0.954 121 D HN 0.187 nan 8.370 nan 0.000 0.455 122 K N 0.224 120.623 120.400 -0.002 0.000 2.057 122 K HA -0.130 4.190 4.320 0.000 0.000 0.207 122 K C 1.961 178.561 176.600 0.001 0.000 1.049 122 K CA 1.255 57.542 56.287 -0.000 0.000 0.931 122 K CB -0.045 32.456 32.500 0.001 0.000 0.714 122 K HN 0.112 nan 8.250 nan 0.000 0.440 123 A N 0.334 123.155 122.820 0.002 0.000 1.897 123 A HA -0.059 4.261 4.320 0.000 0.000 0.215 123 A C 2.192 179.778 177.584 0.003 0.000 1.181 123 A CA 1.198 53.237 52.037 0.004 0.000 0.620 123 A CB -0.412 18.592 19.000 0.006 0.000 0.821 123 A HN 0.156 nan 8.150 nan 0.000 0.443 124 V N -0.323 119.592 119.914 0.000 0.000 2.307 124 V HA -0.205 3.915 4.120 0.000 0.000 0.245 124 V C 2.766 178.857 176.094 -0.005 0.000 1.045 124 V CA 2.483 64.782 62.300 -0.002 0.000 1.024 124 V CB -1.153 30.666 31.823 -0.007 0.000 0.651 124 V HN 0.586 nan 8.190 nan 0.000 0.449 125 T N 0.429 114.979 114.554 -0.007 0.000 2.720 125 T HA -0.198 4.152 4.350 0.000 0.000 0.268 125 T C 2.040 176.738 174.700 -0.003 0.000 1.037 125 T CA 1.692 63.787 62.100 -0.008 0.000 1.144 125 T CB -0.459 68.404 68.868 -0.008 0.000 0.864 125 T HN 0.567 nan 8.240 nan 0.000 0.444 126 A N 1.556 124.375 122.820 -0.000 0.000 1.865 126 A HA 0.101 4.421 4.320 0.000 0.000 0.217 126 A C 2.676 180.263 177.584 0.005 0.000 1.191 126 A CA 1.972 54.011 52.037 0.003 0.000 0.623 126 A CB -1.228 17.774 19.000 0.004 0.000 0.826 126 A HN 0.516 nan 8.150 nan 0.000 0.444 127 A N -0.784 122.040 122.820 0.006 0.000 1.933 127 A HA -0.004 4.316 4.320 0.000 0.000 0.218 127 A C 2.136 179.725 177.584 0.009 0.000 1.175 127 A CA 1.784 53.826 52.037 0.009 0.000 0.628 127 A CB -0.812 18.195 19.000 0.010 0.000 0.814 127 A HN 0.437 nan 8.150 nan 0.000 0.444 128 V N -0.335 119.582 119.914 0.004 0.000 2.809 128 V HA -0.153 3.967 4.120 0.000 0.000 0.256 128 V C 2.385 178.482 176.094 0.004 0.000 1.080 128 V CA 2.124 64.426 62.300 0.003 0.000 1.102 128 V CB -0.361 31.458 31.823 -0.005 0.000 0.705 128 V HN 0.720 nan 8.190 nan 0.000 0.475 129 E N 0.262 120.464 120.200 0.004 0.000 2.051 129 E HA -0.136 4.214 4.350 0.000 0.000 0.189 129 E C 2.227 178.832 176.600 0.008 0.000 0.979 129 E CA 0.846 57.249 56.400 0.005 0.000 0.803 129 E CB -0.079 29.623 29.700 0.004 0.000 0.761 129 E HN 0.438 nan 8.360 nan 0.000 0.451 130 E N 0.376 120.582 120.200 0.010 0.000 2.160 130 E HA -0.194 4.156 4.350 0.000 0.000 0.195 130 E C 2.076 178.685 176.600 0.015 0.000 0.991 130 E CA 0.673 57.080 56.400 0.012 0.000 0.810 130 E CB -0.349 29.359 29.700 0.014 0.000 0.742 130 E HN 0.252 nan 8.360 nan 0.000 0.466 131 L N 1.642 122.874 121.223 0.015 0.000 2.131 131 L HA -0.169 4.171 4.340 0.000 0.000 0.210 131 L C 1.891 178.771 176.870 0.016 0.000 1.092 131 L CA 1.729 56.579 54.840 0.017 0.000 0.759 131 L CB -0.190 41.879 42.059 0.017 0.000 0.903 131 L HN -0.031 nan 8.230 nan 0.000 0.435 132 K N -0.640 119.768 120.400 0.014 0.000 2.097 132 K HA -0.027 4.293 4.320 0.000 0.000 0.205 132 K C 2.063 178.672 176.600 0.014 0.000 1.050 132 K CA 1.203 57.498 56.287 0.013 0.000 0.938 132 K CB -0.408 32.098 32.500 0.011 0.000 0.718 132 K HN 0.407 nan 8.250 nan 0.000 0.442 133 A N 1.554 124.382 122.820 0.013 0.000 1.930 133 A HA -0.112 4.208 4.320 0.000 0.000 0.217 133 A C 2.094 179.688 177.584 0.017 0.000 1.175 133 A CA 0.993 53.038 52.037 0.014 0.000 0.627 133 A CB -0.366 18.642 19.000 0.013 0.000 0.815 133 A HN 0.208 nan 8.150 nan 0.000 0.443 134 L N -0.175 121.059 121.223 0.019 0.000 2.217 134 L HA 0.119 4.459 4.340 0.000 0.000 0.211 134 L C 1.435 178.318 176.870 0.022 0.000 1.107 134 L CA 1.160 56.013 54.840 0.022 0.000 0.783 134 L CB -0.482 41.591 42.059 0.024 0.000 0.919 134 L HN 0.236 nan 8.230 nan 0.000 0.442 135 S N 0.214 115.926 115.700 0.020 0.000 2.611 135 S HA 0.103 4.573 4.470 0.000 0.000 0.317 135 S C 0.081 174.692 174.600 0.018 0.000 1.208 135 S CA -0.535 57.676 58.200 0.019 0.000 1.217 135 S CB -0.600 62.611 63.200 0.018 0.000 1.085 135 S HN 0.107 nan 8.310 nan 0.000 0.529 136 V N 8.971 128.896 119.914 0.019 0.000 2.655 136 V HA 0.180 4.300 4.120 0.000 0.000 0.300 136 V C -1.650 174.454 176.094 0.016 0.000 1.044 136 V CA -1.429 60.882 62.300 0.017 0.000 1.095 136 V CB 0.209 32.043 31.823 0.018 0.000 0.952 136 V HN 0.692 nan 8.190 nan 0.000 0.485 137 P HA 0.149 nan 4.420 nan 0.000 0.272 137 P C -0.694 176.613 177.300 0.012 0.000 1.254 137 P CA -0.294 62.813 63.100 0.013 0.000 0.795 137 P CB 0.436 32.143 31.700 0.012 0.000 1.022 138 C N 0.451 119.758 119.300 0.011 0.000 2.481 138 C HA 0.663 5.123 4.460 0.000 0.000 0.324 138 C C 0.819 175.814 174.990 0.008 0.000 1.170 138 C CA 0.566 59.590 59.018 0.010 0.000 1.361 138 C CB 0.069 27.816 27.740 0.010 0.000 1.977 138 C HN 0.675 nan 8.230 nan 0.000 0.459 139 S N 2.501 118.205 115.700 0.006 0.000 4.026 139 S HA 0.109 4.579 4.470 0.000 0.000 0.198 139 S C -0.304 174.298 174.600 0.003 0.000 1.069 139 S CA 0.402 58.606 58.200 0.005 0.000 1.200 139 S CB -0.551 62.653 63.200 0.006 0.000 1.385 139 S HN 0.946 nan 8.310 nan 0.000 0.449 140 D N 1.536 121.939 120.400 0.004 0.000 2.354 140 D HA 0.334 4.974 4.640 0.000 0.000 0.247 140 D C 0.612 176.913 176.300 0.001 0.000 1.138 140 D CA 0.011 54.013 54.000 0.003 0.000 0.958 140 D CB 1.250 42.053 40.800 0.004 0.000 1.144 140 D HN 0.208 nan 8.370 nan 0.000 0.458 141 S N 0.040 115.740 115.700 0.000 0.000 2.419 141 S HA -0.201 4.270 4.470 0.000 0.000 0.233 141 S C 1.714 176.314 174.600 -0.000 0.000 1.016 141 S CA 1.114 59.313 58.200 -0.001 0.000 0.974 141 S CB -0.275 62.924 63.200 -0.001 0.000 0.786 141 S HN 0.629 nan 8.310 nan 0.000 0.492 142 K N 1.894 122.295 120.400 0.001 0.000 2.002 142 K HA -0.075 4.245 4.320 0.000 0.000 0.209 142 K C 2.287 178.888 176.600 0.002 0.000 1.048 142 K CA 1.317 57.605 56.287 0.002 0.000 0.930 142 K CB -0.473 32.029 32.500 0.003 0.000 0.714 142 K HN 0.270 nan 8.250 nan 0.000 0.438 143 A N 1.867 124.689 122.820 0.003 0.000 1.908 143 A HA -0.152 4.168 4.320 0.000 0.000 0.218 143 A C 2.122 179.707 177.584 0.003 0.000 1.181 143 A CA 1.543 53.583 52.037 0.004 0.000 0.627 143 A CB -0.545 18.459 19.000 0.006 0.000 0.818 143 A HN 0.358 nan 8.150 nan 0.000 0.445 144 I N 0.029 120.599 120.570 0.001 0.000 2.127 144 I HA -0.272 3.898 4.170 0.000 0.000 0.241 144 I C 2.968 179.085 176.117 -0.001 0.000 1.075 144 I CA 1.645 62.944 61.300 -0.001 0.000 1.334 144 I CB -1.728 36.270 38.000 -0.003 0.000 1.040 144 I HN 0.370 nan 8.210 nan 0.000 0.405 145 A N -0.036 122.783 122.820 -0.002 0.000 1.933 145 A HA -0.262 4.058 4.320 0.000 0.000 0.218 145 A C 2.361 179.944 177.584 -0.002 0.000 1.175 145 A CA 1.846 53.882 52.037 -0.002 0.000 0.628 145 A CB -0.706 18.292 19.000 -0.002 0.000 0.814 145 A HN 0.560 nan 8.150 nan 0.000 0.444 146 Q N -0.689 119.111 119.800 -0.001 0.000 1.967 146 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 146 Q C 2.023 178.023 176.000 -0.000 0.000 0.985 146 Q CA 2.069 57.872 55.803 -0.001 0.000 0.839 146 Q CB -0.355 28.384 28.738 0.001 0.000 0.906 146 Q HN 0.359 nan 8.270 nan 0.000 0.423 147 V N 0.363 120.278 119.914 0.002 0.000 2.626 147 V HA -0.129 3.992 4.120 0.000 0.000 0.252 147 V C 1.919 178.014 176.094 0.003 0.000 1.067 147 V CA 2.090 64.392 62.300 0.003 0.000 1.081 147 V CB -0.563 31.264 31.823 0.006 0.000 0.686 147 V HN 0.630 nan 8.190 nan 0.000 0.468 148 G N -0.477 108.324 108.800 0.001 0.000 2.394 148 G HA2 -0.244 3.716 3.960 0.000 0.000 0.214 148 G HA3 -0.244 3.716 3.960 0.000 0.000 0.214 148 G C 1.710 176.610 174.900 -0.000 0.000 1.176 148 G CA 1.432 46.532 45.100 0.001 0.000 0.786 148 G HN 0.579 nan 8.290 nan 0.000 0.533 149 T N -0.033 114.520 114.554 -0.002 0.000 2.821 149 T HA 0.017 4.367 4.350 0.000 0.000 0.267 149 T C 2.398 177.095 174.700 -0.006 0.000 1.046 149 T CA 1.069 63.166 62.100 -0.004 0.000 1.139 149 T CB -0.238 68.626 68.868 -0.006 0.000 0.871 149 T HN 0.234 nan 8.240 nan 0.000 0.454 150 I N 1.332 121.898 120.570 -0.005 0.000 2.252 150 I HA -0.106 4.064 4.170 0.000 0.000 0.245 150 I C 3.018 179.132 176.117 -0.005 0.000 1.102 150 I CA 1.243 62.539 61.300 -0.008 0.000 1.385 150 I CB -0.424 37.572 38.000 -0.007 0.000 1.064 150 I HN 0.295 nan 8.210 nan 0.000 0.414 151 S N 0.575 116.275 115.700 0.000 0.000 2.428 151 S HA -0.005 4.465 4.470 0.000 0.000 0.230 151 S C 1.896 176.498 174.600 0.004 0.000 1.014 151 S CA 0.976 59.178 58.200 0.004 0.000 0.957 151 S CB -0.163 63.044 63.200 0.011 0.000 0.784 151 S HN 0.435 nan 8.310 nan 0.000 0.499 152 A N 1.250 124.071 122.820 0.002 0.000 2.265 152 A HA 0.230 4.550 4.320 0.000 0.000 0.213 152 A C 1.036 178.618 177.584 -0.004 0.000 1.255 152 A CA 0.556 52.594 52.037 0.000 0.000 0.862 152 A CB -0.927 18.073 19.000 0.000 0.000 0.852 152 A HN 0.761 nan 8.150 nan 0.000 0.484 153 N N -2.103 116.593 118.700 -0.007 0.000 2.936 153 N HA -0.265 4.475 4.740 0.000 0.000 0.236 153 N C 0.209 175.711 175.510 -0.014 0.000 0.930 153 N CA 1.027 54.071 53.050 -0.011 0.000 0.966 153 N CB -0.957 37.524 38.487 -0.010 0.000 1.090 153 N HN 0.521 nan 8.380 nan 0.000 0.592 154 S N -1.147 114.546 115.700 -0.013 0.000 1.934 154 S HA -0.120 4.351 4.470 0.000 0.000 0.250 154 S C -0.597 173.997 174.600 -0.011 0.000 1.384 154 S CA 0.411 58.602 58.200 -0.014 0.000 1.104 154 S CB -0.861 62.328 63.200 -0.019 0.000 1.409 154 S HN 0.552 nan 8.310 nan 0.000 0.645 155 D N 2.628 123.022 120.400 -0.009 0.000 2.346 155 D HA 0.098 4.739 4.640 0.000 0.000 0.267 155 D C 0.990 177.286 176.300 -0.007 0.000 1.320 155 D CA 0.334 54.329 54.000 -0.007 0.000 0.951 155 D CB 0.377 41.173 40.800 -0.006 0.000 1.079 155 D HN 0.513 nan 8.370 nan 0.000 0.509 156 E N 1.576 121.771 120.200 -0.008 0.000 2.515 156 E HA -0.110 4.240 4.350 0.000 0.000 0.201 156 E C 1.472 178.068 176.600 -0.006 0.000 1.071 156 E CA 0.748 57.144 56.400 -0.007 0.000 0.880 156 E CB 0.228 29.923 29.700 -0.008 0.000 0.828 156 E HN 0.598 nan 8.360 nan 0.000 0.540 157 T N -3.322 111.229 114.554 -0.006 0.000 3.071 157 T HA 0.040 4.390 4.350 0.000 0.000 0.239 157 T C 2.078 176.775 174.700 -0.005 0.000 0.997 157 T CA 0.030 62.127 62.100 -0.005 0.000 1.134 157 T CB -0.371 68.494 68.868 -0.005 0.000 0.928 157 T HN -0.040 nan 8.240 nan 0.000 0.453 158 V N 2.303 122.214 119.914 -0.004 0.000 2.261 158 V HA 0.030 4.150 4.120 0.000 0.000 0.246 158 V C 3.089 179.181 176.094 -0.003 0.000 1.047 158 V CA 2.244 64.542 62.300 -0.003 0.000 1.015 158 V CB -1.399 30.423 31.823 -0.001 0.000 0.642 158 V HN 0.696 nan 8.190 nan 0.000 0.446 159 G N -0.921 107.877 108.800 -0.003 0.000 2.422 159 G HA2 -0.252 3.708 3.960 0.000 0.000 0.218 159 G HA3 -0.252 3.708 3.960 0.000 0.000 0.218 159 G C 1.647 176.544 174.900 -0.005 0.000 1.140 159 G CA 0.889 45.986 45.100 -0.004 0.000 0.775 159 G HN 0.454 nan 8.290 nan 0.000 0.545 160 K N -0.342 120.055 120.400 -0.005 0.000 1.985 160 K HA -0.006 4.314 4.320 0.000 0.000 0.210 160 K C 2.471 179.067 176.600 -0.006 0.000 1.047 160 K CA 0.926 57.209 56.287 -0.005 0.000 0.932 160 K CB -0.260 32.237 32.500 -0.005 0.000 0.716 160 K HN 0.218 nan 8.250 nan 0.000 0.439 161 L N 1.353 122.572 121.223 -0.007 0.000 2.083 161 L HA -0.144 4.197 4.340 0.000 0.000 0.209 161 L C 2.225 179.089 176.870 -0.009 0.000 1.083 161 L CA 1.314 56.149 54.840 -0.008 0.000 0.752 161 L CB -0.335 41.719 42.059 -0.008 0.000 0.899 161 L HN 0.237 nan 8.230 nan 0.000 0.433 162 I N -0.939 119.625 120.570 -0.009 0.000 2.163 162 I HA -0.347 3.823 4.170 0.000 0.000 0.243 162 I C 2.592 178.702 176.117 -0.012 0.000 1.085 162 I CA 1.329 62.622 61.300 -0.012 0.000 1.347 162 I CB -0.528 37.465 38.000 -0.010 0.000 1.044 162 I HN 0.250 nan 8.210 nan 0.000 0.408 163 A N 0.342 123.157 122.820 -0.009 0.000 1.898 163 A HA -0.219 4.101 4.320 0.000 0.000 0.216 163 A C 2.197 179.776 177.584 -0.008 0.000 1.181 163 A CA 1.633 53.665 52.037 -0.008 0.000 0.620 163 A CB -0.619 18.378 19.000 -0.006 0.000 0.819 163 A HN 0.430 nan 8.150 nan 0.000 0.442 164 E N -0.264 119.931 120.200 -0.008 0.000 2.118 164 E HA -0.158 4.192 4.350 0.000 0.000 0.195 164 E C 2.258 178.853 176.600 -0.009 0.000 0.992 164 E CA 1.063 57.458 56.400 -0.008 0.000 0.804 164 E CB -0.264 29.432 29.700 -0.007 0.000 0.741 164 E HN 0.640 nan 8.360 nan 0.000 0.458 165 A N 0.816 123.629 122.820 -0.012 0.000 1.872 165 A HA -0.129 4.191 4.320 0.000 0.000 0.214 165 A C 2.143 179.718 177.584 -0.015 0.000 1.187 165 A CA 1.075 53.104 52.037 -0.014 0.000 0.614 165 A CB -0.354 18.636 19.000 -0.017 0.000 0.826 165 A HN 0.109 nan 8.150 nan 0.000 0.442 166 M N -0.706 118.885 119.600 -0.016 0.000 2.117 166 M HA -0.180 4.300 4.480 0.000 0.000 0.262 166 M C 1.943 178.236 176.300 -0.012 0.000 1.065 166 M CA 2.096 57.387 55.300 -0.016 0.000 1.114 166 M CB -0.573 32.018 32.600 -0.016 0.000 1.361 166 M HN 0.606 nan 8.290 nan 0.000 0.408 167 D N 0.327 120.721 120.400 -0.009 0.000 2.158 167 D HA -0.177 4.463 4.640 0.000 0.000 0.197 167 D C 1.823 178.119 176.300 -0.007 0.000 0.995 167 D CA 1.557 55.553 54.000 -0.007 0.000 0.846 167 D CB 0.228 41.025 40.800 -0.006 0.000 0.941 167 D HN 0.252 nan 8.370 nan 0.000 0.456 168 K N -0.628 119.767 120.400 -0.009 0.000 2.044 168 K HA 0.037 4.357 4.320 0.000 0.000 0.204 168 K C 1.966 178.560 176.600 -0.010 0.000 1.045 168 K CA 0.637 56.919 56.287 -0.009 0.000 0.951 168 K CB -0.085 32.409 32.500 -0.009 0.000 0.738 168 K HN 0.009 nan 8.250 nan 0.000 0.443 169 V N 0.210 120.117 119.914 -0.012 0.000 3.052 169 V HA 0.127 4.247 4.120 0.000 0.000 0.254 169 V C 0.409 176.495 176.094 -0.013 0.000 1.100 169 V CA 1.188 63.480 62.300 -0.013 0.000 1.112 169 V CB -0.072 31.741 31.823 -0.017 0.000 0.738 169 V HN 0.618 nan 8.190 nan 0.000 0.469 170 G N -0.165 108.628 108.800 -0.013 0.000 2.707 170 G HA2 -0.197 3.763 3.960 0.000 0.000 0.686 170 G HA3 -0.197 3.763 3.960 0.000 0.000 0.686 170 G C 0.091 174.983 174.900 -0.014 0.000 1.315 170 G CA 0.080 45.173 45.100 -0.012 0.000 0.832 170 G HN 0.275 nan 8.290 nan 0.000 0.573 171 K N 0.225 120.618 120.400 -0.012 0.000 2.057 171 K HA -0.038 4.282 4.320 0.000 0.000 0.206 171 K C 2.146 178.736 176.600 -0.017 0.000 1.050 171 K CA 2.015 58.294 56.287 -0.013 0.000 0.935 171 K CB -0.040 32.456 32.500 -0.007 0.000 0.715 171 K HN 0.562 nan 8.250 nan 0.000 0.439 172 E N 0.342 120.534 120.200 -0.013 0.000 2.427 172 E HA 0.018 4.368 4.350 0.000 0.000 0.196 172 E C 0.770 177.359 176.600 -0.018 0.000 1.028 172 E CA 0.286 56.678 56.400 -0.013 0.000 0.864 172 E CB 0.166 29.860 29.700 -0.009 0.000 0.813 172 E HN 0.282 nan 8.360 nan 0.000 0.514 173 G N 0.304 109.092 108.800 -0.020 0.000 2.572 173 G HA2 0.342 4.302 3.960 0.000 0.000 0.261 173 G HA3 0.342 4.302 3.960 0.000 0.000 0.261 173 G C -0.363 174.519 174.900 -0.031 0.000 1.197 173 G CA -0.610 44.477 45.100 -0.022 0.000 0.870 173 G HN 0.009 nan 8.290 nan 0.000 0.548 174 V N 0.949 120.844 119.914 -0.032 0.000 2.427 174 V HA 0.470 4.590 4.120 0.000 0.000 0.286 174 V C -0.355 175.715 176.094 -0.040 0.000 1.034 174 V CA -0.360 61.915 62.300 -0.042 0.000 0.893 174 V CB 0.987 32.784 31.823 -0.042 0.000 0.982 174 V HN 0.499 nan 8.190 nan 0.000 0.452 175 I N 4.530 125.071 120.570 -0.049 0.000 2.569 175 I HA 0.714 4.884 4.170 0.000 0.000 0.290 175 I C 0.348 176.434 176.117 -0.051 0.000 1.088 175 I CA 0.084 61.358 61.300 -0.043 0.000 1.047 175 I CB 2.221 40.197 38.000 -0.040 0.000 1.237 175 I HN 0.855 nan 8.210 nan 0.000 0.421 176 T N 2.029 116.560 114.554 -0.039 0.000 2.570 176 T HA 0.889 5.239 4.350 0.000 0.000 0.239 176 T C -0.750 173.938 174.700 -0.020 0.000 0.829 176 T CA -0.582 61.498 62.100 -0.033 0.000 1.264 176 T CB 1.128 69.976 68.868 -0.034 0.000 1.546 176 T HN 0.292 nan 8.240 nan 0.000 0.465 177 V N 0.257 120.163 119.914 -0.014 0.000 3.048 177 V HA 0.684 4.804 4.120 0.000 0.000 0.303 177 V C -1.453 174.635 176.094 -0.010 0.000 1.214 177 V CA -0.898 61.397 62.300 -0.008 0.000 0.984 177 V CB 1.944 33.768 31.823 0.000 0.000 1.054 177 V HN 0.991 nan 8.190 nan 0.000 0.430 178 E N 0.865 121.060 120.200 -0.009 0.000 2.293 178 E HA 0.276 4.626 4.350 0.000 0.000 0.270 178 E C -1.344 175.251 176.600 -0.008 0.000 0.879 178 E CA -0.698 55.696 56.400 -0.010 0.000 0.756 178 E CB 2.448 32.141 29.700 -0.012 0.000 1.208 178 E HN 0.791 nan 8.360 nan 0.000 0.428 179 D N 2.757 123.152 120.400 -0.009 0.000 2.498 179 D HA 0.082 4.722 4.640 0.000 0.000 0.229 179 D C 0.128 176.423 176.300 -0.009 0.000 1.188 179 D CA 0.119 54.114 54.000 -0.008 0.000 1.028 179 D CB 0.167 40.962 40.800 -0.009 0.000 1.087 179 D HN 0.571 nan 8.370 nan 0.000 0.510 180 G N 1.120 109.915 108.800 -0.008 0.000 2.583 180 G HA2 0.125 4.085 3.960 0.000 0.000 0.275 180 G HA3 0.125 4.085 3.960 0.000 0.000 0.275 180 G C 0.961 175.857 174.900 -0.008 0.000 1.342 180 G CA 0.497 45.592 45.100 -0.008 0.000 1.030 180 G HN 0.440 nan 8.290 nan 0.000 0.520 181 T N -4.727 109.822 114.554 -0.008 0.000 3.028 181 T HA 0.531 4.881 4.350 0.000 0.000 0.262 181 T C 0.713 175.409 174.700 -0.007 0.000 0.916 181 T CA 0.868 62.963 62.100 -0.008 0.000 0.873 181 T CB 0.569 69.432 68.868 -0.008 0.000 1.232 181 T HN 1.607 nan 8.240 nan 0.000 0.529 182 G N 1.001 109.797 108.800 -0.007 0.000 2.490 182 G HA2 0.480 4.441 3.960 0.000 0.000 0.308 182 G HA3 0.480 4.441 3.960 0.000 0.000 0.308 182 G C -1.652 173.244 174.900 -0.006 0.000 1.286 182 G CA -0.720 44.376 45.100 -0.006 0.000 0.825 182 G HN 0.200 nan 8.290 nan 0.000 0.479 183 L N 0.987 122.207 121.223 -0.005 0.000 2.919 183 L HA 0.481 4.821 4.340 0.000 0.000 0.242 183 L C -0.045 176.821 176.870 -0.005 0.000 1.366 183 L CA 0.192 55.029 54.840 -0.005 0.000 1.212 183 L CB -1.053 41.003 42.059 -0.005 0.000 1.604 183 L HN 0.373 nan 8.230 nan 0.000 0.433 184 Q N 0.058 119.855 119.800 -0.005 0.000 2.327 184 Q HA 0.236 4.576 4.340 0.000 0.000 0.265 184 Q C -1.242 174.755 176.000 -0.006 0.000 0.993 184 Q CA -0.494 55.305 55.803 -0.006 0.000 0.885 184 Q CB 2.076 30.811 28.738 -0.006 0.000 1.379 184 Q HN 0.332 nan 8.270 nan 0.000 0.408 185 D N 1.334 121.730 120.400 -0.006 0.000 2.358 185 D HA 0.305 4.945 4.640 0.000 0.000 0.244 185 D C -0.253 176.043 176.300 -0.007 0.000 1.163 185 D CA 0.113 54.109 54.000 -0.006 0.000 0.945 185 D CB 1.088 41.884 40.800 -0.006 0.000 1.152 185 D HN 0.194 nan 8.370 nan 0.000 0.451 186 E N 0.229 120.424 120.200 -0.007 0.000 2.293 186 E HA 0.346 4.696 4.350 0.000 0.000 0.270 186 E C -0.976 175.618 176.600 -0.009 0.000 0.879 186 E CA -0.829 55.566 56.400 -0.008 0.000 0.756 186 E CB 2.355 32.050 29.700 -0.008 0.000 1.208 186 E HN 0.259 nan 8.360 nan 0.000 0.428 187 L N 3.382 124.600 121.223 -0.009 0.000 2.314 187 L HA 0.291 4.631 4.340 0.000 0.000 0.275 187 L C -0.885 175.978 176.870 -0.010 0.000 1.068 187 L CA -0.355 54.479 54.840 -0.010 0.000 0.894 187 L CB 0.108 42.161 42.059 -0.009 0.000 1.275 187 L HN 0.453 nan 8.230 nan 0.000 0.432 188 D N 2.251 122.644 120.400 -0.011 0.000 2.340 188 D HA 0.553 5.194 4.640 0.000 0.000 0.251 188 D C -0.514 175.778 176.300 -0.013 0.000 1.080 188 D CA 0.026 54.019 54.000 -0.011 0.000 0.971 188 D CB 2.461 43.254 40.800 -0.012 0.000 1.137 188 D HN 0.280 nan 8.370 nan 0.000 0.475 189 V N -1.777 118.130 119.914 -0.012 0.000 3.007 189 V HA 0.881 5.002 4.120 0.000 0.000 0.311 189 V C -0.587 175.500 176.094 -0.012 0.000 1.120 189 V CA -0.706 61.587 62.300 -0.013 0.000 0.980 189 V CB 1.817 33.633 31.823 -0.011 0.000 1.033 189 V HN 0.343 nan 8.190 nan 0.000 0.429 190 V N 0.690 120.596 119.914 -0.013 0.000 3.282 190 V HA 0.486 4.606 4.120 0.000 0.000 0.295 190 V C -0.923 175.164 176.094 -0.011 0.000 1.451 190 V CA -0.540 61.753 62.300 -0.012 0.000 1.062 190 V CB 2.365 34.180 31.823 -0.013 0.000 1.128 190 V HN 1.161 nan 8.190 nan 0.000 0.456 191 E N 1.508 121.703 120.200 -0.008 0.000 2.436 191 E HA 0.504 4.854 4.350 0.000 0.000 0.262 191 E C 0.235 176.831 176.600 -0.006 0.000 1.063 191 E CA 0.909 57.306 56.400 -0.005 0.000 0.944 191 E CB 0.695 30.394 29.700 -0.003 0.000 0.950 191 E HN 1.353 nan 8.360 nan 0.000 0.444 192 G N 0.041 108.840 108.800 -0.002 0.000 2.320 192 G HA2 0.351 4.311 3.960 0.000 0.000 0.297 192 G HA3 0.351 4.311 3.960 0.000 0.000 0.297 192 G C -1.489 173.414 174.900 0.005 0.000 1.344 192 G CA -0.667 44.432 45.100 -0.002 0.000 0.851 192 G HN 0.407 nan 8.290 nan 0.000 0.567 193 M N 0.367 119.970 119.600 0.005 0.000 2.371 193 M HA 0.691 5.171 4.480 0.000 0.000 0.287 193 M C -1.649 174.631 176.300 -0.033 0.000 1.149 193 M CA -0.656 54.662 55.300 0.031 0.000 0.929 193 M CB 2.351 35.012 32.600 0.101 0.000 1.683 193 M HN 0.792 nan 8.290 nan 0.000 0.470 194 Q N 4.045 123.827 119.800 -0.030 0.000 2.331 194 Q HA 0.743 5.083 4.340 0.000 0.000 0.272 194 Q C -2.150 173.832 176.000 -0.030 0.000 1.062 194 Q CA -0.658 55.050 55.803 -0.158 0.000 0.806 194 Q CB 2.258 30.929 28.738 -0.112 0.000 1.312 194 Q HN 0.640 nan 8.270 nan 0.000 0.431 195 F N -0.591 119.358 119.950 -0.003 0.000 2.645 195 F HA 0.461 4.988 4.527 0.000 0.000 0.310 195 F C -0.786 175.018 175.800 0.006 0.000 1.102 195 F CA -1.368 56.632 58.000 -0.001 0.000 0.952 195 F CB 0.878 39.879 39.000 0.001 0.000 1.326 195 F HN 0.380 nan 8.300 nan 0.000 0.456 196 D N 1.219 121.785 120.400 0.276 0.000 2.948 196 D HA 0.246 4.886 4.640 0.000 0.000 0.241 196 D C -0.646 175.776 176.300 0.204 0.000 1.198 196 D CA 0.550 54.651 54.000 0.168 0.000 0.926 196 D CB -0.314 40.561 40.800 0.125 0.000 1.151 196 D HN 0.335 nan 8.370 nan 0.000 0.441 197 R N -0.282 120.377 120.500 0.264 0.000 2.574 197 R HA 0.683 5.023 4.340 0.000 0.000 0.288 197 R C 0.345 176.701 176.300 0.092 0.000 1.004 197 R CA -0.667 55.559 56.100 0.210 0.000 0.895 197 R CB 2.114 32.615 30.300 0.336 0.000 1.191 197 R HN 0.137 nan 8.270 nan 0.000 0.444 198 G N 0.776 109.575 108.800 -0.002 0.000 2.753 198 G HA2 0.374 4.334 3.960 0.000 0.000 0.285 198 G HA3 0.374 4.334 3.960 0.000 0.000 0.285 198 G C -0.906 173.966 174.900 -0.047 0.000 1.344 198 G CA -0.677 44.355 45.100 -0.115 0.000 1.050 198 G HN 0.529 nan 8.290 nan 0.000 0.532 199 Y N -1.125 119.258 120.300 0.139 0.000 2.652 199 Y HA 0.317 4.867 4.550 0.000 0.000 0.344 199 Y C 1.026 177.044 175.900 0.197 0.000 1.254 199 Y CA -0.802 57.428 58.100 0.217 0.000 1.480 199 Y CB 0.178 38.805 38.460 0.279 0.000 1.345 199 Y HN 0.129 nan 8.280 nan 0.000 0.617 200 L N 1.229 122.752 121.223 0.499 0.000 2.202 200 L HA 0.118 4.459 4.340 0.000 0.000 0.205 200 L C 1.138 178.157 176.870 0.248 0.000 1.083 200 L CA 1.265 56.300 54.840 0.324 0.000 0.790 200 L CB -0.455 41.776 42.059 0.287 0.000 0.942 200 L HN 0.741 nan 8.230 nan 0.000 0.452 201 S N -1.234 114.509 115.700 0.071 0.000 2.473 201 S HA 0.399 4.869 4.470 0.000 0.000 0.307 201 S C -1.990 172.360 174.600 -0.417 0.000 1.094 201 S CA -1.413 56.591 58.200 -0.327 0.000 1.070 201 S CB 1.381 64.020 63.200 -0.936 0.000 1.019 201 S HN -0.152 nan 8.310 nan 0.000 0.480 202 P HA -0.047 nan 4.420 nan 0.000 0.221 202 P C 0.284 177.323 177.300 -0.435 0.000 1.145 202 P CA 0.967 63.814 63.100 -0.422 0.000 0.795 202 P CB -0.072 31.464 31.700 -0.273 0.000 0.775 203 Y N -2.409 117.626 120.300 -0.440 0.000 2.651 203 Y HA -0.084 4.466 4.550 0.000 0.000 0.296 203 Y C 1.499 177.298 175.900 -0.167 0.000 1.150 203 Y CA 0.726 58.638 58.100 -0.312 0.000 1.348 203 Y CB -0.990 37.285 38.460 -0.307 0.000 0.983 203 Y HN -0.032 nan 8.280 nan 0.000 0.555 204 F N -0.977 118.937 119.950 -0.060 0.000 2.776 204 F HA 0.177 4.705 4.527 0.000 0.000 0.300 204 F C 0.865 176.561 175.800 -0.173 0.000 1.116 204 F CA -0.869 57.077 58.000 -0.091 0.000 1.375 204 F CB -0.782 38.182 39.000 -0.059 0.000 1.109 204 F HN -0.127 nan 8.300 nan 0.000 0.585 205 I N 2.925 123.405 120.570 -0.151 0.000 2.501 205 I HA -0.061 4.109 4.170 0.000 0.000 0.305 205 I C 1.181 177.254 176.117 -0.074 0.000 1.197 205 I CA -0.118 61.073 61.300 -0.182 0.000 1.793 205 I CB -0.387 37.431 38.000 -0.303 0.000 1.521 205 I HN 0.083 nan 8.210 nan 0.000 0.843 206 N N 3.929 122.619 118.700 -0.017 0.000 2.512 206 N HA -0.130 4.610 4.740 0.000 0.000 0.183 206 N C 0.393 175.894 175.510 -0.015 0.000 1.073 206 N CA 0.901 53.945 53.050 -0.009 0.000 0.911 206 N CB 0.181 38.674 38.487 0.010 0.000 0.964 206 N HN 0.175 nan 8.380 nan 0.000 0.447 207 K N 1.422 121.815 120.400 -0.012 0.000 2.526 207 K HA 0.269 4.589 4.320 0.000 0.000 0.214 207 K C -1.886 174.701 176.600 -0.022 0.000 1.088 207 K CA -2.032 54.247 56.287 -0.012 0.000 1.058 207 K CB 1.535 34.037 32.500 0.004 0.000 1.653 207 K HN 0.177 nan 8.250 nan 0.000 0.521 208 P HA -0.110 nan 4.420 nan 0.000 0.221 208 P C 0.702 177.979 177.300 -0.038 0.000 1.150 208 P CA 0.943 64.011 63.100 -0.052 0.000 0.800 208 P CB 0.575 32.233 31.700 -0.069 0.000 0.787 209 E N -0.406 119.776 120.200 -0.031 0.000 2.204 209 E HA -0.056 4.294 4.350 0.000 0.000 0.194 209 E C 1.618 178.202 176.600 -0.026 0.000 0.989 209 E CA 1.234 57.618 56.400 -0.027 0.000 0.824 209 E CB -0.640 29.046 29.700 -0.022 0.000 0.756 209 E HN 0.307 nan 8.360 nan 0.000 0.477 210 T N -1.036 113.506 114.554 -0.021 0.000 3.051 210 T HA 0.153 4.503 4.350 0.000 0.000 0.255 210 T C 1.235 175.918 174.700 -0.027 0.000 1.085 210 T CA 0.746 62.833 62.100 -0.023 0.000 1.109 210 T CB 0.374 69.240 68.868 -0.004 0.000 0.921 210 T HN 0.350 nan 8.240 nan 0.000 0.488 211 G N 1.417 110.214 108.800 -0.006 0.000 2.160 211 G HA2 0.054 4.015 3.960 0.000 0.000 0.244 211 G HA3 0.054 4.015 3.960 0.000 0.000 0.244 211 G C 0.062 175.032 174.900 0.116 0.000 1.022 211 G CA 0.054 45.175 45.100 0.035 0.000 0.741 211 G HN 0.921 nan 8.290 nan 0.000 0.508 212 A N -1.669 121.202 122.820 0.085 0.000 2.524 212 A HA 0.992 5.312 4.320 0.000 0.000 0.286 212 A C -0.520 177.116 177.584 0.087 0.000 1.203 212 A CA -0.138 51.975 52.037 0.127 0.000 0.736 212 A CB 1.895 20.947 19.000 0.088 0.000 1.322 212 A HN 1.390 nan 8.150 nan 0.000 0.424 213 V N 0.430 120.406 119.914 0.104 0.000 2.656 213 V HA 0.537 4.657 4.120 0.000 0.000 0.307 213 V C -0.625 175.497 176.094 0.047 0.000 1.051 213 V CA -0.551 61.790 62.300 0.069 0.000 0.893 213 V CB 1.569 33.450 31.823 0.097 0.000 0.999 213 V HN 0.888 nan 8.190 nan 0.000 0.426 214 E N 4.039 124.254 120.200 0.025 0.000 2.222 214 E HA 0.760 5.111 4.350 0.000 0.000 0.267 214 E C -1.554 175.047 176.600 0.002 0.000 0.884 214 E CA -0.680 55.727 56.400 0.011 0.000 0.764 214 E CB 2.772 32.475 29.700 0.006 0.000 1.169 214 E HN 0.484 nan 8.360 nan 0.000 0.413 215 L N 2.587 123.806 121.223 -0.007 0.000 2.470 215 L HA 0.324 4.664 4.340 0.000 0.000 0.268 215 L C -0.785 176.069 176.870 -0.027 0.000 0.964 215 L CA -0.947 53.883 54.840 -0.017 0.000 0.839 215 L CB 2.028 44.076 42.059 -0.019 0.000 1.276 215 L HN 0.366 nan 8.230 nan 0.000 0.403 216 E N 1.890 122.071 120.200 -0.032 0.000 2.146 216 E HA 0.251 4.601 4.350 0.000 0.000 0.282 216 E C 0.651 177.213 176.600 -0.063 0.000 0.989 216 E CA 0.094 56.469 56.400 -0.042 0.000 0.799 216 E CB 1.522 31.200 29.700 -0.036 0.000 1.088 216 E HN 0.712 nan 8.360 nan 0.000 0.397 217 S N 0.928 116.582 115.700 -0.077 0.000 3.380 217 S HA -0.135 4.335 4.470 0.000 0.000 0.300 217 S C -1.723 172.770 174.600 -0.178 0.000 1.255 217 S CA 0.542 58.669 58.200 -0.120 0.000 0.963 217 S CB -2.043 61.082 63.200 -0.124 0.000 1.106 217 S HN 0.486 nan 8.310 nan 0.000 0.629 218 P HA 0.437 nan 4.420 nan 0.000 0.274 218 P C 0.399 177.610 177.300 -0.148 0.000 1.246 218 P CA -0.564 62.463 63.100 -0.122 0.000 0.795 218 P CB 0.256 31.935 31.700 -0.034 0.000 1.006 219 F N 0.040 119.982 119.950 -0.014 0.000 2.450 219 F HA 0.250 4.777 4.527 0.000 0.000 0.339 219 F C 1.098 176.890 175.800 -0.012 0.000 1.146 219 F CA 0.155 58.148 58.000 -0.011 0.000 1.267 219 F CB 0.276 39.269 39.000 -0.012 0.000 1.178 219 F HN 0.030 nan 8.300 nan 0.000 0.585 220 I N 4.280 124.988 120.570 0.230 0.000 2.468 220 I HA 0.221 4.391 4.170 0.000 0.000 0.285 220 I C -1.246 174.932 176.117 0.101 0.000 1.039 220 I CA -0.621 60.753 61.300 0.123 0.000 1.074 220 I CB 1.758 39.814 38.000 0.093 0.000 1.228 220 I HN 0.292 nan 8.210 nan 0.000 0.436 221 L N 7.641 128.901 121.223 0.063 0.000 2.296 221 L HA 0.602 4.942 4.340 0.000 0.000 0.286 221 L C -1.117 175.775 176.870 0.037 0.000 1.023 221 L CA -0.506 54.355 54.840 0.034 0.000 0.812 221 L CB 1.583 43.647 42.059 0.009 0.000 1.223 221 L HN 0.565 nan 8.230 nan 0.000 0.421 222 L N 5.002 126.244 121.223 0.031 0.000 2.295 222 L HA 0.662 5.002 4.340 0.000 0.000 0.285 222 L C 0.038 176.919 176.870 0.018 0.000 1.035 222 L CA -0.523 54.334 54.840 0.028 0.000 0.806 222 L CB 1.604 43.678 42.059 0.025 0.000 1.214 222 L HN 0.743 nan 8.230 nan 0.000 0.426 223 A N 1.244 124.075 122.820 0.019 0.000 2.335 223 A HA 0.316 4.636 4.320 0.000 0.000 0.304 223 A C -0.129 177.463 177.584 0.014 0.000 1.118 223 A CA -0.499 51.548 52.037 0.016 0.000 0.757 223 A CB 1.082 20.095 19.000 0.020 0.000 1.188 223 A HN 0.771 nan 8.150 nan 0.000 0.460 224 D N 1.704 122.111 120.400 0.010 0.000 2.346 224 D HA 0.098 4.738 4.640 0.000 0.000 0.248 224 D C 0.538 176.847 176.300 0.016 0.000 1.173 224 D CA 0.903 54.908 54.000 0.009 0.000 0.878 224 D CB -0.266 40.537 40.800 0.005 0.000 0.919 224 D HN 0.681 nan 8.370 nan 0.000 0.513 225 K N -2.282 118.130 120.400 0.020 0.000 2.499 225 K HA 0.456 4.776 4.320 0.000 0.000 0.284 225 K C -1.078 175.538 176.600 0.027 0.000 1.039 225 K CA -1.163 55.138 56.287 0.024 0.000 0.873 225 K CB 0.671 33.182 32.500 0.018 0.000 1.545 225 K HN -0.342 nan 8.250 nan 0.000 0.402 226 K N 0.629 121.044 120.400 0.024 0.000 2.144 226 K HA 0.393 4.713 4.320 0.000 0.000 0.270 226 K C -0.545 176.068 176.600 0.023 0.000 1.005 226 K CA -0.434 55.868 56.287 0.025 0.000 0.932 226 K CB 0.607 33.117 32.500 0.017 0.000 1.021 226 K HN 0.422 nan 8.250 nan 0.000 0.462 227 I N 3.100 123.686 120.570 0.028 0.000 2.428 227 I HA 0.077 4.247 4.170 0.000 0.000 0.279 227 I C 0.766 176.898 176.117 0.024 0.000 1.040 227 I CA -0.060 61.255 61.300 0.025 0.000 1.171 227 I CB 0.543 38.560 38.000 0.029 0.000 1.312 227 I HN 0.760 nan 8.210 nan 0.000 0.470 228 S N 4.396 120.106 115.700 0.017 0.000 2.398 228 S HA 0.080 4.550 4.470 0.000 0.000 0.220 228 S C 0.840 175.446 174.600 0.011 0.000 1.046 228 S CA 0.056 58.264 58.200 0.014 0.000 0.953 228 S CB 0.257 63.462 63.200 0.008 0.000 0.856 228 S HN 0.653 nan 8.310 nan 0.000 0.506 229 N N 0.450 119.155 118.700 0.008 0.000 2.489 229 N HA 0.274 5.014 4.740 0.000 0.000 0.284 229 N C 0.572 176.086 175.510 0.007 0.000 1.158 229 N CA -0.262 52.792 53.050 0.006 0.000 0.965 229 N CB 1.144 39.632 38.487 0.003 0.000 1.195 229 N HN 0.120 nan 8.380 nan 0.000 0.506 230 I N 1.908 122.481 120.570 0.005 0.000 2.454 230 I HA -0.165 4.005 4.170 0.000 0.000 0.254 230 I C 2.527 178.645 176.117 0.002 0.000 1.156 230 I CA 0.539 61.841 61.300 0.005 0.000 1.433 230 I CB -0.568 37.434 38.000 0.002 0.000 1.082 230 I HN 0.604 nan 8.210 nan 0.000 0.432 231 R N 1.653 122.153 120.500 0.001 0.000 2.206 231 R HA -0.342 3.998 4.340 0.000 0.000 0.240 231 R C 2.138 178.436 176.300 -0.003 0.000 1.117 231 R CA 2.711 58.810 56.100 -0.002 0.000 0.915 231 R CB -0.492 29.808 30.300 -0.001 0.000 0.888 231 R HN 0.329 nan 8.270 nan 0.000 0.432 232 E N -0.173 120.027 120.200 -0.001 0.000 2.219 232 E HA -0.204 4.146 4.350 0.000 0.000 0.198 232 E C 1.849 178.446 176.600 -0.005 0.000 0.998 232 E CA 1.832 58.231 56.400 -0.002 0.000 0.818 232 E CB -0.123 29.578 29.700 0.002 0.000 0.741 232 E HN 0.341 nan 8.360 nan 0.000 0.477 233 M N -0.530 119.068 119.600 -0.002 0.000 2.447 233 M HA 0.059 4.539 4.480 0.000 0.000 0.264 233 M C 1.385 177.678 176.300 -0.012 0.000 1.095 233 M CA 0.643 55.940 55.300 -0.005 0.000 1.125 233 M CB 0.221 32.824 32.600 0.004 0.000 1.389 233 M HN 0.074 nan 8.290 nan 0.000 0.459 234 L N 0.504 121.720 121.223 -0.011 0.000 1.990 234 L HA -0.207 4.133 4.340 0.000 0.000 0.213 234 L C -0.470 176.387 176.870 -0.022 0.000 1.072 234 L CA 1.599 56.431 54.840 -0.014 0.000 0.755 234 L CB -2.467 39.586 42.059 -0.011 0.000 0.889 234 L HN 0.246 nan 8.230 nan 0.000 0.432 235 P HA -0.105 nan 4.420 nan 0.000 0.216 235 P C 1.772 179.043 177.300 -0.049 0.000 1.153 235 P CA 1.728 64.808 63.100 -0.034 0.000 0.844 235 P CB -0.180 31.502 31.700 -0.031 0.000 0.787 236 V N -2.738 117.146 119.914 -0.050 0.000 2.667 236 V HA -0.130 3.990 4.120 0.000 0.000 0.252 236 V C 2.451 178.501 176.094 -0.074 0.000 1.065 236 V CA 1.120 63.378 62.300 -0.071 0.000 1.083 236 V CB -1.841 29.947 31.823 -0.058 0.000 0.692 236 V HN -0.084 nan 8.190 nan 0.000 0.468 237 L N 0.801 121.996 121.223 -0.047 0.000 2.044 237 L HA -0.022 4.318 4.340 0.000 0.000 0.205 237 L C 2.605 179.451 176.870 -0.041 0.000 1.075 237 L CA 2.318 57.136 54.840 -0.037 0.000 0.747 237 L CB -0.812 41.235 42.059 -0.019 0.000 0.903 237 L HN 0.446 nan 8.230 nan 0.000 0.435 238 E N -0.708 119.468 120.200 -0.040 0.000 2.153 238 E HA -0.232 4.118 4.350 0.000 0.000 0.194 238 E C 2.043 178.608 176.600 -0.058 0.000 0.988 238 E CA 0.975 57.351 56.400 -0.039 0.000 0.811 238 E CB -0.045 29.635 29.700 -0.032 0.000 0.746 238 E HN 0.623 nan 8.360 nan 0.000 0.466 239 A N 0.763 123.530 122.820 -0.087 0.000 1.858 239 A HA -0.181 4.139 4.320 0.000 0.000 0.216 239 A C 2.413 179.890 177.584 -0.178 0.000 1.190 239 A CA 2.021 53.976 52.037 -0.136 0.000 0.617 239 A CB -0.936 17.962 19.000 -0.169 0.000 0.827 239 A HN 0.298 nan 8.150 nan 0.000 0.443 240 V N -2.704 117.102 119.914 -0.179 0.000 2.667 240 V HA 0.110 4.230 4.120 0.000 0.000 0.252 240 V C 2.450 178.529 176.094 -0.024 0.000 1.065 240 V CA 1.493 63.707 62.300 -0.143 0.000 1.083 240 V CB -1.309 30.467 31.823 -0.079 0.000 0.692 240 V HN 0.520 nan 8.190 nan 0.000 0.468 241 A N 0.976 123.780 122.820 -0.026 0.000 1.877 241 A HA -0.160 4.161 4.320 0.000 0.000 0.216 241 A C 2.332 179.916 177.584 -0.001 0.000 1.186 241 A CA 2.149 54.184 52.037 -0.004 0.000 0.620 241 A CB -0.577 18.418 19.000 -0.009 0.000 0.822 241 A HN 0.574 nan 8.150 nan 0.000 0.443 242 K N -0.425 119.964 120.400 -0.018 0.000 2.211 242 K HA 0.026 4.346 4.320 0.000 0.000 0.203 242 K C 2.044 178.647 176.600 0.005 0.000 1.050 242 K CA 0.904 57.184 56.287 -0.011 0.000 0.945 242 K CB -0.211 32.274 32.500 -0.025 0.000 0.732 242 K HN 0.450 nan 8.250 nan 0.000 0.451 243 A N 0.600 123.424 122.820 0.006 0.000 2.067 243 A HA 0.119 4.439 4.320 0.000 0.000 0.217 243 A C 1.342 179.008 177.584 0.136 0.000 1.156 243 A CA 0.911 52.997 52.037 0.082 0.000 0.683 243 A CB -0.313 18.732 19.000 0.075 0.000 0.808 243 A HN 0.374 nan 8.150 nan 0.000 0.455 244 G N -0.555 108.305 108.800 0.100 0.000 2.256 244 G HA2 -0.216 3.744 3.960 0.000 0.000 0.272 244 G HA3 -0.216 3.744 3.960 0.000 0.000 0.272 244 G C -0.134 174.829 174.900 0.104 0.000 1.076 244 G CA 0.631 45.781 45.100 0.082 0.000 0.882 244 G HN 0.634 nan 8.290 nan 0.000 0.497 245 K N -0.565 119.930 120.400 0.158 0.000 2.536 245 K HA 0.529 4.849 4.320 0.000 0.000 0.269 245 K C -2.736 173.955 176.600 0.152 0.000 0.965 245 K CA -2.113 54.262 56.287 0.146 0.000 0.860 245 K CB 2.430 35.023 32.500 0.154 0.000 1.423 245 K HN -0.010 nan 8.250 nan 0.000 0.438 246 P HA 0.127 nan 4.420 nan 0.000 0.271 246 P C -1.174 176.192 177.300 0.111 0.000 1.244 246 P CA -0.570 62.569 63.100 0.065 0.000 0.793 246 P CB 0.506 32.217 31.700 0.018 0.000 0.984 247 L N 1.603 122.862 121.223 0.060 0.000 2.455 247 L HA 0.457 4.797 4.340 0.000 0.000 0.264 247 L C -1.872 174.988 176.870 -0.016 0.000 0.968 247 L CA -0.801 54.080 54.840 0.068 0.000 0.827 247 L CB 1.889 43.983 42.059 0.058 0.000 1.317 247 L HN 0.270 nan 8.230 nan 0.000 0.407 248 L N 6.169 127.393 121.223 0.001 0.000 2.305 248 L HA 0.521 4.861 4.340 0.000 0.000 0.284 248 L C -0.710 176.155 176.870 -0.007 0.000 1.013 248 L CA -0.429 54.390 54.840 -0.036 0.000 0.819 248 L CB 1.599 43.652 42.059 -0.009 0.000 1.227 248 L HN 0.603 nan 8.230 nan 0.000 0.417 249 I N 6.266 126.816 120.570 -0.034 0.000 2.325 249 I HA 0.277 4.447 4.170 0.000 0.000 0.291 249 I C 0.181 176.326 176.117 0.046 0.000 1.019 249 I CA -0.156 61.148 61.300 0.006 0.000 1.302 249 I CB 1.192 39.190 38.000 -0.004 0.000 1.401 249 I HN 0.440 nan 8.210 nan 0.000 0.485 250 I N 6.856 127.466 120.570 0.066 0.000 2.361 250 I HA 0.463 4.633 4.170 0.000 0.000 0.282 250 I C 0.393 176.547 176.117 0.061 0.000 1.075 250 I CA -0.139 61.216 61.300 0.092 0.000 1.205 250 I CB 0.639 38.711 38.000 0.120 0.000 1.406 250 I HN 0.612 nan 8.210 nan 0.000 0.481 251 A N 4.434 127.293 122.820 0.064 0.000 2.288 251 A HA 0.487 4.807 4.320 0.000 0.000 0.328 251 A C 0.972 178.587 177.584 0.053 0.000 1.123 251 A CA -0.486 51.581 52.037 0.050 0.000 0.861 251 A CB 0.949 19.980 19.000 0.052 0.000 1.272 251 A HN 0.692 nan 8.150 nan 0.000 0.490 252 E N -0.390 119.838 120.200 0.046 0.000 2.110 252 E HA -0.103 4.247 4.350 0.000 0.000 0.193 252 E C -0.259 176.377 176.600 0.060 0.000 0.988 252 E CA 1.341 57.775 56.400 0.057 0.000 0.804 252 E CB 0.168 29.904 29.700 0.059 0.000 0.745 252 E HN 0.623 nan 8.360 nan 0.000 0.458 253 D N -1.863 118.570 120.400 0.054 0.000 2.725 253 D HA 0.210 4.850 4.640 0.000 0.000 0.292 253 D C -1.817 174.519 176.300 0.059 0.000 1.288 253 D CA -0.462 53.573 54.000 0.058 0.000 0.784 253 D CB 2.249 43.069 40.800 0.034 0.000 1.308 253 D HN -0.220 nan 8.370 nan 0.000 0.429 254 V N 1.717 121.672 119.914 0.068 0.000 2.577 254 V HA 0.320 4.440 4.120 0.000 0.000 0.294 254 V C -0.495 175.633 176.094 0.058 0.000 1.052 254 V CA -0.799 61.542 62.300 0.068 0.000 0.891 254 V CB 1.626 33.508 31.823 0.099 0.000 1.017 254 V HN 0.391 nan 8.190 nan 0.000 0.436 255 E N 2.153 122.375 120.200 0.037 0.000 2.312 255 E HA 0.499 4.850 4.350 0.000 0.000 0.259 255 E C 1.354 177.966 176.600 0.019 0.000 1.122 255 E CA 0.133 56.548 56.400 0.024 0.000 0.922 255 E CB 0.815 30.523 29.700 0.014 0.000 1.109 255 E HN 0.743 nan 8.360 nan 0.000 0.442 256 G N 0.126 108.930 108.800 0.008 0.000 3.135 256 G HA2 -0.162 3.798 3.960 0.000 0.000 0.208 256 G HA3 -0.162 3.798 3.960 0.000 0.000 0.208 256 G C 0.774 175.668 174.900 -0.010 0.000 1.212 256 G CA 0.529 45.626 45.100 -0.005 0.000 0.928 256 G HN 0.516 nan 8.290 nan 0.000 0.500 257 E N -0.737 119.461 120.200 -0.003 0.000 2.419 257 E HA 0.301 4.651 4.350 0.000 0.000 0.197 257 E C 2.570 179.171 176.600 0.001 0.000 0.920 257 E CA 0.486 56.883 56.400 -0.005 0.000 1.085 257 E CB -0.179 29.519 29.700 -0.003 0.000 1.084 257 E HN 0.124 nan 8.360 nan 0.000 0.490 258 A N 1.940 124.767 122.820 0.012 0.000 1.883 258 A HA -0.181 4.139 4.320 0.000 0.000 0.217 258 A C 2.247 179.853 177.584 0.037 0.000 1.186 258 A CA 1.582 53.633 52.037 0.023 0.000 0.624 258 A CB -0.991 18.026 19.000 0.029 0.000 0.822 258 A HN 0.429 nan 8.150 nan 0.000 0.444 259 L N -0.798 120.452 121.223 0.044 0.000 2.017 259 L HA -0.152 4.188 4.340 0.000 0.000 0.208 259 L C 2.804 179.675 176.870 0.001 0.000 1.073 259 L CA 1.732 56.609 54.840 0.061 0.000 0.745 259 L CB -0.375 41.717 42.059 0.055 0.000 0.894 259 L HN 0.393 nan 8.230 nan 0.000 0.432 260 A N -0.444 122.356 122.820 -0.033 0.000 1.877 260 A HA -0.234 4.086 4.320 0.000 0.000 0.216 260 A C 2.362 179.906 177.584 -0.067 0.000 1.186 260 A CA 2.359 54.348 52.037 -0.079 0.000 0.620 260 A CB -1.321 17.640 19.000 -0.064 0.000 0.822 260 A HN 0.619 nan 8.150 nan 0.000 0.443 261 T N -1.200 113.335 114.554 -0.030 0.000 2.788 261 T HA -0.081 4.269 4.350 0.000 0.000 0.268 261 T C 1.821 176.519 174.700 -0.004 0.000 1.044 261 T CA 1.479 63.568 62.100 -0.019 0.000 1.139 261 T CB -0.571 68.293 68.868 -0.008 0.000 0.867 261 T HN 0.285 nan 8.240 nan 0.000 0.454 262 L N 0.492 121.729 121.223 0.023 0.000 2.056 262 L HA -0.013 4.327 4.340 0.000 0.000 0.207 262 L C 2.971 179.887 176.870 0.075 0.000 1.078 262 L CA 0.707 55.587 54.840 0.067 0.000 0.749 262 L CB -0.628 41.503 42.059 0.120 0.000 0.901 262 L HN 0.160 nan 8.230 nan 0.000 0.433 263 V N -0.521 119.394 119.914 0.001 0.000 2.332 263 V HA -0.261 3.859 4.120 0.000 0.000 0.248 263 V C 2.437 178.447 176.094 -0.140 0.000 1.055 263 V CA 1.585 63.801 62.300 -0.141 0.000 1.038 263 V CB -0.183 31.386 31.823 -0.424 0.000 0.651 263 V HN 0.193 nan 8.190 nan 0.000 0.450 264 V N 0.654 120.500 119.914 -0.113 0.000 2.295 264 V HA -0.269 3.851 4.120 0.000 0.000 0.246 264 V C 2.363 178.444 176.094 -0.020 0.000 1.049 264 V CA 2.408 64.666 62.300 -0.071 0.000 1.024 264 V CB -0.995 30.793 31.823 -0.058 0.000 0.648 264 V HN 0.674 nan 8.190 nan 0.000 0.447 265 N N 0.492 119.191 118.700 -0.001 0.000 2.289 265 N HA -0.168 4.572 4.740 0.000 0.000 0.184 265 N C 1.797 177.328 175.510 0.036 0.000 1.016 265 N CA 2.205 55.265 53.050 0.017 0.000 0.872 265 N CB -0.193 38.306 38.487 0.020 0.000 0.973 265 N HN 0.699 nan 8.380 nan 0.000 0.433 266 T N -1.625 112.965 114.554 0.059 0.000 2.866 266 T HA -0.068 4.282 4.350 0.000 0.000 0.250 266 T C 2.029 176.779 174.700 0.083 0.000 1.033 266 T CA 1.049 63.205 62.100 0.093 0.000 1.145 266 T CB -0.611 68.365 68.868 0.180 0.000 0.866 266 T HN 0.364 nan 8.240 nan 0.000 0.434 267 M N 0.185 119.831 119.600 0.077 0.000 2.279 267 M HA 0.190 4.670 4.480 0.000 0.000 0.264 267 M C 1.565 177.899 176.300 0.057 0.000 1.062 267 M CA 1.473 56.828 55.300 0.092 0.000 1.099 267 M CB -0.121 32.551 32.600 0.121 0.000 1.394 267 M HN 0.141 nan 8.290 nan 0.000 0.426 268 R N 0.628 121.148 120.500 0.034 0.000 2.606 268 R HA 0.350 4.690 4.340 0.000 0.000 0.202 268 R C -0.892 175.417 176.300 0.015 0.000 1.371 268 R CA -0.050 56.064 56.100 0.023 0.000 1.355 268 R CB 0.543 30.855 30.300 0.020 0.000 1.477 268 R HN 0.517 nan 8.270 nan 0.000 0.775 269 G N 0.103 108.914 108.800 0.018 0.000 3.107 269 G HA2 0.304 4.264 3.960 0.000 0.000 0.233 269 G HA3 0.304 4.264 3.960 0.000 0.000 0.233 269 G C 0.418 175.328 174.900 0.015 0.000 1.168 269 G CA -0.499 44.609 45.100 0.014 0.000 0.801 269 G HN 0.080 nan 8.290 nan 0.000 0.605 270 I N -0.392 120.186 120.570 0.014 0.000 2.494 270 I HA 0.142 4.312 4.170 0.000 0.000 0.250 270 I C 0.036 176.162 176.117 0.016 0.000 1.112 270 I CA 0.770 62.078 61.300 0.012 0.000 1.438 270 I CB 0.243 38.248 38.000 0.008 0.000 1.111 270 I HN -0.074 nan 8.210 nan 0.000 0.431 271 V N 1.066 120.992 119.914 0.019 0.000 2.656 271 V HA 0.316 4.436 4.120 0.000 0.000 0.307 271 V C -0.731 175.381 176.094 0.029 0.000 1.051 271 V CA -0.935 61.378 62.300 0.021 0.000 0.893 271 V CB 1.736 33.568 31.823 0.015 0.000 0.999 271 V HN 0.067 nan 8.190 nan 0.000 0.426 272 K N 3.494 123.911 120.400 0.029 0.000 2.263 272 K HA 0.736 5.056 4.320 0.000 0.000 0.272 272 K C -0.535 176.070 176.600 0.009 0.000 1.033 272 K CA -0.282 56.024 56.287 0.032 0.000 0.884 272 K CB 1.626 34.145 32.500 0.031 0.000 1.107 272 K HN 0.721 nan 8.250 nan 0.000 0.460 273 V N -1.048 118.856 119.914 -0.017 0.000 3.202 273 V HA 0.978 5.098 4.120 0.000 0.000 0.306 273 V C -1.388 174.510 176.094 -0.326 0.000 1.283 273 V CA -1.015 61.221 62.300 -0.106 0.000 1.065 273 V CB 1.877 33.653 31.823 -0.080 0.000 1.079 273 V HN 0.688 nan 8.190 nan 0.000 0.448 274 A N 0.411 122.904 122.820 -0.545 0.000 2.593 274 A HA 1.112 5.432 4.320 0.000 0.000 0.290 274 A C -0.477 176.619 177.584 -0.814 0.000 1.126 274 A CA -0.417 50.864 52.037 -1.261 0.000 0.695 274 A CB 1.551 20.115 19.000 -0.727 0.000 1.290 274 A HN 2.733 nan 8.150 nan 0.000 0.414 275 A N -0.333 122.028 122.820 -0.765 0.000 2.486 275 A HA 0.816 5.136 4.320 0.000 0.000 0.300 275 A C -0.634 177.042 177.584 0.154 0.000 1.048 275 A CA 0.020 52.001 52.037 -0.093 0.000 0.696 275 A CB 1.288 20.343 19.000 0.091 0.000 1.278 275 A HN 2.340 nan 8.150 nan 0.000 0.405 276 V N -0.984 119.018 119.914 0.147 0.000 3.040 276 V HA 0.673 4.793 4.120 0.000 0.000 0.312 276 V C -0.552 175.649 176.094 0.177 0.000 1.115 276 V CA -1.222 61.192 62.300 0.190 0.000 0.998 276 V CB 1.713 33.647 31.823 0.185 0.000 1.042 276 V HN 0.849 nan 8.190 nan 0.000 0.433 277 K N 1.914 122.421 120.400 0.179 0.000 2.237 277 K HA 0.698 5.018 4.320 0.000 0.000 0.270 277 K C 0.310 177.001 176.600 0.150 0.000 1.015 277 K CA 0.146 56.520 56.287 0.146 0.000 0.949 277 K CB 1.583 34.158 32.500 0.125 0.000 0.976 277 K HN 1.089 nan 8.250 nan 0.000 0.472 278 A N 3.845 126.697 122.820 0.053 0.000 2.366 278 A HA 0.256 4.576 4.320 0.000 0.000 0.249 278 A C -2.121 175.319 177.584 -0.241 0.000 1.084 278 A CA -1.281 50.697 52.037 -0.099 0.000 0.794 278 A CB -0.378 18.584 19.000 -0.063 0.000 1.034 278 A HN 0.465 nan 8.150 nan 0.000 0.491 279 P HA 0.272 nan 4.420 nan 0.000 0.267 279 P C 0.934 178.093 177.300 -0.234 0.000 1.205 279 P CA 1.627 64.400 63.100 -0.546 0.000 0.765 279 P CB 0.388 31.615 31.700 -0.788 0.000 0.828 280 G N 3.767 112.490 108.800 -0.130 0.000 2.556 280 G HA2 -0.137 3.823 3.960 0.000 0.000 0.283 280 G HA3 -0.137 3.823 3.960 0.000 0.000 0.283 280 G C -0.419 174.484 174.900 0.004 0.000 1.177 280 G CA 0.452 45.461 45.100 -0.152 0.000 0.978 280 G HN 0.804 nan 8.290 nan 0.000 0.554 281 F N -3.850 116.080 119.950 -0.034 0.000 2.919 281 F HA 0.555 5.082 4.527 0.000 0.000 0.330 281 F C 0.838 176.628 175.800 -0.016 0.000 1.136 281 F CA 0.295 58.282 58.000 -0.023 0.000 0.901 281 F CB 0.310 39.306 39.000 -0.008 0.000 1.321 281 F HN 2.524 nan 8.300 nan 0.000 0.449 282 G N 1.514 110.487 108.800 0.288 0.000 2.564 282 G HA2 -0.305 3.655 3.960 0.000 0.000 0.273 282 G HA3 -0.305 3.655 3.960 0.000 0.000 0.273 282 G C 0.602 175.524 174.900 0.037 0.000 1.242 282 G CA 0.837 46.041 45.100 0.172 0.000 0.951 282 G HN 1.701 nan 8.290 nan 0.000 0.564 283 D N 0.216 120.621 120.400 0.007 0.000 2.263 283 D HA -0.095 4.545 4.640 0.000 0.000 0.208 283 D C 2.127 178.393 176.300 -0.056 0.000 0.971 283 D CA 1.502 55.491 54.000 -0.019 0.000 0.867 283 D CB -0.198 40.595 40.800 -0.011 0.000 0.929 283 D HN 0.383 nan 8.370 nan 0.000 0.492 284 R N 1.215 121.650 120.500 -0.109 0.000 2.193 284 R HA -0.096 4.244 4.340 0.000 0.000 0.229 284 R C 2.536 178.763 176.300 -0.122 0.000 1.110 284 R CA 1.328 57.343 56.100 -0.142 0.000 0.988 284 R CB -0.503 29.645 30.300 -0.253 0.000 0.871 284 R HN 0.434 nan 8.270 nan 0.000 0.458 285 R N 0.007 120.450 120.500 -0.095 0.000 2.148 285 R HA -0.054 4.286 4.340 0.000 0.000 0.227 285 R C 1.238 177.494 176.300 -0.074 0.000 1.103 285 R CA 0.921 56.969 56.100 -0.087 0.000 0.983 285 R CB -0.225 30.047 30.300 -0.046 0.000 0.874 285 R HN 0.008 nan 8.270 nan 0.000 0.451 286 K N 1.438 121.806 120.400 -0.054 0.000 1.978 286 K HA -0.098 4.223 4.320 0.000 0.000 0.214 286 K C 2.284 178.860 176.600 -0.040 0.000 1.049 286 K CA 1.833 58.097 56.287 -0.038 0.000 0.939 286 K CB -0.581 31.902 32.500 -0.028 0.000 0.721 286 K HN 0.309 nan 8.250 nan 0.000 0.441 287 A N 1.532 124.326 122.820 -0.044 0.000 1.930 287 A HA -0.111 4.209 4.320 0.000 0.000 0.217 287 A C 2.265 179.822 177.584 -0.044 0.000 1.175 287 A CA 1.386 53.399 52.037 -0.039 0.000 0.627 287 A CB -0.374 18.603 19.000 -0.039 0.000 0.815 287 A HN 0.194 nan 8.150 nan 0.000 0.443 288 M N -1.320 118.241 119.600 -0.066 0.000 2.159 288 M HA -0.113 4.367 4.480 0.000 0.000 0.263 288 M C 2.192 178.449 176.300 -0.071 0.000 1.063 288 M CA 1.222 56.474 55.300 -0.080 0.000 1.110 288 M CB -0.793 31.724 32.600 -0.138 0.000 1.374 288 M HN 0.455 nan 8.290 nan 0.000 0.411 289 L N 0.513 121.695 121.223 -0.068 0.000 2.083 289 L HA -0.212 4.128 4.340 0.000 0.000 0.209 289 L C 2.483 179.343 176.870 -0.018 0.000 1.083 289 L CA 1.828 56.642 54.840 -0.044 0.000 0.752 289 L CB -0.597 41.439 42.059 -0.038 0.000 0.899 289 L HN 0.263 nan 8.230 nan 0.000 0.433 290 Q N -0.716 119.073 119.800 -0.018 0.000 2.172 290 Q HA -0.157 4.183 4.340 0.000 0.000 0.200 290 Q C 1.705 177.704 176.000 -0.002 0.000 0.964 290 Q CA 1.507 57.306 55.803 -0.007 0.000 0.855 290 Q CB -0.105 28.627 28.738 -0.010 0.000 0.918 290 Q HN 0.514 nan 8.270 nan 0.000 0.444 291 D N -0.095 120.302 120.400 -0.005 0.000 2.097 291 D HA -0.149 4.491 4.640 0.000 0.000 0.195 291 D C 1.801 178.112 176.300 0.020 0.000 0.989 291 D CA 1.300 55.303 54.000 0.004 0.000 0.827 291 D CB -0.167 40.634 40.800 0.001 0.000 0.966 291 D HN 0.362 nan 8.370 nan 0.000 0.456 292 I N 1.353 121.938 120.570 0.026 0.000 2.226 292 I HA -0.235 3.935 4.170 0.000 0.000 0.245 292 I C 2.555 178.698 176.117 0.042 0.000 1.100 292 I CA 0.959 62.289 61.300 0.050 0.000 1.374 292 I CB -0.255 37.785 38.000 0.067 0.000 1.057 292 I HN -0.087 nan 8.210 nan 0.000 0.413 293 A N 0.555 123.392 122.820 0.029 0.000 1.883 293 A HA -0.235 4.085 4.320 0.000 0.000 0.217 293 A C 2.401 180.001 177.584 0.026 0.000 1.186 293 A CA 2.692 54.746 52.037 0.027 0.000 0.624 293 A CB -1.204 17.807 19.000 0.017 0.000 0.822 293 A HN 0.401 nan 8.150 nan 0.000 0.444 294 T N -0.077 114.489 114.554 0.020 0.000 2.821 294 T HA -0.094 4.256 4.350 0.000 0.000 0.267 294 T C 1.828 176.539 174.700 0.019 0.000 1.046 294 T CA 1.355 63.465 62.100 0.017 0.000 1.139 294 T CB -0.342 68.532 68.868 0.011 0.000 0.871 294 T HN 0.318 nan 8.240 nan 0.000 0.454 295 L N 2.012 123.249 121.223 0.023 0.000 2.017 295 L HA -0.087 4.253 4.340 0.000 0.000 0.208 295 L C 2.563 179.448 176.870 0.025 0.000 1.073 295 L CA 2.305 57.160 54.840 0.024 0.000 0.745 295 L CB -1.164 40.913 42.059 0.031 0.000 0.894 295 L HN 0.419 nan 8.230 nan 0.000 0.432 296 T N -4.479 110.095 114.554 0.034 0.000 3.051 296 T HA 0.333 4.683 4.350 0.000 0.000 0.255 296 T C 1.521 176.246 174.700 0.042 0.000 1.085 296 T CA 0.486 62.609 62.100 0.038 0.000 1.109 296 T CB 0.012 68.911 68.868 0.052 0.000 0.921 296 T HN 0.669 nan 8.240 nan 0.000 0.488 297 G N 0.618 109.442 108.800 0.040 0.000 2.176 297 G HA2 -0.025 3.935 3.960 0.000 0.000 0.232 297 G HA3 -0.025 3.935 3.960 0.000 0.000 0.232 297 G C 0.472 175.402 174.900 0.051 0.000 0.986 297 G CA -0.101 45.025 45.100 0.044 0.000 0.643 297 G HN 0.973 nan 8.290 nan 0.000 0.522 298 G N -0.841 107.990 108.800 0.052 0.000 2.563 298 G HA2 0.584 4.544 3.960 0.000 0.000 0.283 298 G HA3 0.584 4.544 3.960 0.000 0.000 0.283 298 G C -0.102 174.815 174.900 0.029 0.000 1.309 298 G CA 0.623 45.752 45.100 0.047 0.000 1.022 298 G HN 0.645 nan 8.290 nan 0.000 0.501 299 T N -0.224 114.342 114.554 0.021 0.000 2.829 299 T HA 0.383 4.733 4.350 0.000 0.000 0.280 299 T C 0.341 175.047 174.700 0.010 0.000 0.999 299 T CA -0.355 61.752 62.100 0.012 0.000 0.983 299 T CB 1.585 70.457 68.868 0.006 0.000 0.968 299 T HN 0.862 nan 8.240 nan 0.000 0.446 300 V N 1.733 121.650 119.914 0.007 0.000 2.242 300 V HA 0.348 4.468 4.120 0.000 0.000 0.242 300 V C 0.038 176.133 176.094 0.002 0.000 1.240 300 V CA -0.509 61.792 62.300 0.003 0.000 1.211 300 V CB -1.675 30.148 31.823 -0.001 0.000 1.338 300 V HN 0.684 nan 8.190 nan 0.000 0.499 301 I N 4.320 124.891 120.570 0.002 0.000 2.573 301 I HA 0.165 4.335 4.170 0.000 0.000 0.295 301 I C 0.829 176.947 176.117 0.001 0.000 1.141 301 I CA 1.228 62.529 61.300 0.000 0.000 1.364 301 I CB -0.367 37.632 38.000 -0.001 0.000 1.447 301 I HN 0.568 nan 8.210 nan 0.000 0.571 302 S N 5.397 121.098 115.700 0.001 0.000 2.498 302 S HA 0.268 4.738 4.470 0.000 0.000 0.317 302 S C 0.904 175.505 174.600 0.002 0.000 1.090 302 S CA -0.754 57.447 58.200 0.002 0.000 1.089 302 S CB 1.424 64.624 63.200 0.000 0.000 0.997 302 S HN 0.497 nan 8.310 nan 0.000 0.470 303 E N 1.916 122.118 120.200 0.004 0.000 2.510 303 E HA -0.129 4.222 4.350 0.000 0.000 0.202 303 E C 0.540 177.143 176.600 0.004 0.000 1.072 303 E CA 0.777 57.180 56.400 0.005 0.000 0.883 303 E CB 0.110 29.814 29.700 0.007 0.000 0.818 303 E HN 0.696 nan 8.360 nan 0.000 0.548 304 E N -0.227 119.975 120.200 0.003 0.000 2.472 304 E HA 0.114 4.464 4.350 0.000 0.000 0.196 304 E C 1.108 177.709 176.600 0.001 0.000 1.033 304 E CA 0.077 56.479 56.400 0.003 0.000 0.886 304 E CB 0.432 30.134 29.700 0.003 0.000 0.944 304 E HN 0.219 nan 8.360 nan 0.000 0.492 305 I N -1.306 119.264 120.570 0.001 0.000 3.966 305 I HA 0.311 4.482 4.170 0.000 0.000 0.324 305 I C 1.181 177.298 176.117 -0.000 0.000 1.517 305 I CA -0.056 61.244 61.300 0.000 0.000 1.117 305 I CB 0.905 38.905 38.000 -0.000 0.000 1.190 305 I HN 0.122 nan 8.210 nan 0.000 0.466 306 G N 2.551 111.351 108.800 0.000 0.000 2.412 306 G HA2 -0.365 3.595 3.960 0.000 0.000 0.252 306 G HA3 -0.365 3.595 3.960 0.000 0.000 0.252 306 G C 0.608 175.508 174.900 -0.001 0.000 1.038 306 G CA 0.638 45.738 45.100 -0.000 0.000 0.628 306 G HN 0.525 nan 8.290 nan 0.000 0.531 307 M N -0.214 119.385 119.600 -0.001 0.000 2.250 307 M HA 0.717 5.197 4.480 0.000 0.000 0.325 307 M C 0.048 176.347 176.300 -0.001 0.000 1.084 307 M CA 0.584 55.883 55.300 -0.002 0.000 1.161 307 M CB 1.097 33.696 32.600 -0.002 0.000 1.481 307 M HN 0.239 nan 8.290 nan 0.000 0.449 308 E N 2.089 122.287 120.200 -0.003 0.000 2.388 308 E HA 0.233 4.583 4.350 0.000 0.000 0.280 308 E C -0.649 175.949 176.600 -0.004 0.000 1.019 308 E CA -0.509 55.890 56.400 -0.002 0.000 0.806 308 E CB 1.755 31.454 29.700 -0.001 0.000 1.246 308 E HN 1.003 nan 8.360 nan 0.000 0.443 309 L N 1.980 123.200 121.223 -0.004 0.000 2.201 309 L HA -0.082 4.258 4.340 0.000 0.000 0.212 309 L C 2.064 178.928 176.870 -0.010 0.000 1.105 309 L CA 1.025 55.861 54.840 -0.007 0.000 0.775 309 L CB -0.143 41.914 42.059 -0.004 0.000 0.913 309 L HN 0.599 nan 8.230 nan 0.000 0.440 310 E N 0.252 120.447 120.200 -0.008 0.000 2.219 310 E HA -0.252 4.098 4.350 0.000 0.000 0.198 310 E C 1.322 177.914 176.600 -0.013 0.000 0.998 310 E CA 1.145 57.539 56.400 -0.010 0.000 0.818 310 E CB 0.075 29.770 29.700 -0.007 0.000 0.741 310 E HN 0.297 nan 8.360 nan 0.000 0.477 311 K N -0.300 120.093 120.400 -0.012 0.000 2.387 311 K HA 0.209 4.530 4.320 0.000 0.000 0.198 311 K C 0.062 176.653 176.600 -0.016 0.000 1.022 311 K CA -0.009 56.270 56.287 -0.013 0.000 1.128 311 K CB 0.780 33.274 32.500 -0.009 0.000 0.853 311 K HN 0.043 nan 8.250 nan 0.000 0.523 312 A N 0.164 122.972 122.820 -0.020 0.000 2.280 312 A HA 0.618 4.938 4.320 0.000 0.000 0.268 312 A C 0.127 177.688 177.584 -0.037 0.000 1.111 312 A CA 0.127 52.148 52.037 -0.027 0.000 0.814 312 A CB 0.423 19.406 19.000 -0.029 0.000 1.093 312 A HN 0.189 nan 8.150 nan 0.000 0.498 313 T N -0.979 113.545 114.554 -0.049 0.000 2.749 313 T HA 0.342 4.692 4.350 0.000 0.000 0.310 313 T C 0.735 175.379 174.700 -0.094 0.000 1.496 313 T CA -0.589 61.474 62.100 -0.063 0.000 1.006 313 T CB 0.679 69.520 68.868 -0.044 0.000 1.457 313 T HN 0.352 nan 8.240 nan 0.000 0.497 314 L N 1.412 122.560 121.223 -0.124 0.000 2.151 314 L HA -0.186 4.154 4.340 0.000 0.000 0.215 314 L C 2.671 179.460 176.870 -0.136 0.000 1.084 314 L CA 2.132 56.854 54.840 -0.197 0.000 0.764 314 L CB -0.783 41.175 42.059 -0.169 0.000 0.891 314 L HN 0.863 nan 8.230 nan 0.000 0.435 315 E N -0.981 119.182 120.200 -0.063 0.000 2.265 315 E HA -0.234 4.116 4.350 0.000 0.000 0.196 315 E C 0.882 177.477 176.600 -0.007 0.000 0.996 315 E CA 1.462 57.852 56.400 -0.018 0.000 0.832 315 E CB -0.339 29.354 29.700 -0.011 0.000 0.756 315 E HN 0.563 nan 8.360 nan 0.000 0.491 316 D N 0.403 120.787 120.400 -0.027 0.000 2.350 316 D HA 0.085 4.725 4.640 0.000 0.000 0.213 316 D C -0.222 176.080 176.300 0.003 0.000 1.031 316 D CA 0.209 54.202 54.000 -0.011 0.000 0.861 316 D CB 0.351 41.139 40.800 -0.021 0.000 0.926 316 D HN 0.152 nan 8.370 nan 0.000 0.520 317 L N 0.927 122.149 121.223 -0.002 0.000 2.265 317 L HA 0.384 4.724 4.340 0.000 0.000 0.289 317 L C 1.103 178.092 176.870 0.198 0.000 1.033 317 L CA -0.413 54.459 54.840 0.053 0.000 0.814 317 L CB 1.723 43.727 42.059 -0.092 0.000 1.203 317 L HN -0.207 nan 8.230 nan 0.000 0.423 318 G N 2.428 111.329 108.800 0.170 0.000 2.588 318 G HA2 0.580 4.540 3.960 0.000 0.000 0.281 318 G HA3 0.580 4.540 3.960 0.000 0.000 0.281 318 G C -0.684 174.315 174.900 0.166 0.000 1.236 318 G CA -0.307 44.884 45.100 0.151 0.000 0.969 318 G HN 0.544 nan 8.290 nan 0.000 0.504 319 Q N -1.801 118.031 119.800 0.055 0.000 2.495 319 Q HA 0.624 4.965 4.340 0.000 0.000 0.287 319 Q C -0.999 174.984 176.000 -0.028 0.000 1.078 319 Q CA -0.932 54.847 55.803 -0.039 0.000 0.793 319 Q CB 2.625 31.255 28.738 -0.180 0.000 1.459 319 Q HN 0.790 nan 8.270 nan 0.000 0.422 320 A N 0.589 123.382 122.820 -0.045 0.000 2.449 320 A HA 0.397 4.717 4.320 0.000 0.000 0.302 320 A C -0.172 177.381 177.584 -0.052 0.000 1.048 320 A CA -0.619 51.397 52.037 -0.035 0.000 0.708 320 A CB 1.334 20.324 19.000 -0.016 0.000 1.274 320 A HN 0.747 nan 8.150 nan 0.000 0.410 321 K N 0.117 120.490 120.400 -0.045 0.000 2.103 321 K HA -0.080 4.240 4.320 0.000 0.000 0.207 321 K C 0.526 177.100 176.600 -0.044 0.000 1.048 321 K CA 1.270 57.528 56.287 -0.048 0.000 0.930 321 K CB 0.046 32.523 32.500 -0.038 0.000 0.716 321 K HN 0.588 nan 8.250 nan 0.000 0.444 322 R N -0.164 120.314 120.500 -0.036 0.000 2.725 322 R HA 0.401 4.741 4.340 0.000 0.000 0.277 322 R C -1.747 174.534 176.300 -0.032 0.000 0.987 322 R CA -0.507 55.573 56.100 -0.033 0.000 0.901 322 R CB 2.747 33.031 30.300 -0.028 0.000 1.207 322 R HN -0.139 nan 8.270 nan 0.000 0.463 323 V N 3.873 123.770 119.914 -0.029 0.000 2.656 323 V HA 0.731 4.851 4.120 0.000 0.000 0.307 323 V C -1.159 174.922 176.094 -0.021 0.000 1.051 323 V CA -0.498 61.785 62.300 -0.030 0.000 0.893 323 V CB 2.054 33.863 31.823 -0.024 0.000 0.999 323 V HN 0.576 nan 8.190 nan 0.000 0.426 324 V N 4.840 124.738 119.914 -0.026 0.000 2.789 324 V HA 0.839 4.959 4.120 0.000 0.000 0.311 324 V C -1.063 175.030 176.094 -0.002 0.000 1.073 324 V CA -0.676 61.622 62.300 -0.003 0.000 0.921 324 V CB 1.794 33.620 31.823 0.004 0.000 1.009 324 V HN 0.765 nan 8.190 nan 0.000 0.426 325 I N 4.228 124.828 120.570 0.050 0.000 2.769 325 I HA 0.666 4.836 4.170 0.000 0.000 0.298 325 I C -0.305 175.908 176.117 0.160 0.000 1.128 325 I CA -0.232 61.119 61.300 0.086 0.000 1.031 325 I CB 2.307 40.393 38.000 0.143 0.000 1.235 325 I HN 1.011 nan 8.210 nan 0.000 0.423 326 N N 3.917 122.687 118.700 0.117 0.000 3.379 326 N HA 0.319 5.059 4.740 0.000 0.000 0.350 326 N C 0.651 176.001 175.510 -0.267 0.000 1.553 326 N CA -0.743 52.387 53.050 0.133 0.000 0.712 326 N CB 0.564 39.108 38.487 0.095 0.000 1.880 326 N HN 0.548 nan 8.380 nan 0.000 0.648 327 K N -0.588 119.594 120.400 -0.363 0.000 2.173 327 K HA -0.230 4.090 4.320 0.000 0.000 0.207 327 K C -0.027 176.319 176.600 -0.425 0.000 1.046 327 K CA 2.747 58.657 56.287 -0.628 0.000 0.929 327 K CB -0.246 32.139 32.500 -0.191 0.000 0.720 327 K HN 0.769 nan 8.250 nan 0.000 0.453 328 D N -3.128 117.149 120.400 -0.205 0.000 2.410 328 D HA 0.058 4.698 4.640 0.000 0.000 0.275 328 D C -0.451 175.830 176.300 -0.032 0.000 1.152 328 D CA -0.410 53.538 54.000 -0.086 0.000 0.825 328 D CB 0.824 41.605 40.800 -0.031 0.000 1.312 328 D HN -0.116 nan 8.370 nan 0.000 0.532 329 T N -0.165 114.363 114.554 -0.045 0.000 2.912 329 T HA 0.626 4.976 4.350 0.000 0.000 0.299 329 T C -1.061 173.569 174.700 -0.117 0.000 1.052 329 T CA -0.514 61.549 62.100 -0.060 0.000 0.996 329 T CB 2.167 71.016 68.868 -0.033 0.000 1.070 329 T HN -0.104 nan 8.240 nan 0.000 0.465 330 T N 1.926 116.312 114.554 -0.280 0.000 2.863 330 T HA 0.738 5.088 4.350 0.000 0.000 0.285 330 T C -0.657 173.744 174.700 -0.498 0.000 1.009 330 T CA -0.562 61.313 62.100 -0.376 0.000 0.989 330 T CB 1.836 70.416 68.868 -0.480 0.000 1.004 330 T HN 0.611 nan 8.240 nan 0.000 0.455 331 T N 2.736 117.112 114.554 -0.296 0.000 2.993 331 T HA 0.669 5.019 4.350 0.000 0.000 0.312 331 T C -1.240 173.377 174.700 -0.138 0.000 1.115 331 T CA -0.779 61.182 62.100 -0.232 0.000 1.027 331 T CB 0.356 69.130 68.868 -0.156 0.000 1.116 331 T HN 0.607 nan 8.240 nan 0.000 0.464 332 I N 2.983 123.491 120.570 -0.103 0.000 2.474 332 I HA 0.729 4.899 4.170 0.000 0.000 0.294 332 I C -0.988 175.109 176.117 -0.033 0.000 1.005 332 I CA -1.222 60.050 61.300 -0.048 0.000 1.113 332 I CB 1.827 39.819 38.000 -0.013 0.000 1.289 332 I HN 0.513 nan 8.210 nan 0.000 0.436 333 I N 4.132 124.685 120.570 -0.028 0.000 2.447 333 I HA 0.309 4.479 4.170 0.000 0.000 0.287 333 I C -0.879 175.225 176.117 -0.021 0.000 1.023 333 I CA -0.518 60.768 61.300 -0.024 0.000 1.083 333 I CB 1.618 39.602 38.000 -0.028 0.000 1.245 333 I HN 0.700 nan 8.210 nan 0.000 0.434 334 D N 5.189 125.580 120.400 -0.016 0.000 3.617 334 D HA -0.129 4.511 4.640 0.000 0.000 0.226 334 D C 0.277 176.569 176.300 -0.014 0.000 1.125 334 D CA 0.953 54.944 54.000 -0.014 0.000 1.083 334 D CB -0.010 40.779 40.800 -0.017 0.000 0.833 334 D HN 0.850 nan 8.370 nan 0.000 0.399 335 G N 1.673 110.470 108.800 -0.005 0.000 2.398 335 G HA2 0.334 4.294 3.960 0.000 0.000 0.246 335 G HA3 0.334 4.294 3.960 0.000 0.000 0.246 335 G C 1.338 176.236 174.900 -0.003 0.000 1.289 335 G CA -0.375 44.724 45.100 0.000 0.000 0.869 335 G HN 0.417 nan 8.290 nan 0.000 0.543 336 V N 3.012 122.922 119.914 -0.007 0.000 3.592 336 V HA 0.075 4.196 4.120 0.000 0.000 0.272 336 V C 2.008 178.105 176.094 0.004 0.000 1.228 336 V CA 0.612 62.906 62.300 -0.010 0.000 1.173 336 V CB -0.968 30.838 31.823 -0.029 0.000 0.873 336 V HN 0.794 nan 8.190 nan 0.000 0.476 337 G N 0.585 109.392 108.800 0.012 0.000 2.554 337 G HA2 0.162 4.122 3.960 0.000 0.000 0.238 337 G HA3 0.162 4.122 3.960 0.000 0.000 0.238 337 G C -0.043 174.863 174.900 0.009 0.000 1.259 337 G CA -0.359 44.750 45.100 0.015 0.000 0.843 337 G HN 0.313 nan 8.290 nan 0.000 0.582 338 E N 1.113 121.319 120.200 0.010 0.000 2.344 338 E HA 0.043 4.393 4.350 0.000 0.000 0.270 338 E C 0.959 177.562 176.600 0.005 0.000 1.021 338 E CA -0.370 56.034 56.400 0.007 0.000 0.887 338 E CB 1.245 30.950 29.700 0.008 0.000 0.997 338 E HN 0.503 nan 8.360 nan 0.000 0.429 339 E N 1.963 122.165 120.200 0.003 0.000 2.204 339 E HA -0.149 4.201 4.350 0.000 0.000 0.195 339 E C 1.674 178.275 176.600 0.002 0.000 0.990 339 E CA 0.975 57.376 56.400 0.002 0.000 0.821 339 E CB -0.156 29.544 29.700 0.000 0.000 0.750 339 E HN 0.582 nan 8.360 nan 0.000 0.477 340 A N 1.232 124.053 122.820 0.002 0.000 2.024 340 A HA -0.106 4.214 4.320 0.000 0.000 0.220 340 A C 2.324 179.909 177.584 0.003 0.000 1.164 340 A CA 1.969 54.007 52.037 0.002 0.000 0.643 340 A CB -0.315 18.686 19.000 0.002 0.000 0.806 340 A HN 0.275 nan 8.150 nan 0.000 0.451 341 A N -0.353 122.470 122.820 0.004 0.000 1.887 341 A HA 0.180 4.500 4.320 0.000 0.000 0.212 341 A C 2.076 179.663 177.584 0.004 0.000 1.198 341 A CA 1.007 53.047 52.037 0.005 0.000 0.628 341 A CB -0.406 18.598 19.000 0.007 0.000 0.847 341 A HN 0.422 nan 8.150 nan 0.000 0.449 342 I N -0.200 120.373 120.570 0.005 0.000 2.163 342 I HA -0.240 3.930 4.170 0.000 0.000 0.240 342 I C 2.522 178.641 176.117 0.003 0.000 1.081 342 I CA 1.154 62.457 61.300 0.005 0.000 1.353 342 I CB -0.415 37.588 38.000 0.005 0.000 1.054 342 I HN 0.291 nan 8.210 nan 0.000 0.407 343 Q N 0.766 120.567 119.800 0.001 0.000 2.224 343 Q HA -0.070 4.270 4.340 0.000 0.000 0.203 343 Q C 2.291 178.291 176.000 -0.001 0.000 0.970 343 Q CA 1.530 57.333 55.803 -0.000 0.000 0.865 343 Q CB -0.774 27.963 28.738 -0.001 0.000 0.922 343 Q HN 0.603 nan 8.270 nan 0.000 0.445 344 G N 0.855 109.655 108.800 -0.000 0.000 2.408 344 G HA2 -0.277 3.683 3.960 0.000 0.000 0.217 344 G HA3 -0.277 3.683 3.960 0.000 0.000 0.217 344 G C 1.708 176.607 174.900 -0.001 0.000 1.150 344 G CA 0.691 45.791 45.100 -0.001 0.000 0.776 344 G HN 0.237 nan 8.290 nan 0.000 0.542 345 R N 0.260 120.759 120.500 -0.000 0.000 2.092 345 R HA 0.051 4.392 4.340 0.000 0.000 0.231 345 R C 2.610 178.909 176.300 -0.002 0.000 1.119 345 R CA 1.077 57.177 56.100 -0.001 0.000 0.970 345 R CB -0.855 29.446 30.300 0.001 0.000 0.864 345 R HN 0.200 nan 8.270 nan 0.000 0.440 346 V N 0.816 120.729 119.914 -0.002 0.000 2.282 346 V HA -0.283 3.837 4.120 0.000 0.000 0.249 346 V C 2.335 178.426 176.094 -0.005 0.000 1.057 346 V CA 2.109 64.407 62.300 -0.003 0.000 1.032 346 V CB -1.028 30.793 31.823 -0.003 0.000 0.645 346 V HN 0.526 nan 8.190 nan 0.000 0.447 347 A N -1.002 121.816 122.820 -0.004 0.000 1.902 347 A HA -0.298 4.022 4.320 0.000 0.000 0.217 347 A C 2.171 179.752 177.584 -0.006 0.000 1.181 347 A CA 2.020 54.054 52.037 -0.005 0.000 0.623 347 A CB -0.501 18.497 19.000 -0.003 0.000 0.818 347 A HN 0.639 nan 8.150 nan 0.000 0.443 348 Q N -0.644 119.153 119.800 -0.005 0.000 2.124 348 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 348 Q C 1.962 177.957 176.000 -0.009 0.000 0.977 348 Q CA 1.491 57.291 55.803 -0.007 0.000 0.850 348 Q CB -0.300 28.434 28.738 -0.006 0.000 0.901 348 Q HN 0.760 nan 8.270 nan 0.000 0.429 349 I N 0.201 120.765 120.570 -0.010 0.000 2.252 349 I HA -0.257 3.913 4.170 0.000 0.000 0.245 349 I C 2.320 178.429 176.117 -0.014 0.000 1.102 349 I CA 0.867 62.158 61.300 -0.014 0.000 1.385 349 I CB -0.192 37.800 38.000 -0.014 0.000 1.064 349 I HN 0.126 nan 8.210 nan 0.000 0.414 350 R N 0.450 120.943 120.500 -0.011 0.000 2.096 350 R HA -0.220 4.120 4.340 0.000 0.000 0.235 350 R C 2.172 178.466 176.300 -0.010 0.000 1.127 350 R CA 1.338 57.431 56.100 -0.011 0.000 0.968 350 R CB -0.621 29.674 30.300 -0.008 0.000 0.861 350 R HN 0.528 nan 8.270 nan 0.000 0.440 351 Q N 0.913 120.707 119.800 -0.009 0.000 2.167 351 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 351 Q C 1.663 177.657 176.000 -0.009 0.000 0.970 351 Q CA 1.336 57.134 55.803 -0.008 0.000 0.855 351 Q CB 0.153 28.887 28.738 -0.007 0.000 0.911 351 Q HN 0.410 nan 8.270 nan 0.000 0.438 352 Q N -0.236 119.557 119.800 -0.012 0.000 2.369 352 Q HA -0.023 4.317 4.340 0.000 0.000 0.206 352 Q C 1.770 177.761 176.000 -0.015 0.000 0.963 352 Q CA 0.595 56.390 55.803 -0.014 0.000 0.894 352 Q CB 0.202 28.929 28.738 -0.018 0.000 0.965 352 Q HN 0.457 nan 8.270 nan 0.000 0.475 353 I N 1.185 121.746 120.570 -0.015 0.000 2.546 353 I HA -0.244 3.926 4.170 0.000 0.000 0.255 353 I C 2.450 178.561 176.117 -0.010 0.000 1.163 353 I CA 1.058 62.349 61.300 -0.015 0.000 1.457 353 I CB -0.307 37.684 38.000 -0.015 0.000 1.092 353 I HN 0.326 nan 8.210 nan 0.000 0.434 354 E N 1.381 121.576 120.200 -0.008 0.000 2.153 354 E HA -0.267 4.083 4.350 0.000 0.000 0.194 354 E C 1.639 178.237 176.600 -0.004 0.000 0.988 354 E CA 1.261 57.657 56.400 -0.006 0.000 0.811 354 E CB -0.163 29.534 29.700 -0.005 0.000 0.746 354 E HN 0.405 nan 8.360 nan 0.000 0.466 355 E N 0.771 120.968 120.200 -0.005 0.000 2.153 355 E HA -0.080 4.270 4.350 0.000 0.000 0.194 355 E C 1.439 178.038 176.600 -0.001 0.000 0.988 355 E CA 1.597 57.995 56.400 -0.003 0.000 0.811 355 E CB -0.294 29.404 29.700 -0.003 0.000 0.746 355 E HN 0.500 nan 8.360 nan 0.000 0.466 356 A N -0.798 122.021 122.820 -0.002 0.000 3.420 356 A HA -0.297 4.023 4.320 0.000 0.000 0.269 356 A C 1.478 179.064 177.584 0.005 0.000 1.122 356 A CA 1.805 53.842 52.037 -0.000 0.000 1.023 356 A CB -2.560 16.440 19.000 0.000 0.000 1.099 356 A HN 0.286 nan 8.150 nan 0.000 0.860 357 T N -0.226 114.332 114.554 0.006 0.000 3.509 357 T HA 0.429 4.779 4.350 0.000 0.000 0.250 357 T C 0.283 174.993 174.700 0.017 0.000 1.076 357 T CA 1.168 63.274 62.100 0.010 0.000 0.966 357 T CB -0.577 68.296 68.868 0.007 0.000 1.046 357 T HN 1.758 nan 8.240 nan 0.000 0.591 358 S N -0.164 115.550 115.700 0.023 0.000 2.639 358 S HA 0.163 4.634 4.470 0.000 0.000 0.319 358 S C -0.629 173.998 174.600 0.045 0.000 0.991 358 S CA -0.740 57.485 58.200 0.042 0.000 0.858 358 S CB 0.836 64.070 63.200 0.056 0.000 1.068 358 S HN 0.093 nan 8.310 nan 0.000 0.458 359 D N 2.076 122.511 120.400 0.058 0.000 2.183 359 D HA 0.040 4.680 4.640 0.000 0.000 0.203 359 D C 1.263 177.609 176.300 0.077 0.000 0.969 359 D CA 1.120 55.153 54.000 0.054 0.000 0.842 359 D CB -0.018 40.814 40.800 0.054 0.000 0.957 359 D HN 0.626 nan 8.370 nan 0.000 0.484 360 Y N 1.326 121.620 120.300 -0.011 0.000 2.263 360 Y HA -0.106 4.444 4.550 0.000 0.000 0.292 360 Y C 1.597 177.486 175.900 -0.018 0.000 1.130 360 Y CA 1.223 59.315 58.100 -0.014 0.000 1.179 360 Y CB 0.112 38.563 38.460 -0.016 0.000 0.998 360 Y HN -0.078 nan 8.280 nan 0.000 0.532 361 D N -0.287 120.124 120.400 0.018 0.000 2.117 361 D HA -0.161 4.479 4.640 0.000 0.000 0.198 361 D C 2.107 178.353 176.300 -0.089 0.000 0.982 361 D CA 1.081 55.048 54.000 -0.055 0.000 0.828 361 D CB -0.125 40.680 40.800 0.008 0.000 0.967 361 D HN 0.388 nan 8.370 nan 0.000 0.464 362 R N 0.864 121.332 120.500 -0.053 0.000 2.120 362 R HA -0.109 4.231 4.340 0.000 0.000 0.234 362 R C 2.234 178.484 176.300 -0.083 0.000 1.123 362 R CA 0.715 56.784 56.100 -0.052 0.000 0.975 362 R CB -0.080 30.206 30.300 -0.024 0.000 0.866 362 R HN 0.294 nan 8.270 nan 0.000 0.446 363 E N 0.931 121.056 120.200 -0.124 0.000 2.051 363 E HA -0.224 4.126 4.350 0.000 0.000 0.192 363 E C 1.582 178.066 176.600 -0.194 0.000 0.991 363 E CA 1.381 57.687 56.400 -0.156 0.000 0.799 363 E CB 0.189 29.773 29.700 -0.193 0.000 0.748 363 E HN 0.042 nan 8.360 nan 0.000 0.449 364 K N 0.216 120.447 120.400 -0.281 0.000 2.147 364 K HA -0.081 4.239 4.320 0.000 0.000 0.205 364 K C 2.025 178.548 176.600 -0.129 0.000 1.049 364 K CA 0.731 56.882 56.287 -0.227 0.000 0.936 364 K CB -0.046 32.292 32.500 -0.270 0.000 0.722 364 K HN 0.157 nan 8.250 nan 0.000 0.446 365 L N -0.072 121.088 121.223 -0.104 0.000 2.072 365 L HA -0.161 4.179 4.340 0.000 0.000 0.205 365 L C 2.492 179.331 176.870 -0.053 0.000 1.079 365 L CA 0.916 55.717 54.840 -0.066 0.000 0.752 365 L CB -0.306 41.721 42.059 -0.053 0.000 0.906 365 L HN 0.159 nan 8.230 nan 0.000 0.436 366 Q N 0.771 120.537 119.800 -0.056 0.000 2.096 366 Q HA -0.242 4.098 4.340 0.000 0.000 0.204 366 Q C 1.930 177.906 176.000 -0.040 0.000 0.982 366 Q CA 1.806 57.583 55.803 -0.043 0.000 0.850 366 Q CB -0.093 28.620 28.738 -0.042 0.000 0.901 366 Q HN 0.445 nan 8.270 nan 0.000 0.422 367 E N -0.305 119.864 120.200 -0.052 0.000 2.058 367 E HA -0.212 4.139 4.350 0.000 0.000 0.194 367 E C 2.154 178.741 176.600 -0.022 0.000 0.997 367 E CA 1.269 57.647 56.400 -0.037 0.000 0.801 367 E CB -0.135 29.535 29.700 -0.050 0.000 0.746 367 E HN 0.335 nan 8.360 nan 0.000 0.450 368 R N 0.295 120.777 120.500 -0.030 0.000 2.120 368 R HA -0.100 4.240 4.340 0.000 0.000 0.234 368 R C 2.365 178.659 176.300 -0.011 0.000 1.123 368 R CA 0.822 56.911 56.100 -0.017 0.000 0.975 368 R CB -0.154 30.128 30.300 -0.029 0.000 0.866 368 R HN 0.053 nan 8.270 nan 0.000 0.446 369 V N 0.634 120.538 119.914 -0.016 0.000 2.323 369 V HA -0.192 3.928 4.120 0.000 0.000 0.244 369 V C 2.366 178.455 176.094 -0.008 0.000 1.041 369 V CA 1.973 64.266 62.300 -0.012 0.000 1.025 369 V CB -0.574 31.240 31.823 -0.015 0.000 0.656 369 V HN 0.391 nan 8.190 nan 0.000 0.451 370 A N -0.243 122.571 122.820 -0.010 0.000 1.855 370 A HA -0.127 4.193 4.320 0.000 0.000 0.215 370 A C 1.768 179.350 177.584 -0.002 0.000 1.191 370 A CA 1.175 53.208 52.037 -0.008 0.000 0.613 370 A CB -0.329 18.664 19.000 -0.011 0.000 0.829 370 A HN 0.405 nan 8.150 nan 0.000 0.442 371 K N -0.498 119.906 120.400 0.006 0.000 3.025 371 K HA 0.254 4.575 4.320 0.000 0.000 0.260 371 K C 0.106 176.720 176.600 0.023 0.000 1.023 371 K CA 0.245 56.544 56.287 0.019 0.000 1.194 371 K CB -0.046 32.480 32.500 0.044 0.000 1.094 371 K HN 0.458 nan 8.250 nan 0.000 0.460 372 L N -1.926 119.304 121.223 0.011 0.000 1.719 372 L HA 0.194 4.534 4.340 0.000 0.000 0.119 372 L C 1.413 178.285 176.870 0.003 0.000 1.421 372 L CA 0.810 55.656 54.840 0.011 0.000 1.093 372 L CB -0.625 41.440 42.059 0.011 0.000 2.237 372 L HN -0.041 nan 8.230 nan 0.000 0.465 373 A N -0.213 122.607 122.820 -0.000 0.000 1.935 373 A HA 0.264 4.584 4.320 0.000 0.000 0.214 373 A C 1.960 179.541 177.584 -0.005 0.000 1.178 373 A CA 1.267 53.302 52.037 -0.003 0.000 0.640 373 A CB -1.177 17.820 19.000 -0.004 0.000 0.825 373 A HN 0.549 nan 8.150 nan 0.000 0.447 374 G N -0.963 107.834 108.800 -0.006 0.000 2.403 374 G HA2 0.324 4.284 3.960 0.000 0.000 0.216 374 G HA3 0.324 4.284 3.960 0.000 0.000 0.216 374 G C 1.282 176.177 174.900 -0.009 0.000 1.154 374 G CA 0.947 46.043 45.100 -0.008 0.000 0.784 374 G HN 1.608 nan 8.290 nan 0.000 0.538 375 G N -1.352 107.444 108.800 -0.007 0.000 2.509 375 G HA2 -0.134 3.826 3.960 0.000 0.000 0.259 375 G HA3 -0.134 3.826 3.960 0.000 0.000 0.259 375 G C -0.381 174.511 174.900 -0.014 0.000 1.169 375 G CA 0.110 45.205 45.100 -0.008 0.000 0.953 375 G HN 1.064 nan 8.290 nan 0.000 0.563 376 V N 0.888 120.792 119.914 -0.017 0.000 2.577 376 V HA 0.737 4.857 4.120 0.000 0.000 0.303 376 V C 0.728 176.810 176.094 -0.021 0.000 1.042 376 V CA -0.006 62.280 62.300 -0.023 0.000 0.872 376 V CB 1.212 33.019 31.823 -0.027 0.000 0.998 376 V HN 1.974 nan 8.190 nan 0.000 0.423 377 A N 4.497 127.304 122.820 -0.022 0.000 2.316 377 A HA 0.873 5.193 4.320 0.000 0.000 0.284 377 A C -0.384 177.187 177.584 -0.022 0.000 1.115 377 A CA -0.409 51.615 52.037 -0.020 0.000 0.812 377 A CB 1.028 20.016 19.000 -0.020 0.000 1.064 377 A HN 1.390 nan 8.150 nan 0.000 0.489 378 V N 0.540 120.442 119.914 -0.019 0.000 2.686 378 V HA 0.510 4.630 4.120 0.000 0.000 0.306 378 V C -0.535 175.550 176.094 -0.015 0.000 1.065 378 V CA -0.484 61.806 62.300 -0.018 0.000 0.894 378 V CB 1.356 33.169 31.823 -0.017 0.000 1.004 378 V HN 0.675 nan 8.190 nan 0.000 0.424 379 I N 3.478 124.040 120.570 -0.013 0.000 2.281 379 I HA 0.304 4.474 4.170 0.000 0.000 0.293 379 I C 0.541 176.653 176.117 -0.009 0.000 1.085 379 I CA -0.263 61.031 61.300 -0.011 0.000 1.257 379 I CB 0.846 38.840 38.000 -0.009 0.000 1.430 379 I HN 0.622 nan 8.210 nan 0.000 0.489 380 K N 5.699 126.094 120.400 -0.010 0.000 2.245 380 K HA 0.182 4.502 4.320 0.000 0.000 0.281 380 K C -0.420 176.175 176.600 -0.008 0.000 1.079 380 K CA -0.245 56.036 56.287 -0.009 0.000 1.000 380 K CB 0.371 32.865 32.500 -0.010 0.000 1.038 380 K HN 0.374 nan 8.250 nan 0.000 0.430 381 V N 2.688 122.598 119.914 -0.007 0.000 2.529 381 V HA 0.107 4.227 4.120 0.000 0.000 0.292 381 V C 0.991 177.081 176.094 -0.006 0.000 1.028 381 V CA -0.229 62.068 62.300 -0.005 0.000 1.074 381 V CB 0.910 32.731 31.823 -0.004 0.000 0.958 381 V HN 0.840 nan 8.190 nan 0.000 0.481 382 G N 2.872 111.669 108.800 -0.006 0.000 2.452 382 G HA2 0.844 4.804 3.960 0.000 0.000 0.324 382 G HA3 0.844 4.804 3.960 0.000 0.000 0.324 382 G C -0.597 174.300 174.900 -0.005 0.000 1.214 382 G CA 0.082 45.178 45.100 -0.006 0.000 0.947 382 G HN 1.255 nan 8.290 nan 0.000 0.478 383 A N 0.250 123.067 122.820 -0.005 0.000 2.511 383 A HA 0.778 5.098 4.320 0.000 0.000 0.293 383 A C 0.710 178.291 177.584 -0.005 0.000 1.098 383 A CA 0.320 52.354 52.037 -0.005 0.000 0.643 383 A CB 0.291 19.288 19.000 -0.005 0.000 1.302 383 A HN 1.914 nan 8.150 nan 0.000 0.446 384 A N -0.817 122.000 122.820 -0.005 0.000 2.167 384 A HA 0.500 4.820 4.320 0.000 0.000 0.214 384 A C 0.980 178.561 177.584 -0.005 0.000 1.151 384 A CA 2.039 54.073 52.037 -0.005 0.000 0.735 384 A CB -0.327 18.670 19.000 -0.005 0.000 0.802 384 A HN 2.058 nan 8.150 nan 0.000 0.467 385 T N -2.767 111.784 114.554 -0.005 0.000 2.830 385 T HA 0.229 4.580 4.350 0.000 0.000 0.322 385 T C 0.346 175.043 174.700 -0.006 0.000 1.501 385 T CA -0.114 61.983 62.100 -0.005 0.000 1.036 385 T CB 1.258 70.123 68.868 -0.005 0.000 1.379 385 T HN 0.226 nan 8.240 nan 0.000 0.493 386 E N 1.183 121.379 120.200 -0.006 0.000 2.160 386 E HA -0.111 4.239 4.350 0.000 0.000 0.195 386 E C 1.709 178.305 176.600 -0.007 0.000 0.991 386 E CA 1.679 58.075 56.400 -0.007 0.000 0.810 386 E CB 0.058 29.754 29.700 -0.007 0.000 0.742 386 E HN 0.499 nan 8.360 nan 0.000 0.466 387 V N 0.741 120.651 119.914 -0.006 0.000 2.453 387 V HA -0.184 3.936 4.120 0.000 0.000 0.247 387 V C 2.308 178.399 176.094 -0.006 0.000 1.048 387 V CA 1.903 64.199 62.300 -0.006 0.000 1.049 387 V CB -0.414 31.405 31.823 -0.006 0.000 0.672 387 V HN 0.284 nan 8.190 nan 0.000 0.457 388 E N -0.126 120.071 120.200 -0.005 0.000 2.107 388 E HA -0.210 4.140 4.350 0.000 0.000 0.191 388 E C 2.238 178.835 176.600 -0.005 0.000 0.982 388 E CA 1.061 57.458 56.400 -0.005 0.000 0.809 388 E CB -0.114 29.583 29.700 -0.005 0.000 0.756 388 E HN 0.475 nan 8.360 nan 0.000 0.459 389 M N 0.925 120.522 119.600 -0.005 0.000 2.108 389 M HA -0.197 4.283 4.480 0.000 0.000 0.261 389 M C 1.546 177.843 176.300 -0.005 0.000 1.066 389 M CA 1.730 57.028 55.300 -0.005 0.000 1.107 389 M CB -0.177 32.420 32.600 -0.006 0.000 1.356 389 M HN -0.067 nan 8.290 nan 0.000 0.406 390 K N -0.242 120.155 120.400 -0.005 0.000 2.296 390 K HA -0.104 4.216 4.320 0.000 0.000 0.200 390 K C 1.996 178.594 176.600 -0.004 0.000 1.048 390 K CA 0.730 57.014 56.287 -0.005 0.000 0.966 390 K CB -0.083 32.413 32.500 -0.006 0.000 0.754 390 K HN 0.347 nan 8.250 nan 0.000 0.466 391 E N 1.857 122.055 120.200 -0.004 0.000 2.051 391 E HA -0.226 4.124 4.350 0.000 0.000 0.192 391 E C 1.812 178.410 176.600 -0.003 0.000 0.991 391 E CA 1.420 57.817 56.400 -0.004 0.000 0.799 391 E CB 0.146 29.843 29.700 -0.005 0.000 0.748 391 E HN 0.137 nan 8.360 nan 0.000 0.449 392 K N 0.776 121.175 120.400 -0.003 0.000 2.097 392 K HA -0.163 4.157 4.320 0.000 0.000 0.206 392 K C 2.352 178.953 176.600 0.001 0.000 1.049 392 K CA 1.329 57.615 56.287 -0.002 0.000 0.933 392 K CB -0.051 32.447 32.500 -0.003 0.000 0.717 392 K HN -0.063 nan 8.250 nan 0.000 0.442 393 K N 0.184 120.585 120.400 0.001 0.000 2.009 393 K HA -0.180 4.140 4.320 0.000 0.000 0.210 393 K C 1.996 178.601 176.600 0.008 0.000 1.049 393 K CA 1.471 57.760 56.287 0.004 0.000 0.929 393 K CB -0.238 32.263 32.500 0.002 0.000 0.714 393 K HN 0.221 nan 8.250 nan 0.000 0.440 394 A N 1.523 124.346 122.820 0.005 0.000 1.948 394 A HA -0.238 4.082 4.320 0.000 0.000 0.220 394 A C 2.118 179.707 177.584 0.008 0.000 1.177 394 A CA 1.931 53.970 52.037 0.005 0.000 0.636 394 A CB -0.604 18.395 19.000 -0.001 0.000 0.815 394 A HN 0.458 nan 8.150 nan 0.000 0.449 395 R N -0.530 119.974 120.500 0.006 0.000 2.073 395 R HA -0.053 4.287 4.340 0.000 0.000 0.229 395 R C 1.886 178.195 176.300 0.015 0.000 1.120 395 R CA 1.606 57.710 56.100 0.008 0.000 0.967 395 R CB -0.462 29.839 30.300 0.003 0.000 0.862 395 R HN 0.251 nan 8.270 nan 0.000 0.436 396 V N 1.710 121.633 119.914 0.014 0.000 2.287 396 V HA -0.267 3.853 4.120 0.000 0.000 0.248 396 V C 2.054 178.169 176.094 0.034 0.000 1.053 396 V CA 2.301 64.611 62.300 0.017 0.000 1.027 396 V CB -0.577 31.252 31.823 0.010 0.000 0.646 396 V HN 0.450 nan 8.190 nan 0.000 0.447 397 E N -0.263 119.965 120.200 0.047 0.000 2.049 397 E HA -0.289 4.061 4.350 0.000 0.000 0.198 397 E C 2.158 178.841 176.600 0.138 0.000 1.007 397 E CA 1.797 58.253 56.400 0.093 0.000 0.809 397 E CB -0.252 29.489 29.700 0.069 0.000 0.749 397 E HN 0.616 nan 8.360 nan 0.000 0.450 398 D N -0.410 120.037 120.400 0.078 0.000 2.123 398 D HA -0.073 4.567 4.640 0.000 0.000 0.200 398 D C 1.968 178.315 176.300 0.078 0.000 0.976 398 D CA 1.038 55.079 54.000 0.068 0.000 0.831 398 D CB 0.117 40.931 40.800 0.023 0.000 0.974 398 D HN 0.144 nan 8.370 nan 0.000 0.469 399 A N 1.079 123.930 122.820 0.051 0.000 1.972 399 A HA -0.108 4.213 4.320 0.000 0.000 0.219 399 A C 2.321 179.926 177.584 0.036 0.000 1.169 399 A CA 0.647 52.705 52.037 0.035 0.000 0.635 399 A CB -0.643 18.368 19.000 0.019 0.000 0.810 399 A HN 0.319 nan 8.150 nan 0.000 0.446 400 L N -1.625 119.620 121.223 0.036 0.000 2.044 400 L HA -0.145 4.195 4.340 0.000 0.000 0.205 400 L C 2.684 179.534 176.870 -0.033 0.000 1.075 400 L CA 1.316 56.151 54.840 -0.010 0.000 0.747 400 L CB -0.447 41.594 42.059 -0.030 0.000 0.903 400 L HN 0.488 nan 8.230 nan 0.000 0.435 401 H N -0.539 118.528 119.070 -0.004 0.000 2.319 401 H HA -0.165 4.392 4.556 0.000 0.000 0.299 401 H C 2.159 177.486 175.328 -0.001 0.000 1.092 401 H CA 1.648 57.694 56.048 -0.003 0.000 1.302 401 H CB -0.045 29.716 29.762 -0.002 0.000 1.373 401 H HN 0.488 nan 8.280 nan 0.000 0.497 402 A N 0.357 123.251 122.820 0.125 0.000 1.933 402 A HA -0.166 4.154 4.320 0.000 0.000 0.218 402 A C 2.642 180.249 177.584 0.039 0.000 1.175 402 A CA 2.107 54.185 52.037 0.068 0.000 0.628 402 A CB -0.852 18.177 19.000 0.048 0.000 0.814 402 A HN 0.408 nan 8.150 nan 0.000 0.444 403 T N -0.259 114.310 114.554 0.025 0.000 2.674 403 T HA -0.146 4.204 4.350 0.000 0.000 0.265 403 T C 2.043 176.745 174.700 0.003 0.000 1.039 403 T CA 1.546 63.651 62.100 0.008 0.000 1.150 403 T CB -0.260 68.607 68.868 -0.002 0.000 0.864 403 T HN 0.519 nan 8.240 nan 0.000 0.427 404 R N 0.912 121.405 120.500 -0.011 0.000 2.127 404 R HA 0.008 4.348 4.340 0.000 0.000 0.238 404 R C 2.741 179.046 176.300 0.008 0.000 1.134 404 R CA 1.209 57.299 56.100 -0.017 0.000 0.975 404 R CB -0.416 29.849 30.300 -0.059 0.000 0.865 404 R HN 0.374 nan 8.270 nan 0.000 0.447 405 A N 1.159 123.996 122.820 0.029 0.000 1.897 405 A HA -0.034 4.286 4.320 0.000 0.000 0.215 405 A C 2.370 179.972 177.584 0.029 0.000 1.181 405 A CA 1.407 53.467 52.037 0.038 0.000 0.620 405 A CB -0.548 18.485 19.000 0.054 0.000 0.821 405 A HN 0.364 nan 8.150 nan 0.000 0.443 406 A N -0.467 122.368 122.820 0.025 0.000 1.933 406 A HA -0.035 4.286 4.320 0.000 0.000 0.218 406 A C 2.095 179.689 177.584 0.016 0.000 1.175 406 A CA 1.701 53.750 52.037 0.020 0.000 0.628 406 A CB -0.951 18.059 19.000 0.017 0.000 0.814 406 A HN 0.424 nan 8.150 nan 0.000 0.444 407 V N 0.328 120.249 119.914 0.012 0.000 2.828 407 V HA -0.256 3.864 4.120 0.000 0.000 0.260 407 V C 2.241 178.343 176.094 0.013 0.000 1.101 407 V CA 2.168 64.473 62.300 0.010 0.000 1.123 407 V CB -0.816 31.009 31.823 0.004 0.000 0.704 407 V HN 0.653 nan 8.190 nan 0.000 0.493 408 E N -0.149 120.061 120.200 0.017 0.000 2.102 408 E HA -0.006 4.344 4.350 0.000 0.000 0.190 408 E C 0.824 177.436 176.600 0.020 0.000 0.971 408 E CA 0.610 57.022 56.400 0.020 0.000 0.821 408 E CB 0.176 29.892 29.700 0.025 0.000 0.777 408 E HN 0.599 nan 8.360 nan 0.000 0.460 409 E N 0.201 120.414 120.200 0.022 0.000 4.139 409 E HA 0.254 4.604 4.350 0.000 0.000 0.227 409 E C -0.232 176.381 176.600 0.021 0.000 1.187 409 E CA -0.192 56.221 56.400 0.022 0.000 1.324 409 E CB 1.184 30.899 29.700 0.026 0.000 1.207 409 E HN 0.282 nan 8.360 nan 0.000 0.422 410 G N 0.631 109.442 108.800 0.018 0.000 2.633 410 G HA2 -0.261 3.699 3.960 0.000 0.000 0.263 410 G HA3 -0.261 3.699 3.960 0.000 0.000 0.263 410 G C -0.068 174.842 174.900 0.017 0.000 1.310 410 G CA -0.147 44.963 45.100 0.017 0.000 0.914 410 G HN 0.725 nan 8.290 nan 0.000 0.569 411 V N -3.390 116.534 119.914 0.017 0.000 3.114 411 V HA 0.968 5.088 4.120 0.000 0.000 0.308 411 V C 0.325 176.430 176.094 0.018 0.000 1.168 411 V CA 0.194 62.504 62.300 0.016 0.000 1.015 411 V CB 1.274 33.105 31.823 0.014 0.000 1.050 411 V HN 2.530 nan 8.190 nan 0.000 0.433 412 V N -1.018 118.907 119.914 0.018 0.000 3.206 412 V HA 0.972 5.093 4.120 0.000 0.000 0.305 412 V C 0.438 176.543 176.094 0.018 0.000 1.257 412 V CA -0.503 61.810 62.300 0.021 0.000 1.057 412 V CB 1.546 33.383 31.823 0.023 0.000 1.075 412 V HN 2.183 nan 8.190 nan 0.000 0.443 413 A N 0.874 123.707 122.820 0.021 0.000 3.046 413 A HA 0.510 4.830 4.320 0.000 0.000 0.259 413 A C 1.533 179.126 177.584 0.015 0.000 1.843 413 A CA 0.454 52.501 52.037 0.016 0.000 1.451 413 A CB -1.239 17.774 19.000 0.021 0.000 1.025 413 A HN 1.835 nan 8.150 nan 0.000 0.625 414 G N 0.713 109.521 108.800 0.013 0.000 2.625 414 G HA2 0.106 4.066 3.960 0.000 0.000 0.214 414 G HA3 0.106 4.066 3.960 0.000 0.000 0.214 414 G C 0.972 175.877 174.900 0.008 0.000 1.132 414 G CA 0.549 45.657 45.100 0.014 0.000 0.782 414 G HN 0.884 nan 8.290 nan 0.000 0.538 415 G N -0.025 108.775 108.800 0.000 0.000 2.991 415 G HA2 0.421 4.381 3.960 0.000 0.000 0.262 415 G HA3 0.421 4.381 3.960 0.000 0.000 0.262 415 G C 1.349 176.249 174.900 -0.000 0.000 0.765 415 G CA 0.243 45.339 45.100 -0.007 0.000 2.051 415 G HN 1.088 nan 8.290 nan 0.000 0.602 416 G N -0.081 108.725 108.800 0.010 0.000 2.779 416 G HA2 -0.428 3.532 3.960 0.000 0.000 0.230 416 G HA3 -0.428 3.532 3.960 0.000 0.000 0.230 416 G C 1.541 176.458 174.900 0.027 0.000 1.243 416 G CA 0.757 45.868 45.100 0.018 0.000 0.769 416 G HN 0.759 nan 8.290 nan 0.000 0.516 417 V N 1.718 121.648 119.914 0.027 0.000 2.332 417 V HA -0.040 4.080 4.120 0.000 0.000 0.248 417 V C 3.349 179.470 176.094 0.046 0.000 1.055 417 V CA 3.120 65.446 62.300 0.043 0.000 1.038 417 V CB -1.148 30.700 31.823 0.041 0.000 0.651 417 V HN 1.122 nan 8.190 nan 0.000 0.450 418 A N -0.204 122.638 122.820 0.036 0.000 1.933 418 A HA -0.137 4.183 4.320 0.000 0.000 0.218 418 A C 2.120 179.724 177.584 0.034 0.000 1.175 418 A CA 1.566 53.624 52.037 0.035 0.000 0.628 418 A CB -0.424 18.594 19.000 0.029 0.000 0.814 418 A HN 0.408 nan 8.150 nan 0.000 0.444 419 L N -0.048 121.194 121.223 0.032 0.000 2.027 419 L HA -0.138 4.202 4.340 0.000 0.000 0.206 419 L C 2.505 179.394 176.870 0.032 0.000 1.074 419 L CA 1.326 56.184 54.840 0.030 0.000 0.745 419 L CB -1.420 40.656 42.059 0.028 0.000 0.898 419 L HN 0.300 nan 8.230 nan 0.000 0.433 420 I N -0.140 120.453 120.570 0.038 0.000 2.208 420 I HA -0.279 3.891 4.170 0.000 0.000 0.245 420 I C 2.746 178.889 176.117 0.043 0.000 1.097 420 I CA 1.176 62.501 61.300 0.043 0.000 1.363 420 I CB -1.092 36.940 38.000 0.055 0.000 1.051 420 I HN 0.270 nan 8.210 nan 0.000 0.413 421 R N 1.472 122.000 120.500 0.046 0.000 2.073 421 R HA -0.128 4.212 4.340 0.000 0.000 0.234 421 R C 2.359 178.679 176.300 0.034 0.000 1.134 421 R CA 1.882 58.009 56.100 0.045 0.000 0.952 421 R CB -0.663 29.666 30.300 0.049 0.000 0.850 421 R HN 0.383 nan 8.270 nan 0.000 0.433 422 V N -1.814 118.118 119.914 0.030 0.000 2.515 422 V HA -0.017 4.104 4.120 0.000 0.000 0.250 422 V C 2.103 178.210 176.094 0.021 0.000 1.058 422 V CA 1.674 63.988 62.300 0.024 0.000 1.064 422 V CB -1.100 30.736 31.823 0.022 0.000 0.675 422 V HN 0.316 nan 8.190 nan 0.000 0.461 423 A N 1.771 124.605 122.820 0.023 0.000 1.930 423 A HA -0.112 4.208 4.320 0.000 0.000 0.217 423 A C 2.548 180.144 177.584 0.021 0.000 1.175 423 A CA 2.108 54.157 52.037 0.021 0.000 0.627 423 A CB -1.001 18.013 19.000 0.023 0.000 0.815 423 A HN 0.951 nan 8.150 nan 0.000 0.443 424 S N -0.116 115.599 115.700 0.025 0.000 2.469 424 S HA -0.140 4.330 4.470 0.000 0.000 0.238 424 S C 1.651 176.261 174.600 0.017 0.000 0.998 424 S CA 1.415 59.629 58.200 0.023 0.000 0.957 424 S CB -0.232 62.986 63.200 0.030 0.000 0.764 424 S HN 0.652 nan 8.310 nan 0.000 0.514 425 K N 0.914 121.323 120.400 0.016 0.000 2.102 425 K HA 0.184 4.504 4.320 0.000 0.000 0.206 425 K C 1.396 178.002 176.600 0.010 0.000 1.031 425 K CA 0.929 57.223 56.287 0.012 0.000 0.962 425 K CB -0.442 32.065 32.500 0.012 0.000 0.811 425 K HN 0.453 nan 8.250 nan 0.000 0.453 426 L N -0.444 120.785 121.223 0.011 0.000 2.660 426 L HA 0.354 4.694 4.340 0.000 0.000 0.238 426 L C 1.586 178.461 176.870 0.009 0.000 1.161 426 L CA 0.319 55.165 54.840 0.009 0.000 0.937 426 L CB -0.865 41.199 42.059 0.009 0.000 1.122 426 L HN -0.043 nan 8.230 nan 0.000 0.435 427 A N -0.424 122.402 122.820 0.010 0.000 2.076 427 A HA -0.185 4.135 4.320 0.000 0.000 0.220 427 A C 1.883 179.471 177.584 0.007 0.000 1.160 427 A CA 1.636 53.679 52.037 0.009 0.000 0.653 427 A CB -0.527 18.479 19.000 0.010 0.000 0.801 427 A HN 0.522 nan 8.150 nan 0.000 0.455 428 D N -0.798 119.606 120.400 0.006 0.000 2.371 428 D HA 0.009 4.649 4.640 0.000 0.000 0.221 428 D C 0.544 176.847 176.300 0.005 0.000 0.986 428 D CA 0.089 54.092 54.000 0.005 0.000 0.899 428 D CB -0.199 40.603 40.800 0.004 0.000 0.902 428 D HN 0.384 nan 8.370 nan 0.000 0.530 429 L N 1.775 123.001 121.223 0.005 0.000 2.525 429 L HA -0.021 4.319 4.340 0.000 0.000 0.278 429 L C 0.257 177.129 176.870 0.005 0.000 1.218 429 L CA 0.658 55.501 54.840 0.005 0.000 0.878 429 L CB 0.327 42.389 42.059 0.005 0.000 1.127 429 L HN -0.227 nan 8.230 nan 0.000 0.492 430 R N 3.200 123.703 120.500 0.004 0.000 2.854 430 R HA 0.672 5.013 4.340 0.000 0.000 0.271 430 R C -0.241 176.061 176.300 0.003 0.000 0.996 430 R CA -0.399 55.703 56.100 0.004 0.000 0.961 430 R CB 1.422 31.724 30.300 0.003 0.000 1.182 430 R HN 0.835 nan 8.270 nan 0.000 0.479 431 G N 0.107 108.909 108.800 0.004 0.000 2.488 431 G HA2 0.307 4.267 3.960 0.000 0.000 0.318 431 G HA3 0.307 4.267 3.960 0.000 0.000 0.318 431 G C 0.038 174.940 174.900 0.003 0.000 1.188 431 G CA -0.313 44.789 45.100 0.003 0.000 0.944 431 G HN 0.351 nan 8.290 nan 0.000 0.495 432 Q N -0.604 119.197 119.800 0.003 0.000 2.187 432 Q HA 0.041 4.381 4.340 0.000 0.000 0.199 432 Q C 1.184 177.185 176.000 0.003 0.000 0.957 432 Q CA 0.653 56.458 55.803 0.003 0.000 0.857 432 Q CB 0.175 28.914 28.738 0.002 0.000 0.929 432 Q HN 0.629 nan 8.270 nan 0.000 0.453 433 N N -0.028 118.674 118.700 0.003 0.000 2.402 433 N HA -0.006 4.734 4.740 0.000 0.000 0.294 433 N C 0.546 176.058 175.510 0.004 0.000 1.203 433 N CA -0.079 52.973 53.050 0.003 0.000 0.838 433 N CB 1.515 40.004 38.487 0.004 0.000 1.306 433 N HN -0.016 nan 8.380 nan 0.000 0.510 434 E N 1.614 121.816 120.200 0.004 0.000 2.072 434 E HA -0.202 4.148 4.350 0.000 0.000 0.191 434 E C 0.410 177.013 176.600 0.005 0.000 0.985 434 E CA 1.671 58.073 56.400 0.004 0.000 0.801 434 E CB -0.688 29.014 29.700 0.004 0.000 0.750 434 E HN 0.653 nan 8.360 nan 0.000 0.452 435 D N 1.167 121.570 120.400 0.005 0.000 2.182 435 D HA -0.179 4.461 4.640 0.000 0.000 0.201 435 D C 2.090 178.394 176.300 0.006 0.000 0.986 435 D CA 1.473 55.476 54.000 0.006 0.000 0.847 435 D CB -0.261 40.542 40.800 0.006 0.000 0.942 435 D HN 0.311 nan 8.370 nan 0.000 0.467 436 Q N 0.162 119.965 119.800 0.005 0.000 2.083 436 Q HA -0.115 4.225 4.340 0.000 0.000 0.198 436 Q C 1.741 177.744 176.000 0.005 0.000 0.969 436 Q CA 0.824 56.630 55.803 0.005 0.000 0.838 436 Q CB 0.124 28.865 28.738 0.004 0.000 0.900 436 Q HN 0.275 nan 8.270 nan 0.000 0.436 437 N N -0.217 118.486 118.700 0.005 0.000 2.120 437 N HA -0.143 4.597 4.740 0.000 0.000 0.188 437 N C 1.871 177.384 175.510 0.006 0.000 1.024 437 N CA 1.345 54.398 53.050 0.005 0.000 0.852 437 N CB -0.018 38.472 38.487 0.005 0.000 1.003 437 N HN 0.101 nan 8.380 nan 0.000 0.424 438 V N 1.099 121.017 119.914 0.006 0.000 2.343 438 V HA -0.163 3.957 4.120 0.000 0.000 0.247 438 V C 2.532 178.630 176.094 0.007 0.000 1.051 438 V CA 2.034 64.338 62.300 0.007 0.000 1.036 438 V CB -1.174 30.653 31.823 0.007 0.000 0.654 438 V HN 0.336 nan 8.190 nan 0.000 0.451 439 G N -0.127 108.677 108.800 0.007 0.000 2.440 439 G HA2 -0.235 3.725 3.960 0.000 0.000 0.218 439 G HA3 -0.235 3.725 3.960 0.000 0.000 0.218 439 G C 1.579 176.484 174.900 0.007 0.000 1.154 439 G CA 1.122 46.226 45.100 0.008 0.000 0.767 439 G HN 0.484 nan 8.290 nan 0.000 0.552 440 I N 0.143 120.717 120.570 0.007 0.000 2.127 440 I HA -0.157 4.014 4.170 0.000 0.000 0.241 440 I C 2.735 178.857 176.117 0.008 0.000 1.075 440 I CA 1.401 62.705 61.300 0.007 0.000 1.334 440 I CB -0.084 37.919 38.000 0.006 0.000 1.040 440 I HN 0.020 nan 8.210 nan 0.000 0.405 441 K N 0.153 120.558 120.400 0.008 0.000 2.283 441 K HA -0.048 4.272 4.320 0.000 0.000 0.202 441 K C 1.836 178.442 176.600 0.010 0.000 1.048 441 K CA 0.628 56.920 56.287 0.009 0.000 0.948 441 K CB -0.225 32.280 32.500 0.008 0.000 0.742 441 K HN 0.121 nan 8.250 nan 0.000 0.458 442 V N 0.493 120.413 119.914 0.010 0.000 2.358 442 V HA -0.224 3.896 4.120 0.000 0.000 0.246 442 V C 2.144 178.245 176.094 0.012 0.000 1.047 442 V CA 1.958 64.265 62.300 0.011 0.000 1.035 442 V CB -0.570 31.259 31.823 0.011 0.000 0.658 442 V HN 0.355 nan 8.190 nan 0.000 0.452 443 A N -0.189 122.638 122.820 0.012 0.000 1.877 443 A HA -0.168 4.152 4.320 0.000 0.000 0.216 443 A C 2.204 179.796 177.584 0.014 0.000 1.186 443 A CA 1.834 53.879 52.037 0.012 0.000 0.620 443 A CB -0.560 18.446 19.000 0.010 0.000 0.822 443 A HN 0.494 nan 8.150 nan 0.000 0.443 444 L N -1.191 120.040 121.223 0.013 0.000 2.017 444 L HA -0.187 4.153 4.340 0.000 0.000 0.208 444 L C 2.766 179.646 176.870 0.016 0.000 1.073 444 L CA 1.834 56.682 54.840 0.015 0.000 0.745 444 L CB -0.471 41.596 42.059 0.013 0.000 0.894 444 L HN 0.452 nan 8.230 nan 0.000 0.432 445 R N 0.352 120.861 120.500 0.015 0.000 2.159 445 R HA -0.181 4.159 4.340 0.000 0.000 0.237 445 R C 2.206 178.516 176.300 0.017 0.000 1.131 445 R CA 1.301 57.410 56.100 0.016 0.000 0.982 445 R CB -0.171 30.137 30.300 0.014 0.000 0.868 445 R HN 0.371 nan 8.270 nan 0.000 0.453 446 A N 0.386 123.216 122.820 0.017 0.000 1.968 446 A HA -0.087 4.233 4.320 0.000 0.000 0.217 446 A C 2.042 179.638 177.584 0.020 0.000 1.169 446 A CA 1.164 53.212 52.037 0.019 0.000 0.638 446 A CB -0.290 18.721 19.000 0.019 0.000 0.812 446 A HN 0.357 nan 8.150 nan 0.000 0.446 447 M N -0.379 119.233 119.600 0.021 0.000 2.460 447 M HA -0.092 4.388 4.480 0.000 0.000 0.263 447 M C 1.534 177.849 176.300 0.025 0.000 1.071 447 M CA 0.768 56.082 55.300 0.023 0.000 1.096 447 M CB -0.281 32.333 32.600 0.023 0.000 1.408 447 M HN 0.361 nan 8.290 nan 0.000 0.463 448 E N 0.701 120.915 120.200 0.024 0.000 2.150 448 E HA -0.128 4.223 4.350 0.000 0.000 0.193 448 E C 2.161 178.775 176.600 0.024 0.000 0.985 448 E CA 1.353 57.768 56.400 0.025 0.000 0.814 448 E CB -0.112 29.602 29.700 0.023 0.000 0.752 448 E HN 0.539 nan 8.360 nan 0.000 0.466 449 A N 1.811 124.644 122.820 0.021 0.000 1.898 449 A HA -0.095 4.225 4.320 0.000 0.000 0.216 449 A C -0.277 177.318 177.584 0.018 0.000 1.181 449 A CA 1.061 53.110 52.037 0.019 0.000 0.620 449 A CB -1.405 17.605 19.000 0.018 0.000 0.819 449 A HN 0.157 nan 8.150 nan 0.000 0.442 450 P HA -0.147 nan 4.420 nan 0.000 0.215 450 P C 1.706 179.015 177.300 0.015 0.000 1.157 450 P CA 0.890 63.999 63.100 0.016 0.000 0.868 450 P CB -0.088 31.622 31.700 0.017 0.000 0.788 451 L N -0.246 120.990 121.223 0.020 0.000 2.017 451 L HA -0.125 4.215 4.340 0.000 0.000 0.208 451 L C 2.346 179.230 176.870 0.023 0.000 1.073 451 L CA 1.893 56.747 54.840 0.022 0.000 0.745 451 L CB -0.931 41.147 42.059 0.032 0.000 0.894 451 L HN -0.217 nan 8.230 nan 0.000 0.432 452 R N -1.077 119.438 120.500 0.024 0.000 2.096 452 R HA -0.203 4.137 4.340 0.000 0.000 0.235 452 R C 2.292 178.603 176.300 0.019 0.000 1.127 452 R CA 1.452 57.567 56.100 0.024 0.000 0.968 452 R CB -0.387 29.927 30.300 0.023 0.000 0.861 452 R HN 0.407 nan 8.270 nan 0.000 0.440 453 Q N 1.082 120.890 119.800 0.015 0.000 2.123 453 Q HA -0.047 4.294 4.340 0.000 0.000 0.199 453 Q C 1.787 177.791 176.000 0.006 0.000 0.966 453 Q CA 1.365 57.174 55.803 0.010 0.000 0.845 453 Q CB -0.083 28.660 28.738 0.009 0.000 0.907 453 Q HN 0.333 nan 8.270 nan 0.000 0.439 454 I N -0.779 119.793 120.570 0.005 0.000 2.163 454 I HA -0.289 3.881 4.170 0.000 0.000 0.243 454 I C 1.971 178.087 176.117 -0.001 0.000 1.085 454 I CA 1.131 62.429 61.300 -0.004 0.000 1.347 454 I CB -0.261 37.733 38.000 -0.009 0.000 1.044 454 I HN 0.068 nan 8.210 nan 0.000 0.408 455 V N 0.344 120.266 119.914 0.014 0.000 2.379 455 V HA -0.240 3.880 4.120 0.000 0.000 0.245 455 V C 2.312 178.421 176.094 0.025 0.000 1.044 455 V CA 1.378 63.696 62.300 0.030 0.000 1.036 455 V CB -0.520 31.333 31.823 0.051 0.000 0.664 455 V HN 0.355 nan 8.190 nan 0.000 0.453 456 L N 0.824 122.059 121.223 0.019 0.000 2.131 456 L HA -0.127 4.213 4.340 0.000 0.000 0.210 456 L C 2.152 179.028 176.870 0.010 0.000 1.092 456 L CA 1.787 56.636 54.840 0.016 0.000 0.759 456 L CB -0.979 41.088 42.059 0.014 0.000 0.903 456 L HN 0.300 nan 8.230 nan 0.000 0.435 457 N N -0.990 117.713 118.700 0.005 0.000 2.223 457 N HA -0.177 4.563 4.740 0.000 0.000 0.185 457 N C 1.667 177.176 175.510 -0.002 0.000 1.016 457 N CA 1.720 54.770 53.050 -0.001 0.000 0.863 457 N CB -0.406 38.077 38.487 -0.006 0.000 0.983 457 N HN 0.442 nan 8.380 nan 0.000 0.429 458 C N -0.874 118.426 119.300 -0.000 0.000 2.539 458 C HA 0.259 4.719 4.460 0.000 0.000 0.268 458 C C 1.836 176.833 174.990 0.013 0.000 1.395 458 C CA 0.449 59.468 59.018 0.001 0.000 1.757 458 C CB -0.680 27.058 27.740 -0.005 0.000 1.851 458 C HN 0.648 nan 8.230 nan 0.000 0.545 459 G N 0.450 109.260 108.800 0.016 0.000 2.213 459 G HA2 -0.167 3.793 3.960 0.000 0.000 0.236 459 G HA3 -0.167 3.793 3.960 0.000 0.000 0.236 459 G C -0.092 174.822 174.900 0.025 0.000 0.991 459 G CA 0.045 45.156 45.100 0.018 0.000 0.629 459 G HN 0.485 nan 8.290 nan 0.000 0.517 460 E N 1.219 121.441 120.200 0.036 0.000 2.392 460 E HA 0.286 4.636 4.350 0.000 0.000 0.256 460 E C 0.414 177.034 176.600 0.033 0.000 1.145 460 E CA -0.482 55.943 56.400 0.043 0.000 0.929 460 E CB 0.389 30.134 29.700 0.075 0.000 0.998 460 E HN 0.484 nan 8.360 nan 0.000 0.442 461 E N 2.226 122.441 120.200 0.025 0.000 2.271 461 E HA -0.022 4.328 4.350 0.000 0.000 0.255 461 E C -1.558 175.055 176.600 0.022 0.000 1.177 461 E CA -1.164 55.247 56.400 0.019 0.000 0.946 461 E CB 0.292 30.000 29.700 0.012 0.000 1.009 461 E HN 0.186 nan 8.360 nan 0.000 0.451 462 P HA -0.154 nan 4.420 nan 0.000 0.222 462 P C 1.447 178.765 177.300 0.030 0.000 1.153 462 P CA 0.783 63.901 63.100 0.030 0.000 0.798 462 P CB 0.207 31.922 31.700 0.027 0.000 0.796 463 S N -0.277 115.438 115.700 0.025 0.000 2.380 463 S HA -0.210 4.260 4.470 0.000 0.000 0.229 463 S C 1.994 176.612 174.600 0.028 0.000 1.050 463 S CA 2.097 60.312 58.200 0.024 0.000 1.100 463 S CB -1.929 61.282 63.200 0.018 0.000 0.984 463 S HN -0.004 nan 8.310 nan 0.000 0.434 464 V N 1.581 121.510 119.914 0.024 0.000 2.379 464 V HA -0.077 4.043 4.120 0.000 0.000 0.245 464 V C 2.655 178.777 176.094 0.048 0.000 1.044 464 V CA 1.514 63.829 62.300 0.025 0.000 1.036 464 V CB -0.746 31.082 31.823 0.008 0.000 0.664 464 V HN 0.468 nan 8.190 nan 0.000 0.453 465 V N 0.388 120.328 119.914 0.043 0.000 2.548 465 V HA -0.170 3.950 4.120 0.000 0.000 0.249 465 V C 2.678 178.830 176.094 0.096 0.000 1.055 465 V CA 1.673 64.014 62.300 0.068 0.000 1.065 465 V CB -1.060 30.785 31.823 0.037 0.000 0.681 465 V HN 0.529 nan 8.190 nan 0.000 0.462 466 A N 0.749 123.612 122.820 0.071 0.000 1.877 466 A HA -0.289 4.031 4.320 0.000 0.000 0.216 466 A C 2.085 179.719 177.584 0.083 0.000 1.186 466 A CA 2.352 54.431 52.037 0.071 0.000 0.620 466 A CB -0.847 18.183 19.000 0.050 0.000 0.822 466 A HN 0.599 nan 8.150 nan 0.000 0.443 467 N N -0.325 118.417 118.700 0.071 0.000 2.166 467 N HA -0.153 4.588 4.740 0.000 0.000 0.186 467 N C 1.818 177.382 175.510 0.091 0.000 1.019 467 N CA 2.488 55.576 53.050 0.064 0.000 0.856 467 N CB -0.338 38.174 38.487 0.040 0.000 0.993 467 N HN 0.574 nan 8.380 nan 0.000 0.426 468 T N -2.465 112.173 114.554 0.140 0.000 2.737 468 T HA -0.071 4.279 4.350 0.000 0.000 0.265 468 T C 2.003 176.918 174.700 0.359 0.000 1.038 468 T CA 1.383 63.622 62.100 0.232 0.000 1.144 468 T CB -0.938 68.110 68.868 0.301 0.000 0.866 468 T HN -0.043 nan 8.240 nan 0.000 0.434 469 V N 2.014 122.122 119.914 0.324 0.000 2.392 469 V HA -0.175 3.945 4.120 0.000 0.000 0.249 469 V C 2.804 179.014 176.094 0.195 0.000 1.059 469 V CA 1.910 64.391 62.300 0.301 0.000 1.051 469 V CB -0.665 31.267 31.823 0.182 0.000 0.658 469 V HN 0.519 nan 8.190 nan 0.000 0.455 470 K N 0.121 120.597 120.400 0.126 0.000 2.057 470 K HA -0.104 4.216 4.320 0.000 0.000 0.207 470 K C 2.183 178.813 176.600 0.051 0.000 1.049 470 K CA 1.541 57.874 56.287 0.076 0.000 0.931 470 K CB -0.549 31.984 32.500 0.056 0.000 0.714 470 K HN 0.558 nan 8.250 nan 0.000 0.440 471 G N 0.633 109.458 108.800 0.042 0.000 2.494 471 G HA2 -0.003 3.957 3.960 0.000 0.000 0.216 471 G HA3 -0.003 3.957 3.960 0.000 0.000 0.216 471 G C 0.641 175.496 174.900 -0.075 0.000 1.140 471 G CA 0.325 45.418 45.100 -0.012 0.000 0.801 471 G HN 0.340 nan 8.290 nan 0.000 0.536 472 G N -0.316 108.418 108.800 -0.110 0.000 2.537 472 G HA2 0.469 4.429 3.960 0.000 0.000 0.273 472 G HA3 0.469 4.429 3.960 0.000 0.000 0.273 472 G C -1.308 173.544 174.900 -0.080 0.000 1.189 472 G CA -0.386 44.553 45.100 -0.270 0.000 0.881 472 G HN 0.177 nan 8.290 nan 0.000 0.535 473 D N -1.023 119.325 120.400 -0.087 0.000 2.272 473 D HA 0.590 5.231 4.640 0.000 0.000 0.247 473 D C 0.840 177.167 176.300 0.044 0.000 0.990 473 D CA 1.009 55.004 54.000 -0.008 0.000 0.931 473 D CB 1.509 42.295 40.800 -0.023 0.000 1.195 473 D HN 0.836 nan 8.370 nan 0.000 0.477 474 G N 0.865 109.701 108.800 0.060 0.000 2.698 474 G HA2 -0.283 3.677 3.960 0.000 0.000 0.233 474 G HA3 -0.283 3.677 3.960 0.000 0.000 0.233 474 G C 0.021 174.992 174.900 0.119 0.000 1.352 474 G CA -0.614 44.534 45.100 0.079 0.000 0.879 474 G HN 0.592 nan 8.290 nan 0.000 0.567 475 N N 0.380 119.146 118.700 0.111 0.000 2.482 475 N HA 0.055 4.795 4.740 0.000 0.000 0.220 475 N C 0.479 176.078 175.510 0.150 0.000 1.255 475 N CA 0.375 53.489 53.050 0.108 0.000 0.850 475 N CB -0.054 38.473 38.487 0.068 0.000 1.127 475 N HN 0.519 nan 8.380 nan 0.000 0.475 476 Y N 1.048 121.387 120.300 0.065 0.000 2.597 476 Y HA 0.269 4.819 4.550 0.000 0.000 0.336 476 Y C 0.844 176.822 175.900 0.129 0.000 1.216 476 Y CA 0.550 58.709 58.100 0.098 0.000 1.463 476 Y CB 0.444 38.958 38.460 0.090 0.000 1.303 476 Y HN 0.161 nan 8.280 nan 0.000 0.576 477 G N 3.265 111.759 108.800 -0.510 0.000 2.340 477 G HA2 0.181 4.141 3.960 0.000 0.000 0.299 477 G HA3 0.181 4.141 3.960 0.000 0.000 0.299 477 G C -2.572 172.123 174.900 -0.341 0.000 1.291 477 G CA -1.032 43.846 45.100 -0.370 0.000 0.841 477 G HN 0.595 nan 8.290 nan 0.000 0.500 478 Y N 1.627 121.605 120.300 -0.536 0.000 2.331 478 Y HA 0.589 5.139 4.550 0.000 0.000 0.338 478 Y C 0.228 175.889 175.900 -0.399 0.000 0.976 478 Y CA -1.812 55.823 58.100 -0.776 0.000 1.137 478 Y CB 1.521 39.395 38.460 -0.977 0.000 1.172 478 Y HN 0.439 nan 8.280 nan 0.000 0.478 479 N N 4.737 123.065 118.700 -0.619 0.000 2.434 479 N HA 0.073 4.813 4.740 0.000 0.000 0.273 479 N C 0.549 175.654 175.510 -0.674 0.000 1.210 479 N CA 0.600 53.353 53.050 -0.495 0.000 0.992 479 N CB 0.648 38.937 38.487 -0.330 0.000 1.355 479 N HN 0.813 nan 8.380 nan 0.000 0.495 480 A N 2.959 125.488 122.820 -0.484 0.000 2.259 480 A HA 0.032 4.352 4.320 0.000 0.000 0.212 480 A C 1.882 179.320 177.584 -0.243 0.000 1.178 480 A CA 1.329 53.151 52.037 -0.359 0.000 0.734 480 A CB -0.266 18.629 19.000 -0.175 0.000 0.774 480 A HN 0.679 nan 8.150 nan 0.000 0.481 481 A N -0.440 122.246 122.820 -0.224 0.000 1.871 481 A HA 0.053 4.373 4.320 0.000 0.000 0.211 481 A C 2.403 179.893 177.584 -0.158 0.000 1.207 481 A CA 2.001 53.946 52.037 -0.153 0.000 0.620 481 A CB -0.912 18.017 19.000 -0.118 0.000 0.860 481 A HN 0.674 nan 8.150 nan 0.000 0.450 482 T N -3.981 110.458 114.554 -0.192 0.000 3.010 482 T HA 0.196 4.546 4.350 0.000 0.000 0.252 482 T C 0.430 175.026 174.700 -0.173 0.000 1.047 482 T CA 1.093 63.102 62.100 -0.151 0.000 1.140 482 T CB -0.132 68.663 68.868 -0.122 0.000 0.885 482 T HN 0.532 nan 8.240 nan 0.000 0.464 483 E N 0.177 120.180 120.200 -0.328 0.000 2.936 483 E HA -0.075 4.275 4.350 0.000 0.000 0.328 483 E C -1.099 175.387 176.600 -0.190 0.000 0.912 483 E CA 0.028 56.190 56.400 -0.396 0.000 1.060 483 E CB -1.435 28.205 29.700 -0.100 0.000 1.475 483 E HN 0.613 nan 8.360 nan 0.000 0.395 484 E N -0.512 119.536 120.200 -0.253 0.000 2.299 484 E HA 0.559 4.909 4.350 0.000 0.000 0.265 484 E C -0.986 175.630 176.600 0.028 0.000 0.911 484 E CA -0.689 55.742 56.400 0.053 0.000 0.789 484 E CB 1.015 30.740 29.700 0.041 0.000 1.246 484 E HN 0.087 nan 8.360 nan 0.000 0.427 485 Y N 0.220 120.645 120.300 0.208 0.000 2.307 485 Y HA 0.660 5.210 4.550 0.000 0.000 0.324 485 Y C 1.073 176.977 175.900 0.007 0.000 1.238 485 Y CA 0.908 59.069 58.100 0.102 0.000 1.280 485 Y CB 1.640 40.142 38.460 0.071 0.000 1.248 485 Y HN 0.617 nan 8.280 nan 0.000 0.508 486 G N 1.061 109.920 108.800 0.099 0.000 2.392 486 G HA2 -0.034 3.926 3.960 0.000 0.000 0.260 486 G HA3 -0.034 3.926 3.960 0.000 0.000 0.260 486 G C -1.713 173.220 174.900 0.055 0.000 1.226 486 G CA -1.121 44.037 45.100 0.097 0.000 0.913 486 G HN 0.473 nan 8.290 nan 0.000 0.483 487 N N 1.204 119.949 118.700 0.075 0.000 2.411 487 N HA 0.172 4.912 4.740 0.000 0.000 0.259 487 N C 1.489 177.012 175.510 0.022 0.000 1.103 487 N CA -0.394 52.697 53.050 0.068 0.000 0.954 487 N CB 0.896 39.427 38.487 0.073 0.000 1.085 487 N HN 0.358 nan 8.380 nan 0.000 0.485 488 M N 3.731 123.337 119.600 0.010 0.000 2.476 488 M HA -0.021 4.459 4.480 0.000 0.000 0.262 488 M C 1.498 177.795 176.300 -0.005 0.000 1.079 488 M CA 0.642 55.932 55.300 -0.016 0.000 1.104 488 M CB -0.180 32.407 32.600 -0.021 0.000 1.409 488 M HN 0.591 nan 8.290 nan 0.000 0.467 489 I N -0.085 120.491 120.570 0.011 0.000 2.339 489 I HA -0.225 3.945 4.170 0.000 0.000 0.245 489 I C 1.745 177.866 176.117 0.007 0.000 1.096 489 I CA 0.931 62.237 61.300 0.010 0.000 1.408 489 I CB -0.322 37.690 38.000 0.019 0.000 1.092 489 I HN 0.196 nan 8.210 nan 0.000 0.423 490 D N 0.757 121.164 120.400 0.012 0.000 2.224 490 D HA -0.073 4.567 4.640 0.000 0.000 0.205 490 D C 2.075 178.375 176.300 0.000 0.000 0.965 490 D CA 1.160 55.166 54.000 0.010 0.000 0.852 490 D CB 0.003 40.814 40.800 0.018 0.000 0.947 490 D HN 0.346 nan 8.370 nan 0.000 0.494 491 M N -0.430 119.166 119.600 -0.007 0.000 2.618 491 M HA 0.113 4.593 4.480 0.000 0.000 0.240 491 M C 1.135 177.417 176.300 -0.031 0.000 1.123 491 M CA 0.493 55.779 55.300 -0.023 0.000 1.060 491 M CB 0.448 33.025 32.600 -0.038 0.000 1.535 491 M HN 0.052 nan 8.290 nan 0.000 0.507 492 G N 1.055 109.842 108.800 -0.021 0.000 2.148 492 G HA2 -0.204 3.756 3.960 0.000 0.000 0.254 492 G HA3 -0.204 3.756 3.960 0.000 0.000 0.254 492 G C 0.205 175.089 174.900 -0.027 0.000 0.981 492 G CA -0.276 44.811 45.100 -0.021 0.000 0.670 492 G HN 0.422 nan 8.290 nan 0.000 0.528 493 I N 1.404 121.954 120.570 -0.034 0.000 3.525 493 I HA 0.324 4.494 4.170 0.000 0.000 0.311 493 I C 0.962 177.065 176.117 -0.022 0.000 1.329 493 I CA -0.114 61.163 61.300 -0.039 0.000 1.382 493 I CB -1.696 36.267 38.000 -0.062 0.000 1.328 493 I HN 0.349 nan 8.210 nan 0.000 0.493 494 L N -1.055 120.160 121.223 -0.013 0.000 2.299 494 L HA 0.837 5.177 4.340 0.000 0.000 0.268 494 L C -0.444 176.425 176.870 -0.000 0.000 1.012 494 L CA -0.375 54.464 54.840 -0.003 0.000 0.816 494 L CB 1.235 43.295 42.059 0.001 0.000 1.355 494 L HN -0.066 nan 8.230 nan 0.000 0.457 495 D N -1.347 119.056 120.400 0.006 0.000 2.661 495 D HA 0.383 5.023 4.640 0.000 0.000 0.228 495 D C -2.880 173.428 176.300 0.014 0.000 1.210 495 D CA -0.993 53.013 54.000 0.010 0.000 0.826 495 D CB 2.475 43.282 40.800 0.011 0.000 1.542 495 D HN 0.364 nan 8.370 nan 0.000 0.447 496 P HA 0.012 nan 4.420 nan 0.000 0.265 496 P C 0.875 178.189 177.300 0.023 0.000 1.187 496 P CA 0.223 63.335 63.100 0.020 0.000 0.766 496 P CB 0.515 32.228 31.700 0.023 0.000 0.820 497 T N 1.874 116.442 114.554 0.023 0.000 2.759 497 T HA -0.190 4.160 4.350 0.000 0.000 0.269 497 T C 1.628 176.347 174.700 0.031 0.000 1.042 497 T CA 1.220 63.336 62.100 0.025 0.000 1.140 497 T CB -0.302 68.579 68.868 0.023 0.000 0.864 497 T HN 0.477 nan 8.240 nan 0.000 0.455 498 K N 0.787 121.207 120.400 0.033 0.000 2.034 498 K HA -0.171 4.149 4.320 0.000 0.000 0.214 498 K C 2.394 179.023 176.600 0.050 0.000 1.051 498 K CA 2.006 58.318 56.287 0.041 0.000 0.931 498 K CB -0.410 32.114 32.500 0.040 0.000 0.715 498 K HN 0.395 nan 8.250 nan 0.000 0.446 499 V N -2.018 117.921 119.914 0.042 0.000 2.719 499 V HA -0.108 4.013 4.120 0.000 0.000 0.252 499 V C 1.815 177.937 176.094 0.046 0.000 1.065 499 V CA 1.958 64.283 62.300 0.043 0.000 1.086 499 V CB -0.651 31.189 31.823 0.028 0.000 0.700 499 V HN 0.227 nan 8.190 nan 0.000 0.467 500 T N 0.516 115.094 114.554 0.040 0.000 2.737 500 T HA -0.141 4.209 4.350 0.000 0.000 0.265 500 T C 1.977 176.705 174.700 0.046 0.000 1.038 500 T CA 2.067 64.189 62.100 0.038 0.000 1.144 500 T CB -0.338 68.549 68.868 0.030 0.000 0.866 500 T HN 0.562 nan 8.240 nan 0.000 0.434 501 R N 0.902 121.430 120.500 0.046 0.000 2.073 501 R HA -0.095 4.245 4.340 0.000 0.000 0.234 501 R C 2.657 179.000 176.300 0.072 0.000 1.134 501 R CA 1.694 57.821 56.100 0.045 0.000 0.952 501 R CB -0.419 29.903 30.300 0.036 0.000 0.850 501 R HN 0.213 nan 8.270 nan 0.000 0.433 502 S N 0.329 116.099 115.700 0.116 0.000 2.359 502 S HA -0.208 4.263 4.470 0.000 0.000 0.223 502 S C 1.982 176.726 174.600 0.240 0.000 1.039 502 S CA 1.455 59.797 58.200 0.236 0.000 1.042 502 S CB -0.370 62.952 63.200 0.204 0.000 0.915 502 S HN 0.604 nan 8.310 nan 0.000 0.439 503 A N 0.874 123.773 122.820 0.132 0.000 1.940 503 A HA -0.043 4.277 4.320 0.000 0.000 0.219 503 A C 2.145 179.786 177.584 0.094 0.000 1.176 503 A CA 1.283 53.381 52.037 0.101 0.000 0.631 503 A CB -0.635 18.400 19.000 0.058 0.000 0.814 503 A HN 0.486 nan 8.150 nan 0.000 0.446 504 L N -1.039 120.227 121.223 0.072 0.000 2.023 504 L HA -0.205 4.136 4.340 0.000 0.000 0.205 504 L C 2.851 179.742 176.870 0.035 0.000 1.073 504 L CA 1.646 56.513 54.840 0.046 0.000 0.745 504 L CB -0.386 41.691 42.059 0.030 0.000 0.900 504 L HN 0.470 nan 8.230 nan 0.000 0.435 505 Q N -1.288 118.520 119.800 0.013 0.000 2.079 505 Q HA -0.221 4.120 4.340 0.000 0.000 0.200 505 Q C 2.034 177.968 176.000 -0.111 0.000 0.974 505 Q CA 1.798 57.554 55.803 -0.078 0.000 0.840 505 Q CB -0.169 28.475 28.738 -0.158 0.000 0.898 505 Q HN 0.505 nan 8.270 nan 0.000 0.430 506 Y N 0.210 120.515 120.300 0.007 0.000 2.242 506 Y HA -0.160 4.390 4.550 0.000 0.000 0.291 506 Y C 2.371 178.275 175.900 0.006 0.000 1.137 506 Y CA 0.990 59.094 58.100 0.006 0.000 1.181 506 Y CB -0.417 38.047 38.460 0.005 0.000 0.989 506 Y HN 0.136 nan 8.280 nan 0.000 0.527 507 A N 0.130 123.038 122.820 0.147 0.000 1.877 507 A HA -0.174 4.146 4.320 0.000 0.000 0.216 507 A C 2.461 180.075 177.584 0.051 0.000 1.186 507 A CA 1.933 54.021 52.037 0.084 0.000 0.620 507 A CB -1.304 17.735 19.000 0.065 0.000 0.822 507 A HN 0.397 nan 8.150 nan 0.000 0.443 508 A N -0.885 121.953 122.820 0.030 0.000 1.908 508 A HA -0.135 4.185 4.320 0.000 0.000 0.218 508 A C 2.475 180.061 177.584 0.003 0.000 1.181 508 A CA 2.280 54.322 52.037 0.009 0.000 0.627 508 A CB -1.009 17.986 19.000 -0.008 0.000 0.818 508 A HN 0.548 nan 8.150 nan 0.000 0.445 509 S N -0.423 115.274 115.700 -0.005 0.000 2.351 509 S HA -0.169 4.301 4.470 0.000 0.000 0.220 509 S C 2.044 176.661 174.600 0.028 0.000 1.035 509 S CA 2.275 60.472 58.200 -0.004 0.000 1.031 509 S CB -0.796 62.386 63.200 -0.030 0.000 0.928 509 S HN 0.933 nan 8.310 nan 0.000 0.433 510 V N 0.531 120.478 119.914 0.054 0.000 2.626 510 V HA 0.089 4.209 4.120 0.000 0.000 0.252 510 V C 2.476 178.591 176.094 0.035 0.000 1.067 510 V CA 1.462 63.791 62.300 0.049 0.000 1.081 510 V CB -1.749 30.109 31.823 0.058 0.000 0.686 510 V HN 0.511 nan 8.190 nan 0.000 0.468 511 A N 1.789 124.627 122.820 0.030 0.000 1.845 511 A HA 0.034 4.354 4.320 0.000 0.000 0.215 511 A C 2.442 180.037 177.584 0.019 0.000 1.195 511 A CA 2.113 54.164 52.037 0.023 0.000 0.616 511 A CB -1.604 17.408 19.000 0.021 0.000 0.832 511 A HN 0.654 nan 8.150 nan 0.000 0.443 512 G N -0.649 108.160 108.800 0.014 0.000 2.422 512 G HA2 -0.077 3.883 3.960 0.000 0.000 0.218 512 G HA3 -0.077 3.883 3.960 0.000 0.000 0.218 512 G C 1.421 176.328 174.900 0.013 0.000 1.146 512 G CA 1.251 46.357 45.100 0.010 0.000 0.769 512 G HN 0.331 nan 8.290 nan 0.000 0.547 513 L N 0.194 121.426 121.223 0.016 0.000 1.988 513 L HA 0.135 4.475 4.340 0.000 0.000 0.207 513 L C 3.070 179.952 176.870 0.020 0.000 1.071 513 L CA 1.412 56.263 54.840 0.018 0.000 0.744 513 L CB -0.576 41.496 42.059 0.022 0.000 0.893 513 L HN 0.175 nan 8.230 nan 0.000 0.433 514 M N -1.380 118.234 119.600 0.024 0.000 2.279 514 M HA -0.215 4.266 4.480 0.000 0.000 0.264 514 M C 2.249 178.563 176.300 0.023 0.000 1.062 514 M CA 1.605 56.920 55.300 0.025 0.000 1.099 514 M CB -0.403 32.213 32.600 0.027 0.000 1.394 514 M HN 0.217 nan 8.290 nan 0.000 0.426 515 I N -0.065 120.517 120.570 0.021 0.000 2.226 515 I HA -0.248 3.922 4.170 0.000 0.000 0.245 515 I C 2.370 178.499 176.117 0.020 0.000 1.100 515 I CA 1.779 63.090 61.300 0.019 0.000 1.374 515 I CB -0.442 37.568 38.000 0.016 0.000 1.057 515 I HN 0.392 nan 8.210 nan 0.000 0.413 516 T N -3.526 111.040 114.554 0.019 0.000 3.107 516 T HA 0.097 4.448 4.350 0.000 0.000 0.249 516 T C 0.778 175.491 174.700 0.021 0.000 1.096 516 T CA -0.106 62.005 62.100 0.019 0.000 1.012 516 T CB -0.439 68.438 68.868 0.015 0.000 0.977 516 T HN 0.004 nan 8.240 nan 0.000 0.527 517 T N 3.006 117.573 114.554 0.022 0.000 2.794 517 T HA 0.254 4.605 4.350 0.000 0.000 0.296 517 T C 0.582 175.298 174.700 0.027 0.000 0.949 517 T CA -0.427 61.686 62.100 0.021 0.000 1.101 517 T CB 1.200 70.081 68.868 0.020 0.000 0.905 517 T HN 0.163 nan 8.240 nan 0.000 0.516 518 E N 0.624 120.839 120.200 0.026 0.000 2.511 518 E HA 0.210 4.560 4.350 0.000 0.000 0.209 518 E C 0.173 176.787 176.600 0.024 0.000 0.986 518 E CA 0.052 56.479 56.400 0.046 0.000 0.974 518 E CB 0.663 30.401 29.700 0.062 0.000 1.030 518 E HN 0.512 nan 8.360 nan 0.000 0.490 519 C N 0.399 119.679 119.300 -0.034 0.000 3.239 519 C HA 0.636 5.096 4.460 0.000 0.000 0.329 519 C C -1.603 173.347 174.990 -0.066 0.000 1.252 519 C CA -0.592 58.347 59.018 -0.132 0.000 1.323 519 C CB 0.842 28.391 27.740 -0.317 0.000 1.663 519 C HN 0.131 nan 8.230 nan 0.000 0.487 520 M N 3.881 123.463 119.600 -0.031 0.000 2.446 520 M HA 0.682 5.162 4.480 0.000 0.000 0.294 520 M C -1.286 175.060 176.300 0.077 0.000 1.158 520 M CA -0.626 54.714 55.300 0.067 0.000 0.899 520 M CB 2.137 34.892 32.600 0.258 0.000 1.687 520 M HN 0.358 nan 8.290 nan 0.000 0.455 521 V N 0.734 120.620 119.914 -0.046 0.000 2.760 521 V HA 0.792 4.912 4.120 0.000 0.000 0.309 521 V C -0.617 175.339 176.094 -0.231 0.000 1.077 521 V CA -0.527 61.717 62.300 -0.093 0.000 0.910 521 V CB 2.157 33.932 31.823 -0.079 0.000 1.008 521 V HN 0.937 nan 8.190 nan 0.000 0.424 522 T N 1.864 116.244 114.554 -0.291 0.000 3.041 522 T HA 0.305 4.655 4.350 0.000 0.000 0.321 522 T C -1.123 173.468 174.700 -0.181 0.000 1.184 522 T CA -0.560 61.347 62.100 -0.323 0.000 1.050 522 T CB 1.668 70.174 68.868 -0.605 0.000 1.159 522 T HN 0.733 nan 8.240 nan 0.000 0.469 523 D N 2.748 123.074 120.400 -0.125 0.000 2.472 523 D HA 0.115 4.755 4.640 0.000 0.000 0.237 523 D C 0.276 176.536 176.300 -0.067 0.000 1.141 523 D CA 0.235 54.192 54.000 -0.072 0.000 0.875 523 D CB 0.683 41.449 40.800 -0.056 0.000 1.192 523 D HN 0.500 nan 8.370 nan 0.000 0.450 524 L N 3.161 124.369 121.223 -0.026 0.000 2.456 524 L HA 0.427 4.767 4.340 0.000 0.000 0.277 524 L C -1.244 175.620 176.870 -0.010 0.000 1.124 524 L CA -0.066 54.771 54.840 -0.004 0.000 0.880 524 L CB 0.009 42.078 42.059 0.017 0.000 1.192 524 L HN 0.471 nan 8.230 nan 0.000 0.463 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 nan 63.100 nan 0.000 0.800 525 P CB 0.000 nan 31.700 nan 0.000 0.726