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 1ep2_1_A DATA FIRST_RESID 3 DATA SEQUENCE ENNRLSVKLP GLDLKNPIIP ASGCFGFGEE YAKYYDLNKL GSIMVKATTL DATA SEQUENCE HPRFGNPTPR VAETASGMLN AIGLQNPGLE VIMTEKLPWL NENFPELPII DATA SEQUENCE ANVAGSEEAD YVAVCAKIGD AANVKAIELN ISCPNXXXXG QAFGTDPEVA DATA SEQUENCE AALVKACKAV SKVPLYVKLS PNVTDIVPIA KAVEAAGADG LTMINTLMGV DATA SEQUENCE RFDLKTRQPI LANITGGLSG PAIKPVALKL IHQVAQDVDI PIIGMGGVAN DATA SEQUENCE AQDVLEMYMA GASAVAVGTA NFADPFVCPK IIDKLPELMD QYRIESLESL DATA SEQUENCE IQEVKEGKK 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 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.606 176.600 0.010 0.000 1.382 3 E CA 0.000 56.409 56.400 0.015 0.000 0.976 3 E CB 0.000 29.708 29.700 0.013 0.000 0.812 4 N N -0.961 117.741 118.700 0.004 0.000 2.357 4 N HA 0.336 5.076 4.740 -0.000 0.000 0.284 4 N C -0.068 175.441 175.510 -0.002 0.000 1.236 4 N CA -0.451 52.600 53.050 0.001 0.000 0.774 4 N CB 0.778 39.264 38.487 -0.002 0.000 1.534 4 N HN 0.131 nan 8.380 nan 0.000 0.478 5 N N 0.482 119.180 118.700 -0.002 0.000 2.132 5 N HA -0.207 4.532 4.740 -0.000 0.000 0.191 5 N C 0.911 176.415 175.510 -0.010 0.000 1.015 5 N CA 1.481 54.529 53.050 -0.003 0.000 0.864 5 N CB -0.257 38.228 38.487 -0.003 0.000 1.006 5 N HN 0.558 nan 8.380 nan 0.000 0.430 6 R N -0.533 119.958 120.500 -0.016 0.000 2.193 6 R HA 0.005 4.344 4.340 -0.000 0.000 0.229 6 R C 0.815 177.091 176.300 -0.041 0.000 1.110 6 R CA 0.640 56.723 56.100 -0.029 0.000 0.988 6 R CB -0.109 30.174 30.300 -0.030 0.000 0.871 6 R HN 0.157 nan 8.270 nan 0.000 0.458 7 L N -0.167 121.039 121.223 -0.028 0.000 2.556 7 L HA 0.157 4.496 4.340 -0.000 0.000 0.226 7 L C 0.327 177.192 176.870 -0.008 0.000 1.089 7 L CA 0.801 55.624 54.840 -0.028 0.000 0.864 7 L CB 0.335 42.384 42.059 -0.017 0.000 1.067 7 L HN -0.132 nan 8.230 nan 0.000 0.477 8 S N -0.093 115.606 115.700 -0.002 0.000 2.549 8 S HA 0.472 4.941 4.470 -0.000 0.000 0.279 8 S C -0.200 174.413 174.600 0.021 0.000 1.321 8 S CA -0.372 57.835 58.200 0.011 0.000 1.054 8 S CB 0.972 64.178 63.200 0.010 0.000 0.899 8 S HN 0.080 nan 8.310 nan 0.000 0.497 9 V N 1.372 121.307 119.914 0.035 0.000 2.789 9 V HA 0.657 4.777 4.120 -0.000 0.000 0.311 9 V C -0.941 175.179 176.094 0.044 0.000 1.073 9 V CA -1.140 61.191 62.300 0.051 0.000 0.921 9 V CB 1.713 33.589 31.823 0.088 0.000 1.009 9 V HN 0.710 nan 8.190 nan 0.000 0.426 10 K N 3.499 123.927 120.400 0.046 0.000 2.307 10 K HA 0.764 5.084 4.320 -0.000 0.000 0.263 10 K C -1.579 175.056 176.600 0.058 0.000 0.973 10 K CA -0.559 55.754 56.287 0.044 0.000 0.846 10 K CB 1.780 34.302 32.500 0.036 0.000 1.100 10 K HN 0.477 nan 8.250 nan 0.000 0.438 11 L N 3.782 125.047 121.223 0.071 0.000 2.354 11 L HA 0.478 4.818 4.340 -0.000 0.000 0.264 11 L C -2.474 174.477 176.870 0.135 0.000 1.008 11 L CA -2.546 52.363 54.840 0.115 0.000 0.819 11 L CB 1.480 43.621 42.059 0.138 0.000 1.339 11 L HN 0.396 nan 8.230 nan 0.000 0.420 12 P HA 0.146 nan 4.420 nan 0.000 0.258 12 P C 0.725 178.136 177.300 0.184 0.000 1.172 12 P CA 1.242 64.413 63.100 0.119 0.000 0.762 12 P CB 0.345 32.057 31.700 0.020 0.000 0.764 13 G N 2.743 111.609 108.800 0.109 0.000 2.257 13 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.267 13 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.267 13 G C -0.083 174.862 174.900 0.074 0.000 0.984 13 G CA -0.050 45.108 45.100 0.097 0.000 0.626 13 G HN 0.493 nan 8.290 nan 0.000 0.540 14 L N 0.817 122.085 121.223 0.076 0.000 2.342 14 L HA 0.503 4.843 4.340 -0.000 0.000 0.276 14 L C -0.984 175.904 176.870 0.029 0.000 0.997 14 L CA -0.817 54.042 54.840 0.031 0.000 0.838 14 L CB 1.895 43.948 42.059 -0.010 0.000 1.224 14 L HN -0.015 nan 8.230 nan 0.000 0.416 15 D N 4.734 125.147 120.400 0.021 0.000 2.493 15 D HA 0.357 4.996 4.640 -0.000 0.000 0.235 15 D C -0.526 175.781 176.300 0.013 0.000 1.117 15 D CA -0.191 53.821 54.000 0.020 0.000 0.930 15 D CB 0.586 41.398 40.800 0.021 0.000 1.010 15 D HN 0.281 nan 8.370 nan 0.000 0.514 16 L N 3.256 124.485 121.223 0.010 0.000 2.326 16 L HA 0.319 4.658 4.340 -0.000 0.000 0.278 16 L C 1.949 178.824 176.870 0.009 0.000 1.092 16 L CA -0.584 54.258 54.840 0.003 0.000 0.810 16 L CB 1.333 43.389 42.059 -0.005 0.000 1.153 16 L HN 0.247 nan 8.230 nan 0.000 0.439 17 K N 1.441 121.845 120.400 0.007 0.000 2.228 17 K HA -0.013 4.307 4.320 -0.000 0.000 0.202 17 K C -0.010 176.595 176.600 0.008 0.000 1.051 17 K CA 0.690 56.983 56.287 0.011 0.000 0.960 17 K CB -0.098 32.411 32.500 0.015 0.000 0.743 17 K HN 0.789 nan 8.250 nan 0.000 0.458 18 N N -1.073 117.631 118.700 0.006 0.000 2.710 18 N HA 0.176 4.916 4.740 -0.000 0.000 0.257 18 N C -2.876 172.641 175.510 0.012 0.000 1.327 18 N CA -1.753 51.302 53.050 0.008 0.000 0.861 18 N CB 1.656 40.144 38.487 0.002 0.000 1.532 18 N HN -0.302 nan 8.380 nan 0.000 0.499 19 P HA 0.179 nan 4.420 nan 0.000 0.255 19 P C -0.491 176.811 177.300 0.002 0.000 1.301 19 P CA 0.253 63.384 63.100 0.051 0.000 0.817 19 P CB 0.084 31.891 31.700 0.177 0.000 1.259 20 I N 1.807 122.363 120.570 -0.023 0.000 2.301 20 I HA 0.266 4.436 4.170 -0.000 0.000 0.292 20 I C 0.744 176.790 176.117 -0.119 0.000 1.046 20 I CA -0.898 60.364 61.300 -0.063 0.000 1.282 20 I CB 0.187 38.154 38.000 -0.054 0.000 1.409 20 I HN -0.092 nan 8.210 nan 0.000 0.484 21 I N 8.249 128.725 120.570 -0.157 0.000 2.447 21 I HA 0.337 4.506 4.170 -0.000 0.000 0.287 21 I C -2.482 173.462 176.117 -0.288 0.000 1.023 21 I CA -1.990 59.177 61.300 -0.222 0.000 1.083 21 I CB 2.355 40.239 38.000 -0.193 0.000 1.245 21 I HN 0.211 nan 8.210 nan 0.000 0.434 22 P HA 0.099 nan 4.420 nan 0.000 0.268 22 P C -0.432 176.659 177.300 -0.347 0.000 1.204 22 P CA -0.051 62.735 63.100 -0.523 0.000 0.768 22 P CB 0.760 31.752 31.700 -1.179 0.000 0.842 23 A N 3.260 125.931 122.820 -0.248 0.000 2.351 23 A HA 0.300 4.619 4.320 -0.000 0.000 0.257 23 A C 0.677 178.181 177.584 -0.133 0.000 1.087 23 A CA -0.082 51.850 52.037 -0.175 0.000 0.798 23 A CB -0.122 18.787 19.000 -0.151 0.000 1.033 23 A HN 0.473 nan 8.150 nan 0.000 0.488 24 S N 0.567 116.202 115.700 -0.108 0.000 2.546 24 S HA 0.388 4.858 4.470 -0.000 0.000 0.290 24 S C 1.484 176.047 174.600 -0.062 0.000 1.290 24 S CA 1.166 59.313 58.200 -0.088 0.000 1.069 24 S CB -0.281 62.876 63.200 -0.072 0.000 0.846 24 S HN 2.467 nan 8.310 nan 0.000 0.495 25 G N 2.969 111.727 108.800 -0.070 0.000 2.199 25 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.254 25 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.254 25 G C 0.738 175.682 174.900 0.073 0.000 0.982 25 G CA 0.276 45.359 45.100 -0.028 0.000 0.632 25 G HN 0.868 nan 8.290 nan 0.000 0.529 26 C N -0.929 118.416 119.300 0.074 0.000 3.038 26 C HA 0.624 5.084 4.460 -0.000 0.000 0.279 26 C C 1.197 176.326 174.990 0.232 0.000 1.276 26 C CA 0.505 59.623 59.018 0.166 0.000 1.697 26 C CB -0.758 26.899 27.740 -0.139 0.000 2.032 26 C HN 0.448 nan 8.230 nan 0.000 0.636 27 F N 0.549 120.451 119.950 -0.081 0.000 2.899 27 F HA 0.429 4.956 4.527 -0.000 0.000 0.337 27 F C 1.557 177.328 175.800 -0.048 0.000 1.129 27 F CA 0.651 58.586 58.000 -0.108 0.000 1.128 27 F CB 0.005 38.868 39.000 -0.228 0.000 1.154 27 F HN 0.296 nan 8.300 nan 0.000 0.531 28 G N 1.469 110.255 108.800 -0.023 0.000 2.622 28 G HA2 -0.388 3.571 3.960 -0.000 0.000 0.307 28 G HA3 -0.388 3.571 3.960 -0.000 0.000 0.307 28 G C 0.333 174.984 174.900 -0.415 0.000 1.226 28 G CA 0.792 45.760 45.100 -0.220 0.000 0.997 28 G HN 0.196 nan 8.290 nan 0.000 0.551 29 F N 2.377 122.361 119.950 0.057 0.000 2.735 29 F HA 0.505 5.031 4.527 -0.001 0.000 0.304 29 F C 1.787 177.675 175.800 0.147 0.000 1.119 29 F CA 0.821 58.877 58.000 0.094 0.000 1.280 29 F CB 0.827 39.854 39.000 0.045 0.000 0.994 29 F HN 1.539 nan 8.300 nan 0.000 0.520 30 G N 0.138 109.085 108.800 0.244 0.000 2.225 30 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.254 30 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.254 30 G C 1.194 176.136 174.900 0.070 0.000 0.988 30 G CA 0.774 46.019 45.100 0.241 0.000 0.625 30 G HN 0.391 nan 8.290 nan 0.000 0.527 31 E N 0.963 121.067 120.200 -0.160 0.000 2.038 31 E HA 0.006 4.356 4.350 -0.000 0.000 0.195 31 E C 2.113 178.590 176.600 -0.206 0.000 1.000 31 E CA 1.811 57.944 56.400 -0.445 0.000 0.803 31 E CB -0.289 29.047 29.700 -0.608 0.000 0.750 31 E HN 0.648 nan 8.360 nan 0.000 0.448 32 E N 0.046 120.120 120.200 -0.210 0.000 2.051 32 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 32 E C 1.752 178.176 176.600 -0.294 0.000 0.991 32 E CA 1.101 57.349 56.400 -0.252 0.000 0.799 32 E CB -0.380 29.110 29.700 -0.351 0.000 0.748 32 E HN 0.381 nan 8.360 nan 0.000 0.449 33 Y N 0.230 120.276 120.300 -0.423 0.000 2.561 33 Y HA 0.093 4.643 4.550 -0.000 0.000 0.291 33 Y C 2.110 177.825 175.900 -0.308 0.000 1.141 33 Y CA 0.522 58.318 58.100 -0.507 0.000 1.303 33 Y CB -0.195 37.586 38.460 -1.133 0.000 1.015 33 Y HN 0.061 nan 8.280 nan 0.000 0.547 34 A N 0.339 123.163 122.820 0.006 0.000 2.015 34 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 34 A C 2.093 179.776 177.584 0.166 0.000 1.163 34 A CA 1.315 53.454 52.037 0.170 0.000 0.646 34 A CB -0.343 18.960 19.000 0.505 0.000 0.806 34 A HN 0.396 nan 8.150 nan 0.000 0.448 35 K N -1.542 118.928 120.400 0.118 0.000 2.148 35 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 35 K C 1.589 178.190 176.600 0.002 0.000 1.050 35 K CA 1.533 57.852 56.287 0.053 0.000 0.942 35 K CB -0.285 32.203 32.500 -0.019 0.000 0.724 35 K HN 0.613 nan 8.250 nan 0.000 0.446 36 Y N -0.647 119.646 120.300 -0.011 0.000 2.269 36 Y HA -0.055 4.495 4.550 -0.000 0.000 0.294 36 Y C 0.734 176.877 175.900 0.405 0.000 1.120 36 Y CA 0.431 58.604 58.100 0.122 0.000 1.159 36 Y CB 0.168 38.562 38.460 -0.112 0.000 1.024 36 Y HN 0.065 nan 8.280 nan 0.000 0.532 37 Y N -3.936 116.588 120.300 0.373 0.000 2.689 37 Y HA 0.416 4.966 4.550 -0.000 0.000 0.333 37 Y C -1.487 174.592 175.900 0.297 0.000 1.208 37 Y CA -2.491 55.816 58.100 0.345 0.000 1.055 37 Y CB 0.418 39.120 38.460 0.403 0.000 1.304 37 Y HN -0.281 nan 8.280 nan 0.000 0.455 38 D N 1.483 122.171 120.400 0.481 0.000 2.349 38 D HA 0.093 4.733 4.640 -0.000 0.000 0.266 38 D C 0.599 177.100 176.300 0.334 0.000 1.293 38 D CA 0.138 54.375 54.000 0.395 0.000 0.926 38 D CB 0.965 41.965 40.800 0.335 0.000 1.090 38 D HN 0.641 nan 8.370 nan 0.000 0.502 39 L N 4.063 125.311 121.223 0.041 0.000 2.349 39 L HA -0.111 4.229 4.340 -0.000 0.000 0.220 39 L C 1.829 178.619 176.870 -0.134 0.000 1.130 39 L CA 0.940 55.627 54.840 -0.254 0.000 0.791 39 L CB -0.764 40.735 42.059 -0.934 0.000 0.918 39 L HN 0.514 nan 8.230 nan 0.000 0.444 40 N N -0.404 118.336 118.700 0.066 0.000 2.573 40 N HA -0.132 4.608 4.740 -0.000 0.000 0.187 40 N C 1.543 177.118 175.510 0.109 0.000 1.107 40 N CA 0.520 53.647 53.050 0.129 0.000 0.918 40 N CB 0.073 38.700 38.487 0.233 0.000 0.966 40 N HN 0.438 nan 8.380 nan 0.000 0.448 41 K N 0.218 120.705 120.400 0.145 0.000 2.366 41 K HA 0.089 4.409 4.320 -0.000 0.000 0.198 41 K C 0.469 177.108 176.600 0.065 0.000 1.044 41 K CA 0.257 56.613 56.287 0.115 0.000 0.973 41 K CB 0.231 32.819 32.500 0.145 0.000 0.767 41 K HN 0.113 nan 8.250 nan 0.000 0.475 42 L N -0.702 120.552 121.223 0.052 0.000 2.418 42 L HA 0.153 4.493 4.340 -0.000 0.000 0.265 42 L C 1.698 178.546 176.870 -0.036 0.000 1.143 42 L CA -0.439 54.392 54.840 -0.016 0.000 0.809 42 L CB 0.968 42.982 42.059 -0.076 0.000 1.124 42 L HN 0.067 nan 8.230 nan 0.000 0.456 43 G N -0.015 108.752 108.800 -0.055 0.000 2.403 43 G HA2 0.015 3.974 3.960 -0.000 0.000 0.216 43 G HA3 0.015 3.974 3.960 -0.000 0.000 0.216 43 G C 0.557 175.419 174.900 -0.064 0.000 1.154 43 G CA 0.867 45.940 45.100 -0.046 0.000 0.784 43 G HN 0.558 nan 8.290 nan 0.000 0.538 44 S N -2.017 113.618 115.700 -0.107 0.000 2.656 44 S HA 0.560 5.030 4.470 -0.000 0.000 0.265 44 S C -2.138 172.349 174.600 -0.189 0.000 1.132 44 S CA -0.791 57.337 58.200 -0.119 0.000 0.819 44 S CB 0.515 63.648 63.200 -0.113 0.000 1.119 44 S HN 0.126 nan 8.310 nan 0.000 0.476 45 I N 1.684 122.148 120.570 -0.176 0.000 2.686 45 I HA 0.451 4.621 4.170 -0.000 0.000 0.295 45 I C -0.883 175.137 176.117 -0.163 0.000 1.114 45 I CA -0.592 60.563 61.300 -0.242 0.000 1.038 45 I CB 2.157 40.044 38.000 -0.188 0.000 1.238 45 I HN 0.570 nan 8.210 nan 0.000 0.420 46 M N 6.428 125.914 119.600 -0.189 0.000 2.055 46 M HA 0.295 4.775 4.480 -0.000 0.000 0.346 46 M C -0.105 176.131 176.300 -0.107 0.000 1.074 46 M CA -0.778 54.444 55.300 -0.130 0.000 1.009 46 M CB 1.120 33.634 32.600 -0.143 0.000 1.423 46 M HN 0.435 nan 8.290 nan 0.000 0.410 47 V N 0.146 120.022 119.914 -0.064 0.000 3.319 47 V HA 0.410 4.529 4.120 -0.000 0.000 0.303 47 V C 0.370 176.338 176.094 -0.211 0.000 1.094 47 V CA -0.913 61.310 62.300 -0.128 0.000 1.106 47 V CB 0.480 32.310 31.823 0.013 0.000 1.099 47 V HN 0.728 nan 8.190 nan 0.000 0.476 48 K N 1.932 122.040 120.400 -0.487 0.000 2.440 48 K HA 0.413 4.733 4.320 -0.000 0.000 0.270 48 K C 0.306 176.822 176.600 -0.139 0.000 0.980 48 K CA 0.826 56.895 56.287 -0.363 0.000 0.953 48 K CB 0.080 32.242 32.500 -0.562 0.000 0.925 48 K HN 1.325 nan 8.250 nan 0.000 0.497 49 A N 3.191 125.975 122.820 -0.060 0.000 2.565 49 A HA 0.138 4.458 4.320 -0.000 0.000 0.237 49 A C -0.278 177.338 177.584 0.054 0.000 1.053 49 A CA 0.539 52.576 52.037 -0.001 0.000 0.755 49 A CB -0.350 18.644 19.000 -0.010 0.000 0.980 49 A HN 0.692 nan 8.150 nan 0.000 0.506 50 T N 2.217 116.804 114.554 0.056 0.000 2.824 50 T HA 0.641 4.991 4.350 -0.000 0.000 0.280 50 T C 0.324 175.015 174.700 -0.016 0.000 0.995 50 T CA 0.123 62.263 62.100 0.067 0.000 1.009 50 T CB 1.302 70.218 68.868 0.080 0.000 0.955 50 T HN 0.956 nan 8.240 nan 0.000 0.452 51 T N 0.726 115.268 114.554 -0.021 0.000 2.924 51 T HA 0.519 4.869 4.350 -0.000 0.000 0.291 51 T C 1.319 175.968 174.700 -0.084 0.000 1.045 51 T CA -1.014 61.044 62.100 -0.070 0.000 1.015 51 T CB 1.151 69.998 68.868 -0.036 0.000 1.103 51 T HN 0.365 nan 8.240 nan 0.000 0.496 52 L N 0.186 121.324 121.223 -0.142 0.000 2.013 52 L HA -0.056 4.283 4.340 -0.000 0.000 0.212 52 L C 0.615 177.256 176.870 -0.381 0.000 1.073 52 L CA 1.613 56.289 54.840 -0.273 0.000 0.753 52 L CB -0.270 41.581 42.059 -0.347 0.000 0.890 52 L HN 0.701 nan 8.230 nan 0.000 0.432 53 H N -0.517 118.548 119.070 -0.007 0.000 2.529 53 H HA 0.331 4.887 4.556 -0.000 0.000 0.348 53 H C -2.125 173.211 175.328 0.013 0.000 1.152 53 H CA -2.372 53.679 56.048 0.005 0.000 1.202 53 H CB 1.205 30.972 29.762 0.009 0.000 1.562 53 H HN 0.024 nan 8.280 nan 0.000 0.515 54 P HA 0.072 nan 4.420 nan 0.000 0.267 54 P C -0.415 176.951 177.300 0.110 0.000 1.200 54 P CA 0.117 63.276 63.100 0.098 0.000 0.772 54 P CB 1.273 33.025 31.700 0.086 0.000 0.855 55 R N 1.475 122.034 120.500 0.097 0.000 2.621 55 R HA 0.290 4.630 4.340 -0.000 0.000 0.284 55 R C 0.498 176.870 176.300 0.120 0.000 0.998 55 R CA -0.607 55.557 56.100 0.105 0.000 0.895 55 R CB 1.309 31.651 30.300 0.071 0.000 1.195 55 R HN 0.383 nan 8.270 nan 0.000 0.450 56 F N 1.453 121.414 119.950 0.019 0.000 2.149 56 F HA 0.230 4.757 4.527 -0.000 0.000 0.294 56 F C 1.058 176.864 175.800 0.010 0.000 1.095 56 F CA 1.996 60.004 58.000 0.012 0.000 1.276 56 F CB 0.353 39.356 39.000 0.005 0.000 1.023 56 F HN 0.774 nan 8.300 nan 0.000 0.480 57 G N 0.422 109.256 108.800 0.057 0.000 2.396 57 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.254 57 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.254 57 G C -1.263 173.681 174.900 0.073 0.000 1.248 57 G CA -0.473 44.600 45.100 -0.043 0.000 1.033 57 G HN 0.360 nan 8.290 nan 0.000 0.502 58 N N 1.420 120.125 118.700 0.007 0.000 2.493 58 N HA 0.625 5.365 4.740 -0.000 0.000 0.275 58 N C -2.337 173.226 175.510 0.089 0.000 1.186 58 N CA -0.937 52.145 53.050 0.054 0.000 0.978 58 N CB 0.609 39.103 38.487 0.012 0.000 1.184 58 N HN 0.316 nan 8.380 nan 0.000 0.487 59 P HA 0.096 nan 4.420 nan 0.000 0.272 59 P C -0.214 177.120 177.300 0.058 0.000 1.240 59 P CA -0.064 63.106 63.100 0.118 0.000 0.791 59 P CB 0.313 32.056 31.700 0.072 0.000 0.978 60 T N -1.125 113.464 114.554 0.057 0.000 2.918 60 T HA 0.506 4.856 4.350 -0.000 0.000 0.283 60 T C -2.359 172.344 174.700 0.005 0.000 1.001 60 T CA -1.859 60.252 62.100 0.017 0.000 1.041 60 T CB -0.252 68.629 68.868 0.021 0.000 1.028 60 T HN 0.148 nan 8.240 nan 0.000 0.511 61 P HA 0.380 nan 4.420 nan 0.000 0.271 61 P C 0.227 177.507 177.300 -0.033 0.000 1.218 61 P CA -0.622 62.464 63.100 -0.025 0.000 0.780 61 P CB 0.649 32.332 31.700 -0.029 0.000 0.901 62 R N 0.728 121.202 120.500 -0.044 0.000 2.404 62 R HA 0.223 4.563 4.340 -0.000 0.000 0.237 62 R C 0.180 176.450 176.300 -0.049 0.000 0.907 62 R CA 0.056 56.126 56.100 -0.050 0.000 1.063 62 R CB 0.447 30.706 30.300 -0.070 0.000 1.134 62 R HN 0.405 nan 8.270 nan 0.000 0.529 63 V N -3.290 116.594 119.914 -0.050 0.000 3.078 63 V HA 0.973 5.093 4.120 -0.000 0.000 0.311 63 V C -1.180 174.894 176.094 -0.033 0.000 1.138 63 V CA -1.228 61.047 62.300 -0.042 0.000 1.007 63 V CB 2.018 33.803 31.823 -0.063 0.000 1.045 63 V HN -0.011 nan 8.190 nan 0.000 0.432 64 A N 1.439 124.248 122.820 -0.018 0.000 2.606 64 A HA 0.823 5.143 4.320 -0.000 0.000 0.293 64 A C -1.019 176.568 177.584 0.005 0.000 1.082 64 A CA -0.533 51.497 52.037 -0.012 0.000 0.685 64 A CB 1.894 20.882 19.000 -0.020 0.000 1.284 64 A HN 1.141 nan 8.150 nan 0.000 0.408 65 E N 0.231 120.437 120.200 0.010 0.000 2.204 65 E HA 0.678 5.028 4.350 -0.000 0.000 0.276 65 E C -0.114 176.499 176.600 0.023 0.000 0.974 65 E CA -0.118 56.294 56.400 0.022 0.000 0.815 65 E CB 1.360 31.073 29.700 0.022 0.000 1.119 65 E HN 0.865 nan 8.360 nan 0.000 0.393 66 T N -0.475 114.095 114.554 0.027 0.000 2.831 66 T HA 0.672 5.022 4.350 -0.000 0.000 0.287 66 T C -0.400 174.315 174.700 0.025 0.000 1.070 66 T CA -0.813 61.302 62.100 0.026 0.000 1.010 66 T CB 1.193 70.076 68.868 0.025 0.000 1.264 66 T HN 0.461 nan 8.240 nan 0.000 0.532 67 A N 0.795 123.628 122.820 0.023 0.000 2.484 67 A HA 0.529 4.849 4.320 -0.000 0.000 0.268 67 A C 1.096 178.691 177.584 0.019 0.000 1.114 67 A CA 0.261 52.311 52.037 0.021 0.000 0.780 67 A CB -1.416 17.596 19.000 0.019 0.000 1.061 67 A HN 1.671 nan 8.150 nan 0.000 0.505 68 S N 0.559 116.270 115.700 0.019 0.000 3.587 68 S HA -0.130 4.340 4.470 -0.000 0.000 0.337 68 S C 0.642 175.252 174.600 0.016 0.000 1.119 68 S CA 1.348 59.557 58.200 0.016 0.000 0.976 68 S CB -1.533 61.673 63.200 0.011 0.000 0.922 68 S HN 2.298 nan 8.310 nan 0.000 0.503 69 G N -0.345 108.469 108.800 0.023 0.000 2.489 69 G HA2 0.727 4.686 3.960 -0.000 0.000 0.305 69 G HA3 0.727 4.686 3.960 -0.000 0.000 0.305 69 G C -1.203 173.720 174.900 0.038 0.000 1.311 69 G CA -0.271 44.844 45.100 0.025 0.000 0.813 69 G HN 0.859 nan 8.290 nan 0.000 0.480 70 M N -1.545 118.081 119.600 0.044 0.000 2.644 70 M HA 0.867 5.347 4.480 -0.000 0.000 0.273 70 M C -2.252 174.073 176.300 0.042 0.000 1.253 70 M CA -0.897 54.434 55.300 0.052 0.000 0.852 70 M CB 2.069 34.724 32.600 0.091 0.000 1.708 70 M HN 0.490 nan 8.290 nan 0.000 0.471 71 L N 2.599 123.840 121.223 0.030 0.000 2.342 71 L HA 0.748 5.088 4.340 -0.000 0.000 0.271 71 L C -1.017 175.863 176.870 0.017 0.000 1.008 71 L CA 0.078 54.928 54.840 0.017 0.000 0.818 71 L CB 2.093 44.151 42.059 -0.001 0.000 1.296 71 L HN 1.014 nan 8.230 nan 0.000 0.427 72 N N 1.119 119.827 118.700 0.014 0.000 2.331 72 N HA 0.773 5.513 4.740 -0.000 0.000 0.280 72 N C -1.392 174.115 175.510 -0.005 0.000 1.155 72 N CA -0.484 52.570 53.050 0.006 0.000 0.822 72 N CB 2.221 40.727 38.487 0.032 0.000 1.619 72 N HN 0.595 nan 8.380 nan 0.000 0.476 73 A N 1.870 124.679 122.820 -0.018 0.000 3.448 73 A HA 0.309 4.629 4.320 -0.000 0.000 0.232 73 A C 0.543 178.108 177.584 -0.031 0.000 1.018 73 A CA -0.536 51.489 52.037 -0.019 0.000 0.996 73 A CB -0.482 18.505 19.000 -0.021 0.000 1.283 73 A HN 0.603 nan 8.150 nan 0.000 0.586 74 I N 0.490 121.038 120.570 -0.038 0.000 2.208 74 I HA -0.097 4.072 4.170 -0.000 0.000 0.245 74 I C 1.934 178.010 176.117 -0.067 0.000 1.097 74 I CA 2.418 63.678 61.300 -0.067 0.000 1.363 74 I CB -1.403 36.558 38.000 -0.064 0.000 1.051 74 I HN 1.059 nan 8.210 nan 0.000 0.413 75 G N 0.630 109.410 108.800 -0.034 0.000 2.142 75 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.225 75 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.225 75 G C 0.374 175.264 174.900 -0.016 0.000 1.015 75 G CA 0.093 45.183 45.100 -0.017 0.000 0.716 75 G HN 0.232 nan 8.290 nan 0.000 0.508 76 L N -1.509 119.702 121.223 -0.020 0.000 3.608 76 L HA -0.147 4.193 4.340 -0.000 0.000 0.422 76 L C 1.023 177.882 176.870 -0.019 0.000 1.260 76 L CA 1.746 56.577 54.840 -0.014 0.000 0.889 76 L CB -1.696 40.364 42.059 0.002 0.000 1.821 76 L HN 0.989 nan 8.230 nan 0.000 0.884 77 Q N 1.235 121.003 119.800 -0.053 0.000 2.311 77 Q HA 0.423 4.763 4.340 -0.000 0.000 0.272 77 Q C 0.395 176.394 176.000 -0.002 0.000 1.012 77 Q CA 0.639 56.404 55.803 -0.063 0.000 0.891 77 Q CB 0.570 29.206 28.738 -0.170 0.000 1.201 77 Q HN 0.668 nan 8.270 nan 0.000 0.391 78 N N 1.885 120.611 118.700 0.044 0.000 2.745 78 N HA 0.322 5.062 4.740 -0.000 0.000 0.256 78 N C -2.689 172.879 175.510 0.096 0.000 1.268 78 N CA -1.234 51.889 53.050 0.120 0.000 0.887 78 N CB 1.521 40.099 38.487 0.151 0.000 1.575 78 N HN 0.216 nan 8.380 nan 0.000 0.496 79 P HA 0.127 nan 4.420 nan 0.000 0.242 79 P C 0.374 177.687 177.300 0.022 0.000 1.197 79 P CA 1.118 64.241 63.100 0.038 0.000 0.765 79 P CB -0.356 31.336 31.700 -0.013 0.000 0.936 80 G N 0.300 109.119 108.800 0.031 0.000 2.699 80 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.686 80 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.686 80 G C 0.011 174.897 174.900 -0.022 0.000 1.301 80 G CA -0.347 44.759 45.100 0.009 0.000 0.816 80 G HN 0.216 nan 8.290 nan 0.000 0.595 81 L N 0.417 121.614 121.223 -0.044 0.000 1.989 81 L HA 0.051 4.390 4.340 -0.000 0.000 0.211 81 L C 2.584 179.426 176.870 -0.047 0.000 1.071 81 L CA 3.149 57.960 54.840 -0.048 0.000 0.749 81 L CB -0.702 41.316 42.059 -0.069 0.000 0.890 81 L HN 0.891 nan 8.230 nan 0.000 0.431 82 E N -0.904 119.270 120.200 -0.044 0.000 2.049 82 E HA -0.244 4.106 4.350 -0.000 0.000 0.198 82 E C 2.048 178.624 176.600 -0.040 0.000 1.007 82 E CA 2.233 58.613 56.400 -0.033 0.000 0.809 82 E CB -0.120 29.567 29.700 -0.021 0.000 0.749 82 E HN 0.433 nan 8.360 nan 0.000 0.450 83 V N 1.018 120.903 119.914 -0.048 0.000 2.427 83 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 83 V C 2.276 178.297 176.094 -0.122 0.000 1.051 83 V CA 1.449 63.706 62.300 -0.070 0.000 1.048 83 V CB -0.360 31.423 31.823 -0.068 0.000 0.666 83 V HN 0.314 nan 8.190 nan 0.000 0.456 84 I N -0.831 119.654 120.570 -0.141 0.000 2.315 84 I HA -0.202 3.967 4.170 -0.000 0.000 0.248 84 I C 2.459 178.508 176.117 -0.113 0.000 1.117 84 I CA 1.165 62.339 61.300 -0.210 0.000 1.404 84 I CB -0.247 37.655 38.000 -0.164 0.000 1.071 84 I HN 0.250 nan 8.210 nan 0.000 0.419 85 M N 0.066 119.629 119.600 -0.061 0.000 2.200 85 M HA -0.090 4.389 4.480 -0.000 0.000 0.265 85 M C 2.454 178.742 176.300 -0.020 0.000 1.066 85 M CA 1.908 57.192 55.300 -0.028 0.000 1.127 85 M CB -1.361 31.227 32.600 -0.019 0.000 1.379 85 M HN 0.369 nan 8.290 nan 0.000 0.420 86 T N -3.253 111.283 114.554 -0.029 0.000 3.044 86 T HA 0.117 4.467 4.350 -0.000 0.000 0.255 86 T C 1.581 176.277 174.700 -0.006 0.000 1.073 86 T CA 0.591 62.683 62.100 -0.014 0.000 1.125 86 T CB 0.272 69.132 68.868 -0.014 0.000 0.908 86 T HN 0.390 nan 8.240 nan 0.000 0.480 87 E N 0.335 120.517 120.200 -0.031 0.000 2.419 87 E HA 0.165 4.515 4.350 -0.000 0.000 0.197 87 E C 2.054 178.654 176.600 -0.001 0.000 0.920 87 E CA -0.301 56.090 56.400 -0.014 0.000 1.085 87 E CB 0.353 30.021 29.700 -0.053 0.000 1.084 87 E HN 0.044 nan 8.360 nan 0.000 0.490 88 K N 1.416 121.732 120.400 -0.139 0.000 1.978 88 K HA -0.097 4.223 4.320 -0.000 0.000 0.214 88 K C 2.309 178.938 176.600 0.048 0.000 1.049 88 K CA 1.163 57.332 56.287 -0.196 0.000 0.939 88 K CB -0.695 31.329 32.500 -0.793 0.000 0.721 88 K HN 0.119 nan 8.250 nan 0.000 0.441 89 L N 0.656 121.890 121.223 0.018 0.000 2.046 89 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 89 L C -0.561 176.383 176.870 0.124 0.000 1.077 89 L CA 1.233 56.135 54.840 0.102 0.000 0.747 89 L CB -1.477 40.620 42.059 0.064 0.000 0.896 89 L HN 0.117 nan 8.230 nan 0.000 0.432 90 P HA -0.206 nan 4.420 nan 0.000 0.217 90 P C 1.191 178.555 177.300 0.106 0.000 1.150 90 P CA 1.179 64.326 63.100 0.079 0.000 0.832 90 P CB -0.069 31.667 31.700 0.060 0.000 0.787 91 W N 0.324 121.637 121.300 0.022 0.000 2.335 91 W HA -0.162 4.498 4.660 0.000 0.000 0.311 91 W C 1.826 178.404 176.519 0.099 0.000 1.213 91 W CA 1.437 58.808 57.345 0.044 0.000 1.274 91 W CB -0.912 28.576 29.460 0.047 0.000 1.148 91 W HN -0.202 nan 8.180 nan 0.000 0.498 92 L N 0.518 121.925 121.223 0.306 0.000 2.093 92 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 92 L C 2.241 179.155 176.870 0.073 0.000 1.085 92 L CA 1.768 56.755 54.840 0.246 0.000 0.755 92 L CB -1.032 41.249 42.059 0.370 0.000 0.904 92 L HN 0.061 nan 8.230 nan 0.000 0.435 93 N N -0.151 118.573 118.700 0.040 0.000 2.331 93 N HA -0.196 4.544 4.740 -0.000 0.000 0.180 93 N C 1.764 177.224 175.510 -0.083 0.000 1.019 93 N CA 0.962 54.014 53.050 0.004 0.000 0.881 93 N CB 0.191 38.689 38.487 0.019 0.000 0.972 93 N HN 0.296 nan 8.380 nan 0.000 0.435 94 E N -0.862 119.236 120.200 -0.170 0.000 2.122 94 E HA 0.008 4.358 4.350 -0.000 0.000 0.190 94 E C 1.076 177.459 176.600 -0.361 0.000 0.977 94 E CA 0.870 57.132 56.400 -0.230 0.000 0.820 94 E CB 0.105 29.668 29.700 -0.227 0.000 0.770 94 E HN 0.431 nan 8.360 nan 0.000 0.462 95 N N -1.038 117.306 118.700 -0.592 0.000 2.305 95 N HA 0.033 4.773 4.740 -0.000 0.000 0.179 95 N C -0.376 174.592 175.510 -0.904 0.000 1.019 95 N CA 0.635 53.163 53.050 -0.871 0.000 0.869 95 N CB 0.380 38.035 38.487 -1.388 0.000 1.000 95 N HN -0.001 nan 8.380 nan 0.000 0.431 96 F N -0.378 119.442 119.950 -0.216 0.000 2.531 96 F HA 0.409 4.935 4.527 -0.000 0.000 0.333 96 F C -1.957 173.805 175.800 -0.063 0.000 1.292 96 F CA -1.895 56.047 58.000 -0.098 0.000 1.184 96 F CB 1.779 40.750 39.000 -0.049 0.000 1.426 96 F HN -0.116 nan 8.300 nan 0.000 0.559 97 P HA -0.153 nan 4.420 nan 0.000 0.219 97 P C 0.682 178.013 177.300 0.052 0.000 1.146 97 P CA 1.471 64.587 63.100 0.025 0.000 0.808 97 P CB 0.236 31.927 31.700 -0.015 0.000 0.779 98 E N -1.353 118.891 120.200 0.074 0.000 2.463 98 E HA 0.133 4.483 4.350 -0.000 0.000 0.193 98 E C 0.266 176.909 176.600 0.071 0.000 1.041 98 E CA -0.259 56.179 56.400 0.064 0.000 0.879 98 E CB -0.001 29.733 29.700 0.056 0.000 0.997 98 E HN 0.230 nan 8.360 nan 0.000 0.478 99 L N 3.753 125.035 121.223 0.097 0.000 2.268 99 L HA 0.252 4.592 4.340 -0.000 0.000 0.289 99 L C -2.210 174.684 176.870 0.041 0.000 1.064 99 L CA -2.112 52.765 54.840 0.062 0.000 0.824 99 L CB 0.699 42.792 42.059 0.056 0.000 1.202 99 L HN -0.140 nan 8.230 nan 0.000 0.433 100 P HA 0.141 nan 4.420 nan 0.000 0.276 100 P C -0.784 176.513 177.300 -0.005 0.000 1.235 100 P CA -0.228 62.878 63.100 0.010 0.000 0.772 100 P CB 1.310 33.009 31.700 -0.001 0.000 0.871 101 I N 1.529 122.106 120.570 0.012 0.000 2.603 101 I HA 0.543 4.713 4.170 -0.000 0.000 0.300 101 I C -0.766 175.347 176.117 -0.008 0.000 1.017 101 I CA -1.248 60.055 61.300 0.005 0.000 1.098 101 I CB 1.630 39.662 38.000 0.054 0.000 1.279 101 I HN 0.147 nan 8.210 nan 0.000 0.437 102 I N 5.913 126.460 120.570 -0.038 0.000 2.339 102 I HA 0.590 4.759 4.170 -0.000 0.000 0.290 102 I C 0.193 176.303 176.117 -0.012 0.000 0.994 102 I CA -0.688 60.579 61.300 -0.055 0.000 1.191 102 I CB 1.603 39.523 38.000 -0.134 0.000 1.343 102 I HN 0.834 nan 8.210 nan 0.000 0.458 103 A N 6.575 129.407 122.820 0.020 0.000 2.276 103 A HA 0.286 4.606 4.320 -0.000 0.000 0.300 103 A C -0.123 177.484 177.584 0.038 0.000 1.235 103 A CA -0.548 51.519 52.037 0.049 0.000 0.867 103 A CB 0.296 19.336 19.000 0.067 0.000 1.137 103 A HN 0.801 nan 8.150 nan 0.000 0.527 104 N N 2.670 121.389 118.700 0.032 0.000 2.444 104 N HA 0.362 5.102 4.740 -0.000 0.000 0.271 104 N C -1.175 174.356 175.510 0.034 0.000 1.069 104 N CA 0.032 53.096 53.050 0.024 0.000 0.965 104 N CB 0.952 39.437 38.487 -0.003 0.000 1.092 104 N HN 0.302 nan 8.380 nan 0.000 0.476 105 V N 2.184 122.124 119.914 0.044 0.000 2.495 105 V HA 0.754 4.873 4.120 -0.000 0.000 0.298 105 V C 0.054 176.136 176.094 -0.020 0.000 1.031 105 V CA -0.597 61.712 62.300 0.016 0.000 0.871 105 V CB 1.097 32.950 31.823 0.051 0.000 0.988 105 V HN 0.845 nan 8.190 nan 0.000 0.432 106 A N 3.108 125.806 122.820 -0.203 0.000 2.524 106 A HA 1.098 5.418 4.320 -0.000 0.000 0.286 106 A C -0.079 176.999 177.584 -0.843 0.000 1.203 106 A CA -0.247 51.556 52.037 -0.390 0.000 0.736 106 A CB 2.090 21.018 19.000 -0.119 0.000 1.322 106 A HN 1.706 nan 8.150 nan 0.000 0.424 107 G N -1.936 106.386 108.800 -0.798 0.000 2.316 107 G HA2 0.524 4.484 3.960 -0.000 0.000 0.296 107 G HA3 0.524 4.484 3.960 -0.000 0.000 0.296 107 G C 0.147 175.018 174.900 -0.048 0.000 1.399 107 G CA 0.589 45.355 45.100 -0.555 0.000 0.833 107 G HN 1.645 nan 8.290 nan 0.000 0.565 108 S N -1.463 114.295 115.700 0.096 0.000 2.517 108 S HA 0.388 4.858 4.470 -0.000 0.000 0.214 108 S C 0.522 175.356 174.600 0.391 0.000 0.991 108 S CA 0.995 59.339 58.200 0.239 0.000 0.906 108 S CB -0.074 63.210 63.200 0.139 0.000 0.789 108 S HN 1.067 nan 8.310 nan 0.000 0.513 109 E N -0.173 120.274 120.200 0.411 0.000 2.423 109 E HA 0.366 4.716 4.350 -0.000 0.000 0.280 109 E C 0.049 176.891 176.600 0.404 0.000 1.030 109 E CA -0.905 55.782 56.400 0.478 0.000 0.812 109 E CB 0.420 30.285 29.700 0.275 0.000 1.313 109 E HN -0.031 nan 8.360 nan 0.000 0.456 110 E N 0.970 121.358 120.200 0.314 0.000 2.086 110 E HA -0.316 4.034 4.350 -0.000 0.000 0.200 110 E C 1.824 178.506 176.600 0.135 0.000 1.012 110 E CA 2.254 58.721 56.400 0.111 0.000 0.812 110 E CB -0.251 29.501 29.700 0.088 0.000 0.743 110 E HN 0.605 nan 8.360 nan 0.000 0.453 111 A N 0.933 123.830 122.820 0.127 0.000 1.940 111 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 111 A C 1.741 179.371 177.584 0.077 0.000 1.176 111 A CA 2.075 54.166 52.037 0.089 0.000 0.631 111 A CB -0.555 18.494 19.000 0.082 0.000 0.814 111 A HN 0.308 nan 8.150 nan 0.000 0.446 112 D N -1.546 118.907 120.400 0.088 0.000 2.097 112 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 112 D C 1.658 177.934 176.300 -0.040 0.000 0.984 112 D CA 1.302 55.304 54.000 0.004 0.000 0.826 112 D CB -0.419 40.361 40.800 -0.034 0.000 0.973 112 D HN 0.604 nan 8.370 nan 0.000 0.460 113 Y N 0.634 120.897 120.300 -0.061 0.000 2.145 113 Y HA -0.182 4.367 4.550 -0.000 0.000 0.286 113 Y C 2.552 178.414 175.900 -0.063 0.000 1.145 113 Y CA 0.662 58.709 58.100 -0.088 0.000 1.148 113 Y CB -0.705 37.651 38.460 -0.173 0.000 0.981 113 Y HN -0.167 nan 8.280 nan 0.000 0.507 114 V N -0.102 119.882 119.914 0.116 0.000 2.282 114 V HA -0.401 3.719 4.120 -0.000 0.000 0.249 114 V C 2.497 178.607 176.094 0.027 0.000 1.057 114 V CA 1.909 64.241 62.300 0.053 0.000 1.032 114 V CB -1.410 30.437 31.823 0.040 0.000 0.645 114 V HN 0.507 nan 8.190 nan 0.000 0.447 115 A N -0.474 122.353 122.820 0.012 0.000 1.902 115 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 115 A C 2.368 179.940 177.584 -0.021 0.000 1.181 115 A CA 2.212 54.242 52.037 -0.012 0.000 0.623 115 A CB -0.635 18.345 19.000 -0.034 0.000 0.818 115 A HN 0.363 nan 8.150 nan 0.000 0.443 116 V N -0.952 118.945 119.914 -0.028 0.000 2.323 116 V HA -0.282 3.838 4.120 -0.000 0.000 0.244 116 V C 2.640 178.734 176.094 0.001 0.000 1.041 116 V CA 1.894 64.178 62.300 -0.028 0.000 1.025 116 V CB -1.200 30.592 31.823 -0.051 0.000 0.656 116 V HN 0.695 nan 8.190 nan 0.000 0.451 117 C N 0.666 119.978 119.300 0.020 0.000 2.413 117 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 117 C C 3.079 178.081 174.990 0.020 0.000 1.265 117 C CA 0.912 59.948 59.018 0.030 0.000 1.752 117 C CB -1.421 26.343 27.740 0.040 0.000 1.998 117 C HN 0.631 nan 8.230 nan 0.000 0.489 118 A N -0.244 122.584 122.820 0.013 0.000 2.015 118 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 118 A C 2.061 179.649 177.584 0.007 0.000 1.163 118 A CA 2.099 54.141 52.037 0.009 0.000 0.646 118 A CB -0.270 18.734 19.000 0.007 0.000 0.806 118 A HN 0.569 nan 8.150 nan 0.000 0.448 119 K N -0.486 119.916 120.400 0.004 0.000 2.225 119 K HA 0.277 4.597 4.320 -0.000 0.000 0.204 119 K C 1.520 178.125 176.600 0.008 0.000 1.047 119 K CA 0.627 56.914 56.287 0.001 0.000 0.970 119 K CB -0.470 32.025 32.500 -0.009 0.000 0.939 119 K HN 0.225 nan 8.250 nan 0.000 0.472 120 I N 0.927 121.504 120.570 0.011 0.000 2.479 120 I HA -0.201 3.969 4.170 -0.000 0.000 0.258 120 I C 1.550 177.684 176.117 0.027 0.000 1.165 120 I CA 1.650 62.962 61.300 0.021 0.000 1.422 120 I CB -0.159 37.859 38.000 0.029 0.000 1.087 120 I HN 0.406 nan 8.210 nan 0.000 0.441 121 G N -0.677 108.138 108.800 0.025 0.000 2.598 121 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.215 121 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.215 121 G C 1.168 176.082 174.900 0.024 0.000 1.131 121 G CA 0.497 45.614 45.100 0.028 0.000 0.785 121 G HN 0.323 nan 8.290 nan 0.000 0.539 122 D N 1.110 121.521 120.400 0.019 0.000 2.219 122 D HA 0.056 4.696 4.640 -0.000 0.000 0.205 122 D C 1.834 178.145 176.300 0.018 0.000 0.970 122 D CA 0.660 54.670 54.000 0.016 0.000 0.851 122 D CB -0.160 40.647 40.800 0.011 0.000 0.943 122 D HN 0.291 nan 8.370 nan 0.000 0.488 123 A N 0.531 123.364 122.820 0.023 0.000 2.522 123 A HA 0.358 4.678 4.320 -0.000 0.000 0.256 123 A C 1.617 179.219 177.584 0.029 0.000 1.086 123 A CA 0.503 52.557 52.037 0.028 0.000 0.763 123 A CB 0.373 19.394 19.000 0.036 0.000 1.024 123 A HN 0.153 nan 8.150 nan 0.000 0.502 124 A N 3.278 126.113 122.820 0.026 0.000 1.917 124 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 124 A C 1.819 179.421 177.584 0.031 0.000 1.182 124 A CA 2.033 54.085 52.037 0.024 0.000 0.633 124 A CB -0.602 18.410 19.000 0.019 0.000 0.819 124 A HN 1.010 nan 8.150 nan 0.000 0.448 125 N N -0.240 118.484 118.700 0.039 0.000 2.463 125 N HA 0.014 4.753 4.740 -0.000 0.000 0.181 125 N C 0.087 175.626 175.510 0.048 0.000 1.078 125 N CA 0.613 53.691 53.050 0.047 0.000 0.902 125 N CB -0.664 37.861 38.487 0.063 0.000 0.970 125 N HN 0.193 nan 8.380 nan 0.000 0.451 126 V N 2.170 122.113 119.914 0.047 0.000 2.405 126 V HA 0.101 4.221 4.120 -0.000 0.000 0.264 126 V C 0.960 177.078 176.094 0.039 0.000 1.048 126 V CA -0.140 62.187 62.300 0.046 0.000 0.966 126 V CB 1.025 32.877 31.823 0.049 0.000 1.015 126 V HN 0.154 nan 8.190 nan 0.000 0.477 127 K N 3.321 123.741 120.400 0.033 0.000 2.361 127 K HA 0.498 4.818 4.320 -0.000 0.000 0.194 127 K C 0.376 177.010 176.600 0.058 0.000 1.032 127 K CA 0.495 56.804 56.287 0.038 0.000 1.048 127 K CB 1.110 33.627 32.500 0.028 0.000 0.842 127 K HN 0.705 nan 8.250 nan 0.000 0.526 128 A N 0.656 123.508 122.820 0.053 0.000 2.608 128 A HA 0.663 4.983 4.320 -0.000 0.000 0.292 128 A C -1.409 176.225 177.584 0.082 0.000 1.066 128 A CA -0.716 51.383 52.037 0.104 0.000 0.676 128 A CB 0.997 20.064 19.000 0.113 0.000 1.277 128 A HN 0.055 nan 8.150 nan 0.000 0.413 129 I N 0.788 121.440 120.570 0.136 0.000 2.441 129 I HA 0.422 4.592 4.170 -0.000 0.000 0.295 129 I C 0.013 176.211 176.117 0.136 0.000 0.994 129 I CA -0.244 61.118 61.300 0.104 0.000 1.144 129 I CB 1.999 40.053 38.000 0.090 0.000 1.314 129 I HN 0.789 nan 8.210 nan 0.000 0.445 130 E N 6.993 127.243 120.200 0.082 0.000 2.102 130 E HA 0.327 4.677 4.350 -0.000 0.000 0.263 130 E C -1.186 175.464 176.600 0.084 0.000 0.894 130 E CA -0.614 55.835 56.400 0.082 0.000 0.746 130 E CB 1.160 30.868 29.700 0.013 0.000 1.129 130 E HN 0.540 nan 8.360 nan 0.000 0.416 131 L N 4.803 126.082 121.223 0.093 0.000 2.385 131 L HA 0.124 4.464 4.340 -0.000 0.000 0.281 131 L C 0.175 177.107 176.870 0.103 0.000 1.106 131 L CA -0.190 54.710 54.840 0.100 0.000 0.856 131 L CB 0.294 42.375 42.059 0.036 0.000 1.186 131 L HN 0.499 nan 8.230 nan 0.000 0.453 132 N N 5.628 124.426 118.700 0.162 0.000 2.663 132 N HA 0.100 4.840 4.740 -0.000 0.000 0.250 132 N C 0.462 176.105 175.510 0.221 0.000 1.129 132 N CA -0.260 52.879 53.050 0.149 0.000 0.995 132 N CB 0.306 38.860 38.487 0.113 0.000 1.324 132 N HN 0.582 nan 8.380 nan 0.000 0.512 133 I N 0.135 120.778 120.570 0.121 0.000 3.884 133 I HA 0.275 4.444 4.170 -0.000 0.000 0.330 133 I C 0.210 176.411 176.117 0.140 0.000 1.451 133 I CA -0.221 61.145 61.300 0.109 0.000 1.165 133 I CB -0.071 37.920 38.000 -0.015 0.000 1.097 133 I HN 0.255 nan 8.210 nan 0.000 0.404 134 S N -0.714 115.059 115.700 0.122 0.000 2.952 134 S HA 0.204 4.674 4.470 -0.000 0.000 0.251 134 S C 0.307 174.954 174.600 0.079 0.000 1.021 134 S CA -0.500 57.754 58.200 0.090 0.000 1.067 134 S CB -0.838 62.397 63.200 0.057 0.000 1.002 134 S HN 0.505 nan 8.310 nan 0.000 0.574 135 C N 5.250 124.608 119.300 0.097 0.000 2.648 135 C HA 0.325 4.785 4.460 -0.000 0.000 0.406 135 C C -0.239 174.787 174.990 0.060 0.000 1.406 135 C CA -1.232 57.829 59.018 0.071 0.000 1.610 135 C CB 0.426 28.211 27.740 0.075 0.000 2.451 135 C HN 0.487 nan 8.230 nan 0.000 0.608 136 P HA -0.130 nan 4.420 nan 0.000 0.199 136 P C 0.322 177.637 177.300 0.026 0.000 1.118 136 P CA 0.950 64.069 63.100 0.030 0.000 0.913 136 P CB -0.335 31.378 31.700 0.022 0.000 0.738 143 Q N -0.506 119.404 119.800 0.183 0.000 7.504 143 Q HA -0.248 4.092 4.340 -0.000 0.000 0.351 143 Q C 1.971 178.003 176.000 0.053 0.000 1.218 143 Q CA 1.576 57.437 55.803 0.098 0.000 0.535 143 Q CB -1.554 27.222 28.738 0.063 0.000 0.214 143 Q HN 1.551 nan 8.270 nan 0.000 0.881 144 A N -0.371 122.452 122.820 0.005 0.000 2.248 144 A HA 0.104 4.423 4.320 -0.000 0.000 0.210 144 A C 1.228 178.647 177.584 -0.274 0.000 1.174 144 A CA 1.084 53.033 52.037 -0.148 0.000 0.750 144 A CB -0.440 18.423 19.000 -0.228 0.000 0.780 144 A HN 0.377 nan 8.150 nan 0.000 0.478 145 F N -2.040 117.906 119.950 -0.006 0.000 2.712 145 F HA 0.227 4.754 4.527 -0.000 0.000 0.297 145 F C 2.175 177.948 175.800 -0.045 0.000 1.114 145 F CA 0.480 58.452 58.000 -0.046 0.000 1.305 145 F CB 0.442 39.379 39.000 -0.107 0.000 1.086 145 F HN 0.271 nan 8.300 nan 0.000 0.599 146 G N -0.610 108.281 108.800 0.152 0.000 3.284 146 G HA2 0.038 3.998 3.960 -0.000 0.000 0.236 146 G HA3 0.038 3.998 3.960 -0.000 0.000 0.236 146 G C 1.151 176.078 174.900 0.044 0.000 1.158 146 G CA 0.868 46.018 45.100 0.083 0.000 0.774 146 G HN 0.317 nan 8.290 nan 0.000 0.545 147 T N -4.037 110.535 114.554 0.029 0.000 2.985 147 T HA 0.195 4.544 4.350 -0.000 0.000 0.254 147 T C 0.182 174.884 174.700 0.004 0.000 1.021 147 T CA -0.179 61.927 62.100 0.011 0.000 0.957 147 T CB 0.778 69.646 68.868 0.000 0.000 1.047 147 T HN 0.071 nan 8.240 nan 0.000 0.511 148 D N 1.683 122.086 120.400 0.006 0.000 2.391 148 D HA 0.321 4.961 4.640 -0.000 0.000 0.245 148 D C -2.158 174.149 176.300 0.012 0.000 1.069 148 D CA -2.163 51.838 54.000 0.002 0.000 0.831 148 D CB 2.865 43.660 40.800 -0.009 0.000 1.204 148 D HN -0.149 nan 8.370 nan 0.000 0.503 149 P HA -0.111 nan 4.420 nan 0.000 0.215 149 P C 0.756 178.060 177.300 0.006 0.000 1.157 149 P CA 1.127 64.229 63.100 0.004 0.000 0.868 149 P CB 0.559 32.258 31.700 -0.002 0.000 0.788 150 E N -0.747 119.456 120.200 0.006 0.000 2.110 150 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 150 E C 2.016 178.628 176.600 0.020 0.000 0.988 150 E CA 0.800 57.204 56.400 0.008 0.000 0.804 150 E CB -1.248 28.454 29.700 0.004 0.000 0.745 150 E HN 0.019 nan 8.360 nan 0.000 0.458 151 V N 0.688 120.621 119.914 0.031 0.000 2.379 151 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 151 V C 2.180 178.337 176.094 0.105 0.000 1.044 151 V CA 1.688 64.030 62.300 0.070 0.000 1.036 151 V CB -0.793 31.062 31.823 0.052 0.000 0.664 151 V HN 0.337 nan 8.190 nan 0.000 0.453 152 A N 0.164 123.029 122.820 0.075 0.000 1.877 152 A HA -0.138 4.181 4.320 -0.000 0.000 0.216 152 A C 2.435 180.012 177.584 -0.012 0.000 1.186 152 A CA 2.164 54.226 52.037 0.041 0.000 0.620 152 A CB -0.852 18.163 19.000 0.024 0.000 0.822 152 A HN 0.562 nan 8.150 nan 0.000 0.443 153 A N -0.134 122.682 122.820 -0.005 0.000 1.902 153 A HA 0.126 4.446 4.320 -0.000 0.000 0.217 153 A C 2.519 180.089 177.584 -0.023 0.000 1.181 153 A CA 2.229 54.255 52.037 -0.019 0.000 0.623 153 A CB -1.069 17.924 19.000 -0.012 0.000 0.818 153 A HN 1.095 nan 8.150 nan 0.000 0.443 154 A N -0.432 122.385 122.820 -0.006 0.000 1.883 154 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 154 A C 2.171 179.735 177.584 -0.033 0.000 1.186 154 A CA 1.843 53.878 52.037 -0.004 0.000 0.624 154 A CB -0.700 18.315 19.000 0.025 0.000 0.822 154 A HN 0.745 nan 8.150 nan 0.000 0.444 155 L N -0.056 121.128 121.223 -0.065 0.000 1.994 155 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 155 L C 2.401 179.175 176.870 -0.161 0.000 1.071 155 L CA 2.072 56.805 54.840 -0.179 0.000 0.745 155 L CB -0.615 41.209 42.059 -0.391 0.000 0.892 155 L HN 0.150 nan 8.230 nan 0.000 0.431 156 V N 0.085 119.920 119.914 -0.133 0.000 2.332 156 V HA -0.355 3.765 4.120 -0.000 0.000 0.248 156 V C 2.692 178.745 176.094 -0.068 0.000 1.055 156 V CA 2.252 64.492 62.300 -0.100 0.000 1.038 156 V CB -0.788 30.988 31.823 -0.078 0.000 0.651 156 V HN 0.552 nan 8.190 nan 0.000 0.450 157 K N 0.034 120.402 120.400 -0.054 0.000 2.026 157 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 157 K C 2.223 178.803 176.600 -0.033 0.000 1.048 157 K CA 1.570 57.834 56.287 -0.038 0.000 0.929 157 K CB -0.332 32.151 32.500 -0.028 0.000 0.713 157 K HN 0.430 nan 8.250 nan 0.000 0.439 158 A N 0.740 123.537 122.820 -0.037 0.000 1.877 158 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 158 A C 2.428 179.997 177.584 -0.024 0.000 1.186 158 A CA 1.715 53.736 52.037 -0.027 0.000 0.620 158 A CB -0.990 17.994 19.000 -0.027 0.000 0.822 158 A HN 0.574 nan 8.150 nan 0.000 0.443 159 C N -0.897 118.380 119.300 -0.038 0.000 2.435 159 C HA -0.004 4.456 4.460 -0.000 0.000 0.279 159 C C 2.655 177.636 174.990 -0.014 0.000 1.321 159 C CA 1.378 60.383 59.018 -0.020 0.000 1.752 159 C CB -0.821 26.902 27.740 -0.027 0.000 1.959 159 C HN 0.684 nan 8.230 nan 0.000 0.500 160 K N 2.143 122.528 120.400 -0.025 0.000 2.097 160 K HA 0.000 4.320 4.320 -0.000 0.000 0.205 160 K C 1.957 178.548 176.600 -0.015 0.000 1.050 160 K CA 1.752 58.026 56.287 -0.023 0.000 0.938 160 K CB -0.533 31.947 32.500 -0.033 0.000 0.718 160 K HN 0.356 nan 8.250 nan 0.000 0.442 161 A N 0.103 122.915 122.820 -0.014 0.000 2.067 161 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 161 A C 1.942 179.524 177.584 -0.003 0.000 1.158 161 A CA 1.666 53.697 52.037 -0.009 0.000 0.661 161 A CB -0.523 18.472 19.000 -0.008 0.000 0.801 161 A HN 0.275 nan 8.150 nan 0.000 0.452 162 V N -4.053 115.861 119.914 -0.001 0.000 3.643 162 V HA 0.244 4.364 4.120 -0.000 0.000 0.280 162 V C 0.557 176.655 176.094 0.007 0.000 1.351 162 V CA 0.233 62.536 62.300 0.004 0.000 1.073 162 V CB -0.266 31.561 31.823 0.006 0.000 0.863 162 V HN 0.201 nan 8.190 nan 0.000 0.436 163 S N 2.008 117.712 115.700 0.007 0.000 2.545 163 S HA 0.426 4.895 4.470 -0.000 0.000 0.275 163 S C 0.698 175.305 174.600 0.012 0.000 1.299 163 S CA -0.546 57.662 58.200 0.013 0.000 1.048 163 S CB 1.379 64.589 63.200 0.016 0.000 0.938 163 S HN 0.368 nan 8.310 nan 0.000 0.496 164 K N 1.070 121.481 120.400 0.017 0.000 2.379 164 K HA 0.148 4.468 4.320 -0.000 0.000 0.194 164 K C 0.632 177.245 176.600 0.022 0.000 1.031 164 K CA 0.320 56.617 56.287 0.016 0.000 1.037 164 K CB -0.163 32.346 32.500 0.016 0.000 0.824 164 K HN 0.608 nan 8.250 nan 0.000 0.516 165 V N -1.501 118.431 119.914 0.030 0.000 3.046 165 V HA 0.576 4.696 4.120 -0.000 0.000 0.316 165 V C -2.837 173.287 176.094 0.050 0.000 1.104 165 V CA -3.058 59.269 62.300 0.044 0.000 1.006 165 V CB 1.651 33.507 31.823 0.055 0.000 1.058 165 V HN -0.231 nan 8.190 nan 0.000 0.440 166 P HA 0.267 nan 4.420 nan 0.000 0.267 166 P C -0.972 176.379 177.300 0.084 0.000 1.200 166 P CA 0.089 63.218 63.100 0.048 0.000 0.772 166 P CB 0.336 32.088 31.700 0.086 0.000 0.855 167 L N 4.916 126.126 121.223 -0.021 0.000 2.280 167 L HA 0.406 4.746 4.340 -0.000 0.000 0.287 167 L C -1.279 175.544 176.870 -0.078 0.000 1.023 167 L CA -0.378 54.469 54.840 0.012 0.000 0.819 167 L CB -0.009 42.039 42.059 -0.019 0.000 1.212 167 L HN 0.241 nan 8.230 nan 0.000 0.420 168 Y N 3.628 123.920 120.300 -0.012 0.000 2.360 168 Y HA 0.608 5.158 4.550 -0.000 0.000 0.337 168 Y C -0.138 175.752 175.900 -0.017 0.000 1.039 168 Y CA -0.664 57.425 58.100 -0.017 0.000 1.109 168 Y CB 1.956 40.406 38.460 -0.018 0.000 1.201 168 Y HN 0.239 nan 8.280 nan 0.000 0.458 169 V N 3.808 123.781 119.914 0.100 0.000 2.417 169 V HA 0.300 4.420 4.120 -0.000 0.000 0.291 169 V C -0.321 175.806 176.094 0.054 0.000 1.024 169 V CA -1.459 60.872 62.300 0.050 0.000 0.861 169 V CB 1.474 33.295 31.823 -0.002 0.000 0.985 169 V HN 0.588 nan 8.190 nan 0.000 0.436 170 K N 5.268 125.697 120.400 0.048 0.000 2.284 170 K HA 0.491 4.810 4.320 -0.000 0.000 0.287 170 K C -0.596 176.021 176.600 0.029 0.000 1.081 170 K CA -0.363 55.946 56.287 0.037 0.000 0.910 170 K CB 0.387 32.908 32.500 0.035 0.000 1.088 170 K HN 0.593 nan 8.250 nan 0.000 0.478 171 L N 2.065 123.300 121.223 0.020 0.000 2.439 171 L HA 0.216 4.556 4.340 -0.000 0.000 0.261 171 L C 0.546 177.427 176.870 0.018 0.000 1.153 171 L CA -0.444 54.406 54.840 0.017 0.000 0.808 171 L CB 1.499 43.563 42.059 0.009 0.000 1.126 171 L HN 0.563 nan 8.230 nan 0.000 0.460 172 S N 1.406 117.119 115.700 0.022 0.000 2.525 172 S HA 0.452 4.922 4.470 -0.000 0.000 0.290 172 S C -1.704 172.905 174.600 0.014 0.000 1.152 172 S CA -1.440 56.773 58.200 0.021 0.000 1.072 172 S CB 1.384 64.602 63.200 0.030 0.000 1.027 172 S HN 0.455 nan 8.310 nan 0.000 0.500 173 P HA 0.120 nan 4.420 nan 0.000 0.251 173 P C -0.312 176.994 177.300 0.009 0.000 1.223 173 P CA 0.109 63.214 63.100 0.008 0.000 0.796 173 P CB -0.003 31.701 31.700 0.005 0.000 1.068 174 N N 1.335 120.042 118.700 0.012 0.000 3.111 174 N HA 0.130 4.870 4.740 -0.000 0.000 0.302 174 N C 0.247 175.763 175.510 0.010 0.000 1.317 174 N CA 0.229 53.286 53.050 0.012 0.000 1.151 174 N CB 0.224 38.719 38.487 0.014 0.000 1.456 174 N HN 0.173 nan 8.380 nan 0.000 0.547 175 V N -3.962 115.957 119.914 0.009 0.000 3.130 175 V HA 0.452 4.571 4.120 -0.000 0.000 0.310 175 V C 1.164 177.261 176.094 0.005 0.000 1.158 175 V CA -0.829 61.475 62.300 0.007 0.000 1.029 175 V CB 1.527 33.354 31.823 0.007 0.000 1.057 175 V HN -0.042 nan 8.190 nan 0.000 0.436 176 T N 0.505 115.061 114.554 0.003 0.000 2.812 176 T HA 0.016 4.366 4.350 -0.000 0.000 0.264 176 T C 0.255 174.956 174.700 0.002 0.000 1.042 176 T CA 2.159 64.261 62.100 0.003 0.000 1.140 176 T CB -0.226 68.642 68.868 0.002 0.000 0.870 176 T HN 0.908 nan 8.240 nan 0.000 0.445 177 D N -0.601 119.800 120.400 0.001 0.000 2.602 177 D HA 0.298 4.938 4.640 -0.000 0.000 0.245 177 D C 0.164 176.464 176.300 -0.001 0.000 1.325 177 D CA -0.446 53.553 54.000 -0.000 0.000 0.952 177 D CB 0.947 41.746 40.800 -0.002 0.000 1.317 177 D HN 0.057 nan 8.370 nan 0.000 0.577 178 I N 3.341 123.910 120.570 -0.002 0.000 3.059 178 I HA -0.100 4.070 4.170 -0.000 0.000 0.270 178 I C 1.494 177.606 176.117 -0.008 0.000 1.238 178 I CA 0.411 61.709 61.300 -0.003 0.000 1.478 178 I CB 0.470 38.468 38.000 -0.002 0.000 1.097 178 I HN 0.281 nan 8.210 nan 0.000 0.455 179 V N 2.459 122.366 119.914 -0.011 0.000 2.255 179 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 179 V C -0.258 175.827 176.094 -0.015 0.000 1.051 179 V CA 2.235 64.525 62.300 -0.017 0.000 1.018 179 V CB -2.084 29.728 31.823 -0.019 0.000 0.641 179 V HN 0.368 nan 8.190 nan 0.000 0.445 180 P HA -0.111 nan 4.420 nan 0.000 0.217 180 P C 1.794 179.088 177.300 -0.010 0.000 1.150 180 P CA 1.484 64.577 63.100 -0.011 0.000 0.832 180 P CB -0.048 31.648 31.700 -0.008 0.000 0.787 181 I N -0.824 119.741 120.570 -0.007 0.000 2.252 181 I HA -0.234 3.935 4.170 -0.000 0.000 0.245 181 I C 2.321 178.431 176.117 -0.010 0.000 1.102 181 I CA 1.440 62.736 61.300 -0.005 0.000 1.385 181 I CB -0.863 37.137 38.000 0.000 0.000 1.064 181 I HN -0.083 nan 8.210 nan 0.000 0.414 182 A N 1.120 123.932 122.820 -0.013 0.000 1.877 182 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 182 A C 2.338 179.908 177.584 -0.023 0.000 1.186 182 A CA 1.601 53.627 52.037 -0.019 0.000 0.620 182 A CB -0.465 18.522 19.000 -0.021 0.000 0.822 182 A HN 0.305 nan 8.150 nan 0.000 0.443 183 K N -0.257 120.129 120.400 -0.022 0.000 2.063 183 K HA -0.105 4.214 4.320 -0.000 0.000 0.208 183 K C 2.334 178.920 176.600 -0.023 0.000 1.048 183 K CA 1.207 57.480 56.287 -0.024 0.000 0.928 183 K CB -0.380 32.108 32.500 -0.021 0.000 0.713 183 K HN 0.441 nan 8.250 nan 0.000 0.442 184 A N 1.173 123.982 122.820 -0.019 0.000 1.902 184 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 184 A C 2.416 179.986 177.584 -0.023 0.000 1.181 184 A CA 1.441 53.467 52.037 -0.018 0.000 0.623 184 A CB -0.705 18.287 19.000 -0.012 0.000 0.818 184 A HN 0.085 nan 8.150 nan 0.000 0.443 185 V N -0.000 119.898 119.914 -0.025 0.000 2.407 185 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 185 V C 2.529 178.598 176.094 -0.041 0.000 1.055 185 V CA 2.317 64.597 62.300 -0.033 0.000 1.049 185 V CB -0.534 31.270 31.823 -0.031 0.000 0.662 185 V HN 0.787 nan 8.190 nan 0.000 0.455 186 E N 0.251 120.427 120.200 -0.040 0.000 2.047 186 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 186 E C 2.217 178.792 176.600 -0.043 0.000 0.987 186 E CA 1.291 57.663 56.400 -0.047 0.000 0.799 186 E CB -0.233 29.441 29.700 -0.043 0.000 0.752 186 E HN 0.549 nan 8.360 nan 0.000 0.449 187 A N 0.899 123.699 122.820 -0.034 0.000 2.070 187 A HA -0.046 4.273 4.320 -0.000 0.000 0.220 187 A C 2.219 179.784 177.584 -0.030 0.000 1.159 187 A CA 1.500 53.519 52.037 -0.030 0.000 0.656 187 A CB -0.488 18.498 19.000 -0.024 0.000 0.800 187 A HN 0.384 nan 8.150 nan 0.000 0.453 188 A N -2.087 120.713 122.820 -0.033 0.000 2.206 188 A HA 0.406 4.726 4.320 -0.000 0.000 0.211 188 A C 1.708 179.268 177.584 -0.040 0.000 1.158 188 A CA 1.360 53.377 52.037 -0.034 0.000 0.761 188 A CB -0.579 18.400 19.000 -0.035 0.000 0.801 188 A HN 1.742 nan 8.150 nan 0.000 0.473 189 G N -2.490 106.282 108.800 -0.047 0.000 2.205 189 G HA2 0.200 4.160 3.960 -0.000 0.000 0.180 189 G HA3 0.200 4.160 3.960 -0.000 0.000 0.180 189 G C 0.382 175.238 174.900 -0.074 0.000 1.004 189 G CA -0.024 45.044 45.100 -0.054 0.000 0.670 189 G HN 1.443 nan 8.290 nan 0.000 0.496 190 A N 0.647 123.417 122.820 -0.083 0.000 2.546 190 A HA 0.476 4.796 4.320 -0.000 0.000 0.243 190 A C 1.161 178.644 177.584 -0.168 0.000 1.063 190 A CA 0.985 52.952 52.037 -0.117 0.000 0.757 190 A CB 0.216 19.156 19.000 -0.100 0.000 0.991 190 A HN 0.266 nan 8.150 nan 0.000 0.503 191 D N 1.470 121.713 120.400 -0.263 0.000 2.289 191 D HA 0.173 4.812 4.640 -0.000 0.000 0.207 191 D C 0.911 176.927 176.300 -0.474 0.000 0.966 191 D CA 1.635 55.429 54.000 -0.343 0.000 0.868 191 D CB 0.412 40.977 40.800 -0.392 0.000 0.943 191 D HN 0.756 nan 8.370 nan 0.000 0.514 192 G N -0.276 108.184 108.800 -0.565 0.000 2.495 192 G HA2 0.537 4.496 3.960 -0.000 0.000 0.294 192 G HA3 0.537 4.496 3.960 -0.000 0.000 0.294 192 G C -1.883 172.941 174.900 -0.128 0.000 1.397 192 G CA -0.728 44.132 45.100 -0.401 0.000 0.790 192 G HN 0.015 nan 8.290 nan 0.000 0.486 193 L N 0.127 121.392 121.223 0.069 0.000 2.350 193 L HA 0.836 5.176 4.340 -0.000 0.000 0.260 193 L C 0.061 177.014 176.870 0.138 0.000 1.015 193 L CA -0.944 53.950 54.840 0.091 0.000 0.821 193 L CB 2.897 44.970 42.059 0.024 0.000 1.370 193 L HN 0.878 nan 8.230 nan 0.000 0.416 194 T N 0.005 114.612 114.554 0.088 0.000 2.893 194 T HA 0.873 5.223 4.350 -0.000 0.000 0.293 194 T C -0.709 173.997 174.700 0.009 0.000 1.027 194 T CA -0.734 61.386 62.100 0.034 0.000 0.988 194 T CB 1.921 70.794 68.868 0.008 0.000 1.043 194 T HN 0.697 nan 8.240 nan 0.000 0.461 195 M N 2.008 121.600 119.600 -0.014 0.000 2.605 195 M HA 0.626 5.106 4.480 -0.000 0.000 0.281 195 M C -1.818 174.464 176.300 -0.030 0.000 1.166 195 M CA -1.175 54.115 55.300 -0.015 0.000 0.875 195 M CB 1.622 34.217 32.600 -0.008 0.000 1.732 195 M HN 0.803 nan 8.290 nan 0.000 0.504 196 I N -1.126 119.428 120.570 -0.027 0.000 2.863 196 I HA 0.662 4.832 4.170 -0.000 0.000 0.311 196 I C -0.457 175.651 176.117 -0.015 0.000 1.026 196 I CA -0.786 60.505 61.300 -0.015 0.000 1.077 196 I CB 1.628 39.623 38.000 -0.010 0.000 1.262 196 I HN 0.809 nan 8.210 nan 0.000 0.461 197 N N 1.063 119.761 118.700 -0.004 0.000 2.374 197 N HA 0.260 4.999 4.740 -0.000 0.000 0.284 197 N C -0.435 175.075 175.510 -0.001 0.000 1.280 197 N CA 0.070 53.119 53.050 -0.001 0.000 0.963 197 N CB 1.142 39.637 38.487 0.014 0.000 1.141 197 N HN 0.864 nan 8.380 nan 0.000 0.565 198 T N -0.731 113.825 114.554 0.004 0.000 2.868 198 T HA 0.426 4.776 4.350 -0.000 0.000 0.292 198 T C 0.655 175.360 174.700 0.008 0.000 1.028 198 T CA -0.554 61.549 62.100 0.004 0.000 1.059 198 T CB 0.558 69.431 68.868 0.008 0.000 0.991 198 T HN 0.208 nan 8.240 nan 0.000 0.531 199 L N 0.778 122.006 121.223 0.008 0.000 2.469 199 L HA 0.515 4.854 4.340 -0.000 0.000 0.253 199 L C 0.659 177.536 176.870 0.012 0.000 1.143 199 L CA -0.504 54.342 54.840 0.010 0.000 0.804 199 L CB 0.488 42.552 42.059 0.009 0.000 1.214 199 L HN 0.682 nan 8.230 nan 0.000 0.476 200 M N -0.053 119.555 119.600 0.013 0.000 2.300 200 M HA 0.632 5.112 4.480 -0.000 0.000 0.348 200 M C 0.038 176.347 176.300 0.015 0.000 1.151 200 M CA -0.247 55.061 55.300 0.013 0.000 1.046 200 M CB 1.643 34.252 32.600 0.014 0.000 1.647 200 M HN 0.659 nan 8.290 nan 0.000 0.451 201 G N 1.242 110.048 108.800 0.012 0.000 2.708 201 G HA2 0.783 4.743 3.960 -0.000 0.000 0.289 201 G HA3 0.783 4.743 3.960 -0.000 0.000 0.289 201 G C -1.940 172.961 174.900 0.002 0.000 1.416 201 G CA -0.530 44.579 45.100 0.016 0.000 0.829 201 G HN 0.556 nan 8.290 nan 0.000 0.480 202 V N 0.070 119.991 119.914 0.011 0.000 3.087 202 V HA 0.779 4.898 4.120 -0.000 0.000 0.306 202 V C -1.055 175.031 176.094 -0.014 0.000 1.187 202 V CA -1.079 61.197 62.300 -0.040 0.000 0.999 202 V CB 2.342 34.144 31.823 -0.035 0.000 1.049 202 V HN 0.738 nan 8.190 nan 0.000 0.431 203 R N 1.555 121.989 120.500 -0.111 0.000 2.621 203 R HA 0.628 4.967 4.340 -0.000 0.000 0.284 203 R C -1.814 174.399 176.300 -0.145 0.000 0.998 203 R CA -0.494 55.594 56.100 -0.020 0.000 0.895 203 R CB 2.031 32.325 30.300 -0.010 0.000 1.195 203 R HN 0.567 nan 8.270 nan 0.000 0.450 204 F N 0.332 120.286 119.950 0.006 0.000 2.469 204 F HA 0.226 4.752 4.527 -0.001 0.000 0.332 204 F C 0.654 176.457 175.800 0.005 0.000 1.103 204 F CA -0.811 57.193 58.000 0.005 0.000 0.979 204 F CB 1.572 40.575 39.000 0.005 0.000 1.137 204 F HN 0.344 nan 8.300 nan 0.000 0.463 205 D N 3.006 123.506 120.400 0.167 0.000 2.316 205 D HA 0.236 4.876 4.640 -0.000 0.000 0.245 205 D C 0.990 177.360 176.300 0.116 0.000 1.171 205 D CA 0.033 54.095 54.000 0.102 0.000 0.856 205 D CB 0.889 41.722 40.800 0.054 0.000 1.090 205 D HN 0.494 nan 8.370 nan 0.000 0.476 206 L N 3.282 124.557 121.223 0.086 0.000 2.079 206 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 206 L C 2.365 179.263 176.870 0.047 0.000 1.081 206 L CA 0.777 55.654 54.840 0.061 0.000 0.752 206 L CB -0.433 41.651 42.059 0.041 0.000 0.896 206 L HN 0.442 nan 8.230 nan 0.000 0.433 207 K N 0.273 120.698 120.400 0.042 0.000 2.025 207 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 207 K C 2.195 178.816 176.600 0.036 0.000 1.049 207 K CA 2.074 58.380 56.287 0.032 0.000 0.933 207 K CB -0.378 32.137 32.500 0.025 0.000 0.714 207 K HN 0.436 nan 8.250 nan 0.000 0.438 208 T N -1.817 112.764 114.554 0.046 0.000 3.043 208 T HA 0.070 4.420 4.350 -0.000 0.000 0.263 208 T C 0.670 175.411 174.700 0.070 0.000 1.094 208 T CA 0.194 62.323 62.100 0.048 0.000 1.127 208 T CB -0.024 68.870 68.868 0.043 0.000 0.905 208 T HN 0.309 nan 8.240 nan 0.000 0.490 209 R N 0.340 120.899 120.500 0.097 0.000 3.951 209 R HA -0.116 4.224 4.340 -0.000 0.000 0.352 209 R C -0.594 175.849 176.300 0.239 0.000 1.178 209 R CA 0.756 56.936 56.100 0.132 0.000 0.949 209 R CB -1.650 28.691 30.300 0.069 0.000 1.452 209 R HN 0.503 nan 8.270 nan 0.000 0.540 210 Q N -0.067 119.855 119.800 0.204 0.000 2.351 210 Q HA 0.462 4.802 4.340 -0.000 0.000 0.273 210 Q C -2.459 173.542 176.000 0.001 0.000 1.077 210 Q CA -2.328 53.567 55.803 0.154 0.000 0.843 210 Q CB 1.565 30.337 28.738 0.057 0.000 1.367 210 Q HN -0.154 nan 8.270 nan 0.000 0.449 211 P HA 0.124 nan 4.420 nan 0.000 0.268 211 P C 0.626 177.777 177.300 -0.248 0.000 1.205 211 P CA 0.168 62.918 63.100 -0.583 0.000 0.771 211 P CB 0.609 31.975 31.700 -0.557 0.000 0.858 212 I N 1.490 121.936 120.570 -0.207 0.000 2.226 212 I HA -0.167 4.002 4.170 -0.000 0.000 0.245 212 I C 0.999 177.062 176.117 -0.090 0.000 1.100 212 I CA 1.152 62.391 61.300 -0.102 0.000 1.374 212 I CB -0.287 37.671 38.000 -0.070 0.000 1.057 212 I HN 0.251 nan 8.210 nan 0.000 0.413 213 L N 0.500 121.657 121.223 -0.111 0.000 2.397 213 L HA 0.176 4.515 4.340 -0.000 0.000 0.271 213 L C 1.492 178.317 176.870 -0.075 0.000 1.148 213 L CA -0.351 54.441 54.840 -0.080 0.000 0.825 213 L CB 0.864 42.877 42.059 -0.077 0.000 1.117 213 L HN 0.084 nan 8.230 nan 0.000 0.456 214 A N 2.223 125.016 122.820 -0.045 0.000 1.969 214 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 214 A C 1.824 179.390 177.584 -0.030 0.000 1.169 214 A CA 1.672 53.691 52.037 -0.030 0.000 0.635 214 A CB -0.571 18.424 19.000 -0.007 0.000 0.810 214 A HN 0.889 nan 8.150 nan 0.000 0.445 215 N N -0.959 117.722 118.700 -0.032 0.000 2.521 215 N HA 0.080 4.820 4.740 -0.000 0.000 0.188 215 N C 0.808 176.293 175.510 -0.043 0.000 1.146 215 N CA 0.821 53.855 53.050 -0.026 0.000 0.893 215 N CB -0.424 38.052 38.487 -0.018 0.000 0.975 215 N HN 0.531 nan 8.380 nan 0.000 0.451 216 I N -2.700 117.825 120.570 -0.076 0.000 4.781 216 I HA -0.454 3.715 4.170 -0.000 0.000 0.042 216 I C 0.250 176.298 176.117 -0.116 0.000 0.631 216 I CA 1.746 62.975 61.300 -0.117 0.000 0.598 216 I CB -1.765 36.189 38.000 -0.077 0.000 0.578 216 I HN 0.347 nan 8.210 nan 0.000 0.154 217 T N 0.373 114.889 114.554 -0.063 0.000 2.918 217 T HA 0.675 5.025 4.350 -0.000 0.000 0.283 217 T C -0.018 174.662 174.700 -0.033 0.000 1.001 217 T CA 0.127 62.201 62.100 -0.044 0.000 1.041 217 T CB 2.015 70.873 68.868 -0.016 0.000 1.028 217 T HN 0.855 nan 8.240 nan 0.000 0.511 218 G N -0.991 107.795 108.800 -0.023 0.000 2.687 218 G HA2 0.660 4.620 3.960 -0.000 0.000 0.291 218 G HA3 0.660 4.620 3.960 -0.000 0.000 0.291 218 G C -0.603 174.296 174.900 -0.001 0.000 1.420 218 G CA -0.684 44.408 45.100 -0.013 0.000 0.796 218 G HN 0.961 nan 8.290 nan 0.000 0.485 219 G N -0.479 108.324 108.800 0.005 0.000 2.348 219 G HA2 0.523 4.483 3.960 -0.000 0.000 0.312 219 G HA3 0.523 4.483 3.960 -0.000 0.000 0.312 219 G C -0.548 174.361 174.900 0.014 0.000 1.126 219 G CA -0.505 44.602 45.100 0.011 0.000 0.865 219 G HN 0.555 nan 8.290 nan 0.000 0.474 220 L N 2.700 123.930 121.223 0.013 0.000 2.275 220 L HA 0.616 4.956 4.340 -0.000 0.000 0.288 220 L C 0.312 177.187 176.870 0.010 0.000 1.046 220 L CA -0.345 54.503 54.840 0.014 0.000 0.805 220 L CB 1.341 43.407 42.059 0.013 0.000 1.193 220 L HN 0.710 nan 8.230 nan 0.000 0.426 221 S N 3.082 118.790 115.700 0.012 0.000 2.740 221 S HA 1.009 5.479 4.470 -0.000 0.000 0.300 221 S C -0.222 174.375 174.600 -0.006 0.000 1.147 221 S CA -0.086 58.112 58.200 -0.003 0.000 0.871 221 S CB 1.983 65.177 63.200 -0.010 0.000 1.173 221 S HN 1.267 nan 8.310 nan 0.000 0.510 222 G N 0.393 109.177 108.800 -0.027 0.000 2.541 222 G HA2 0.062 4.022 3.960 -0.000 0.000 0.686 222 G HA3 0.062 4.022 3.960 -0.000 0.000 0.686 222 G C -2.669 172.217 174.900 -0.023 0.000 1.286 222 G CA -0.313 44.771 45.100 -0.026 0.000 0.894 222 G HN 0.582 nan 8.290 nan 0.000 0.575 223 P HA -0.104 nan 4.420 nan 0.000 0.218 223 P C 2.197 179.491 177.300 -0.010 0.000 1.146 223 P CA 2.922 66.013 63.100 -0.016 0.000 0.820 223 P CB -0.016 31.679 31.700 -0.009 0.000 0.778 224 A N 0.102 122.919 122.820 -0.005 0.000 1.940 224 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 224 A C 1.978 179.559 177.584 -0.004 0.000 1.176 224 A CA 1.859 53.896 52.037 -0.001 0.000 0.631 224 A CB -1.572 17.431 19.000 0.005 0.000 0.814 224 A HN 0.414 nan 8.150 nan 0.000 0.446 225 I N -3.915 116.651 120.570 -0.008 0.000 3.793 225 I HA 0.176 4.346 4.170 -0.000 0.000 0.315 225 I C 1.671 177.780 176.117 -0.015 0.000 1.275 225 I CA 0.683 61.978 61.300 -0.009 0.000 1.214 225 I CB -0.052 37.943 38.000 -0.009 0.000 1.018 225 I HN 0.168 nan 8.210 nan 0.000 0.439 226 K N 2.496 122.885 120.400 -0.018 0.000 2.032 226 K HA -0.089 4.231 4.320 -0.000 0.000 0.209 226 K C -0.390 176.198 176.600 -0.020 0.000 1.048 226 K CA 2.056 58.330 56.287 -0.022 0.000 0.927 226 K CB -0.980 31.506 32.500 -0.024 0.000 0.712 226 K HN 0.328 nan 8.250 nan 0.000 0.441 227 P HA -0.139 nan 4.420 nan 0.000 0.216 227 P C 1.489 178.781 177.300 -0.012 0.000 1.150 227 P CA 1.166 64.256 63.100 -0.017 0.000 0.837 227 P CB -0.036 31.655 31.700 -0.015 0.000 0.786 228 V N 0.777 120.686 119.914 -0.008 0.000 2.358 228 V HA -0.191 3.928 4.120 -0.000 0.000 0.246 228 V C 2.863 178.955 176.094 -0.002 0.000 1.047 228 V CA 2.069 64.368 62.300 -0.003 0.000 1.035 228 V CB -1.738 30.084 31.823 -0.001 0.000 0.658 228 V HN 0.102 nan 8.190 nan 0.000 0.452 229 A N -0.056 122.759 122.820 -0.009 0.000 1.902 229 A HA -0.170 4.149 4.320 -0.000 0.000 0.217 229 A C 2.103 179.683 177.584 -0.007 0.000 1.181 229 A CA 1.785 53.814 52.037 -0.013 0.000 0.623 229 A CB -0.563 18.423 19.000 -0.024 0.000 0.818 229 A HN 0.407 nan 8.150 nan 0.000 0.443 230 L N 0.043 121.260 121.223 -0.009 0.000 2.083 230 L HA -0.129 4.210 4.340 -0.000 0.000 0.209 230 L C 2.439 179.328 176.870 0.030 0.000 1.083 230 L CA 1.951 56.789 54.840 -0.002 0.000 0.752 230 L CB -0.751 41.294 42.059 -0.023 0.000 0.899 230 L HN 0.396 nan 8.230 nan 0.000 0.433 231 K N 0.079 120.492 120.400 0.023 0.000 2.002 231 K HA -0.150 4.169 4.320 -0.000 0.000 0.209 231 K C 2.126 178.769 176.600 0.072 0.000 1.048 231 K CA 1.552 57.868 56.287 0.048 0.000 0.930 231 K CB -0.343 32.171 32.500 0.025 0.000 0.714 231 K HN 0.272 nan 8.250 nan 0.000 0.438 232 L N 0.658 121.903 121.223 0.037 0.000 2.046 232 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 232 L C 2.595 179.477 176.870 0.020 0.000 1.077 232 L CA 0.979 55.833 54.840 0.023 0.000 0.747 232 L CB -0.360 41.704 42.059 0.009 0.000 0.896 232 L HN 0.151 nan 8.230 nan 0.000 0.432 233 I N -0.765 119.819 120.570 0.023 0.000 2.179 233 I HA -0.346 3.824 4.170 -0.000 0.000 0.242 233 I C 2.653 178.786 176.117 0.027 0.000 1.088 233 I CA 1.476 62.783 61.300 0.011 0.000 1.357 233 I CB -0.393 37.605 38.000 -0.002 0.000 1.051 233 I HN 0.305 nan 8.210 nan 0.000 0.409 234 H N 0.695 119.749 119.070 -0.027 0.000 2.353 234 H HA -0.215 4.341 4.556 -0.000 0.000 0.300 234 H C 2.258 177.576 175.328 -0.017 0.000 1.090 234 H CA 2.013 58.048 56.048 -0.021 0.000 1.327 234 H CB -0.038 29.712 29.762 -0.019 0.000 1.383 234 H HN 0.289 nan 8.280 nan 0.000 0.508 235 Q N -0.250 119.511 119.800 -0.066 0.000 2.050 235 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 235 Q C 2.304 178.233 176.000 -0.117 0.000 0.980 235 Q CA 1.923 57.665 55.803 -0.103 0.000 0.840 235 Q CB 0.035 28.768 28.738 -0.008 0.000 0.898 235 Q HN 0.434 nan 8.270 nan 0.000 0.424 236 V N 0.624 120.494 119.914 -0.074 0.000 2.548 236 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 236 V C 2.218 178.266 176.094 -0.077 0.000 1.055 236 V CA 1.497 63.760 62.300 -0.062 0.000 1.065 236 V CB -0.696 31.105 31.823 -0.036 0.000 0.681 236 V HN 0.458 nan 8.190 nan 0.000 0.462 237 A N -0.923 121.840 122.820 -0.095 0.000 2.015 237 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 237 A C 2.096 179.616 177.584 -0.107 0.000 1.163 237 A CA 1.102 53.087 52.037 -0.087 0.000 0.646 237 A CB -0.335 18.622 19.000 -0.071 0.000 0.806 237 A HN 0.506 nan 8.150 nan 0.000 0.448 238 Q N -0.023 119.677 119.800 -0.166 0.000 2.437 238 Q HA -0.132 4.208 4.340 -0.000 0.000 0.210 238 Q C -0.277 175.670 176.000 -0.087 0.000 0.972 238 Q CA 1.569 57.283 55.803 -0.148 0.000 0.903 238 Q CB -0.168 28.447 28.738 -0.205 0.000 0.967 238 Q HN 1.018 nan 8.270 nan 0.000 0.486 239 D N -2.517 117.839 120.400 -0.073 0.000 2.914 239 D HA 0.200 4.840 4.640 -0.000 0.000 0.349 239 D C -0.637 175.637 176.300 -0.043 0.000 1.540 239 D CA -0.258 53.711 54.000 -0.051 0.000 0.778 239 D CB -0.088 40.684 40.800 -0.047 0.000 1.213 239 D HN -0.163 nan 8.370 nan 0.000 0.451 240 V N 0.098 119.986 119.914 -0.044 0.000 2.876 240 V HA 0.346 4.466 4.120 -0.000 0.000 0.312 240 V C -0.739 175.334 176.094 -0.035 0.000 1.085 240 V CA -0.639 61.638 62.300 -0.038 0.000 0.945 240 V CB 2.373 34.172 31.823 -0.039 0.000 1.017 240 V HN 0.130 nan 8.190 nan 0.000 0.428 241 D N 4.703 125.083 120.400 -0.034 0.000 2.402 241 D HA 0.232 4.871 4.640 -0.000 0.000 0.216 241 D C 0.255 176.536 176.300 -0.033 0.000 1.128 241 D CA 0.390 54.373 54.000 -0.030 0.000 0.833 241 D CB 0.592 41.376 40.800 -0.027 0.000 0.971 241 D HN 0.612 nan 8.370 nan 0.000 0.503 242 I N -1.499 119.047 120.570 -0.040 0.000 2.648 242 I HA 0.515 4.685 4.170 -0.000 0.000 0.304 242 I C -2.593 173.505 176.117 -0.031 0.000 1.009 242 I CA -2.438 58.832 61.300 -0.051 0.000 1.114 242 I CB 1.742 39.692 38.000 -0.084 0.000 1.293 242 I HN -0.370 nan 8.210 nan 0.000 0.449 243 P HA 0.300 nan 4.420 nan 0.000 0.269 243 P C -0.867 176.460 177.300 0.045 0.000 1.215 243 P CA 0.132 63.247 63.100 0.024 0.000 0.780 243 P CB 1.270 33.010 31.700 0.065 0.000 0.898 244 I N 2.282 122.867 120.570 0.025 0.000 2.465 244 I HA 0.376 4.546 4.170 -0.000 0.000 0.291 244 I C 0.293 176.398 176.117 -0.019 0.000 1.014 244 I CA -0.930 60.380 61.300 0.015 0.000 1.093 244 I CB 1.834 39.820 38.000 -0.022 0.000 1.267 244 I HN 0.132 nan 8.210 nan 0.000 0.431 245 I N 5.226 125.790 120.570 -0.010 0.000 2.307 245 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 245 I C 0.744 176.810 176.117 -0.086 0.000 1.021 245 I CA -0.237 61.017 61.300 -0.077 0.000 1.224 245 I CB 1.342 39.280 38.000 -0.104 0.000 1.376 245 I HN 0.634 nan 8.210 nan 0.000 0.470 246 G N 7.808 116.534 108.800 -0.123 0.000 2.425 246 G HA2 0.753 4.713 3.960 -0.000 0.000 0.302 246 G HA3 0.753 4.713 3.960 -0.000 0.000 0.302 246 G C -0.495 174.344 174.900 -0.100 0.000 1.159 246 G CA -0.528 44.509 45.100 -0.105 0.000 0.865 246 G HN 0.641 nan 8.290 nan 0.000 0.515 247 M N 0.101 119.653 119.600 -0.080 0.000 2.603 247 M HA 0.710 5.190 4.480 -0.000 0.000 0.275 247 M C -0.507 175.755 176.300 -0.063 0.000 1.226 247 M CA -0.611 54.641 55.300 -0.080 0.000 0.870 247 M CB 2.093 34.641 32.600 -0.087 0.000 1.716 247 M HN 1.850 nan 8.290 nan 0.000 0.482 248 G N 0.346 109.107 108.800 -0.065 0.000 2.648 248 G HA2 0.467 4.427 3.960 -0.000 0.000 0.317 248 G HA3 0.467 4.427 3.960 -0.000 0.000 0.317 248 G C 0.336 175.207 174.900 -0.049 0.000 1.216 248 G CA -0.004 45.065 45.100 -0.052 0.000 1.210 248 G HN 2.212 nan 8.290 nan 0.000 0.583 249 G N -0.720 108.048 108.800 -0.054 0.000 2.153 249 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.252 249 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.252 249 G C 0.605 175.476 174.900 -0.047 0.000 0.994 249 G CA 0.597 45.669 45.100 -0.046 0.000 0.698 249 G HN 1.797 nan 8.290 nan 0.000 0.521 250 V N 0.141 120.020 119.914 -0.059 0.000 2.508 250 V HA 0.558 4.678 4.120 -0.000 0.000 0.281 250 V C 1.157 177.219 176.094 -0.053 0.000 1.041 250 V CA 1.052 63.321 62.300 -0.052 0.000 1.016 250 V CB 1.276 33.064 31.823 -0.058 0.000 0.984 250 V HN 1.039 nan 8.190 nan 0.000 0.478 251 A N 4.425 127.225 122.820 -0.034 0.000 2.474 251 A HA 0.415 4.735 4.320 -0.000 0.000 0.221 251 A C 0.452 178.028 177.584 -0.012 0.000 1.298 251 A CA 0.272 52.293 52.037 -0.027 0.000 1.008 251 A CB 0.088 19.077 19.000 -0.018 0.000 1.217 251 A HN 0.910 nan 8.150 nan 0.000 0.553 252 N N -2.973 115.722 118.700 -0.007 0.000 3.039 252 N HA 0.550 5.290 4.740 -0.000 0.000 0.257 252 N C 0.569 176.085 175.510 0.010 0.000 1.497 252 N CA 0.005 53.057 53.050 0.004 0.000 0.861 252 N CB 0.570 39.065 38.487 0.012 0.000 1.479 252 N HN 0.048 nan 8.380 nan 0.000 0.547 253 A N -0.626 122.205 122.820 0.019 0.000 1.969 253 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 253 A C 1.801 179.408 177.584 0.039 0.000 1.169 253 A CA 1.543 53.598 52.037 0.029 0.000 0.635 253 A CB -0.944 18.075 19.000 0.032 0.000 0.810 253 A HN 0.679 nan 8.150 nan 0.000 0.445 254 Q N 0.281 120.103 119.800 0.037 0.000 2.096 254 Q HA -0.164 4.175 4.340 -0.000 0.000 0.204 254 Q C 1.530 177.533 176.000 0.006 0.000 0.982 254 Q CA 1.883 57.702 55.803 0.026 0.000 0.850 254 Q CB -0.242 28.512 28.738 0.026 0.000 0.901 254 Q HN 0.625 nan 8.270 nan 0.000 0.422 255 D N -0.662 119.742 120.400 0.006 0.000 2.117 255 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 255 D C 1.879 178.187 176.300 0.014 0.000 0.987 255 D CA 0.950 54.948 54.000 -0.003 0.000 0.829 255 D CB -0.251 40.541 40.800 -0.012 0.000 0.961 255 D HN 0.068 nan 8.370 nan 0.000 0.460 256 V N 1.190 121.126 119.914 0.036 0.000 2.282 256 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 256 V C 2.643 178.851 176.094 0.189 0.000 1.057 256 V CA 1.264 63.618 62.300 0.089 0.000 1.032 256 V CB -0.475 31.407 31.823 0.099 0.000 0.645 256 V HN 0.233 nan 8.190 nan 0.000 0.447 257 L N -0.527 120.774 121.223 0.130 0.000 2.141 257 L HA -0.177 4.162 4.340 -0.000 0.000 0.209 257 L C 2.569 179.494 176.870 0.091 0.000 1.094 257 L CA 1.611 56.525 54.840 0.124 0.000 0.763 257 L CB -0.506 41.557 42.059 0.007 0.000 0.908 257 L HN 0.434 nan 8.230 nan 0.000 0.437 258 E N -0.102 120.112 120.200 0.024 0.000 2.106 258 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 258 E C 2.361 178.963 176.600 0.004 0.000 0.984 258 E CA 0.894 57.288 56.400 -0.011 0.000 0.806 258 E CB 0.154 29.833 29.700 -0.034 0.000 0.750 258 E HN 0.340 nan 8.360 nan 0.000 0.458 259 M N -0.404 119.195 119.600 -0.000 0.000 2.159 259 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 259 M C 1.832 178.069 176.300 -0.105 0.000 1.063 259 M CA 1.376 56.635 55.300 -0.070 0.000 1.110 259 M CB -0.770 31.753 32.600 -0.128 0.000 1.374 259 M HN 0.225 nan 8.290 nan 0.000 0.411 260 Y N 0.233 120.521 120.300 -0.021 0.000 2.200 260 Y HA -0.177 4.373 4.550 -0.000 0.000 0.290 260 Y C 2.490 178.386 175.900 -0.007 0.000 1.137 260 Y CA 1.288 59.381 58.100 -0.012 0.000 1.163 260 Y CB -0.338 38.112 38.460 -0.016 0.000 0.988 260 Y HN 0.142 nan 8.280 nan 0.000 0.518 261 M N -0.943 118.730 119.600 0.121 0.000 2.229 261 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 261 M C 2.336 178.668 176.300 0.052 0.000 1.063 261 M CA 1.434 56.770 55.300 0.059 0.000 1.114 261 M CB -1.571 31.030 32.600 0.002 0.000 1.387 261 M HN 0.296 nan 8.290 nan 0.000 0.420 262 A N -0.624 122.218 122.820 0.036 0.000 2.014 262 A HA 0.300 4.620 4.320 -0.000 0.000 0.218 262 A C 1.865 179.508 177.584 0.099 0.000 1.163 262 A CA 1.651 53.729 52.037 0.069 0.000 0.652 262 A CB -0.473 18.542 19.000 0.026 0.000 0.808 262 A HN 0.615 nan 8.150 nan 0.000 0.449 263 G N -3.021 105.797 108.800 0.030 0.000 2.234 263 G HA2 0.302 4.262 3.960 -0.000 0.000 0.153 263 G HA3 0.302 4.262 3.960 -0.000 0.000 0.153 263 G C 0.246 175.109 174.900 -0.062 0.000 1.013 263 G CA 0.072 45.176 45.100 0.007 0.000 0.712 263 G HN 1.272 nan 8.290 nan 0.000 0.491 264 A N 0.204 122.929 122.820 -0.158 0.000 2.322 264 A HA 0.820 5.140 4.320 -0.000 0.000 0.269 264 A C 1.322 178.663 177.584 -0.405 0.000 1.094 264 A CA 0.941 52.820 52.037 -0.263 0.000 0.807 264 A CB 0.971 19.775 19.000 -0.326 0.000 1.047 264 A HN 0.692 nan 8.150 nan 0.000 0.487 265 S N -0.346 115.188 115.700 -0.276 0.000 2.497 265 S HA 0.476 4.945 4.470 -0.000 0.000 0.221 265 S C 0.706 175.215 174.600 -0.152 0.000 1.037 265 S CA 0.653 58.770 58.200 -0.139 0.000 0.920 265 S CB 0.152 63.354 63.200 0.003 0.000 0.800 265 S HN 1.242 nan 8.310 nan 0.000 0.505 266 A N 0.627 123.312 122.820 -0.224 0.000 2.569 266 A HA 0.799 5.119 4.320 -0.000 0.000 0.290 266 A C -1.527 175.939 177.584 -0.196 0.000 1.136 266 A CA -0.555 51.408 52.037 -0.122 0.000 0.710 266 A CB 1.323 20.285 19.000 -0.063 0.000 1.303 266 A HN 0.071 nan 8.150 nan 0.000 0.413 267 V N 0.013 119.856 119.914 -0.118 0.000 2.760 267 V HA 0.740 4.860 4.120 -0.000 0.000 0.309 267 V C 0.198 176.225 176.094 -0.111 0.000 1.077 267 V CA -0.252 61.975 62.300 -0.121 0.000 0.910 267 V CB 1.511 33.286 31.823 -0.079 0.000 1.008 267 V HN 1.530 nan 8.190 nan 0.000 0.424 268 A N 3.718 126.464 122.820 -0.123 0.000 2.325 268 A HA 0.913 5.233 4.320 -0.000 0.000 0.333 268 A C -0.833 176.668 177.584 -0.139 0.000 1.155 268 A CA -0.603 51.348 52.037 -0.142 0.000 0.814 268 A CB 1.618 20.532 19.000 -0.145 0.000 1.206 268 A HN 0.768 nan 8.150 nan 0.000 0.482 269 V N 2.300 122.114 119.914 -0.167 0.000 2.407 269 V HA 0.576 4.695 4.120 -0.000 0.000 0.291 269 V C 0.892 176.858 176.094 -0.213 0.000 1.018 269 V CA 0.343 62.542 62.300 -0.167 0.000 0.842 269 V CB 1.064 32.796 31.823 -0.152 0.000 0.996 269 V HN 1.183 nan 8.190 nan 0.000 0.426 270 G N 2.546 111.212 108.800 -0.223 0.000 2.534 270 G HA2 0.041 4.001 3.960 -0.000 0.000 0.224 270 G HA3 0.041 4.001 3.960 -0.000 0.000 0.224 270 G C 1.273 175.861 174.900 -0.519 0.000 1.822 270 G CA 1.020 45.939 45.100 -0.302 0.000 0.805 270 G HN 0.526 nan 8.290 nan 0.000 0.649 271 T N 2.276 116.538 114.554 -0.486 0.000 2.737 271 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 271 T C 2.623 177.024 174.700 -0.498 0.000 1.040 271 T CA 1.813 63.541 62.100 -0.620 0.000 1.142 271 T CB -0.463 68.269 68.868 -0.226 0.000 0.861 271 T HN 0.420 nan 8.240 nan 0.000 0.456 272 A N 2.257 124.907 122.820 -0.284 0.000 2.024 272 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 272 A C 2.233 179.744 177.584 -0.121 0.000 1.164 272 A CA 1.377 53.325 52.037 -0.147 0.000 0.643 272 A CB -0.554 18.386 19.000 -0.100 0.000 0.806 272 A HN 0.461 nan 8.150 nan 0.000 0.451 273 N N -0.618 117.944 118.700 -0.230 0.000 2.223 273 N HA -0.120 4.620 4.740 -0.000 0.000 0.185 273 N C 1.233 176.838 175.510 0.158 0.000 1.016 273 N CA 1.312 54.315 53.050 -0.079 0.000 0.863 273 N CB -0.400 37.975 38.487 -0.186 0.000 0.983 273 N HN 0.490 nan 8.380 nan 0.000 0.429 274 F N 1.322 121.299 119.950 0.045 0.000 2.146 274 F HA 0.071 4.598 4.527 -0.000 0.000 0.298 274 F C 2.489 178.299 175.800 0.017 0.000 1.096 274 F CA 0.036 58.054 58.000 0.031 0.000 1.275 274 F CB -1.248 37.760 39.000 0.014 0.000 1.008 274 F HN -0.027 nan 8.300 nan 0.000 0.480 275 A N -1.225 121.712 122.820 0.195 0.000 1.872 275 A HA -0.098 4.222 4.320 -0.000 0.000 0.214 275 A C 0.393 178.042 177.584 0.108 0.000 1.187 275 A CA 1.663 53.773 52.037 0.123 0.000 0.614 275 A CB -0.433 18.615 19.000 0.081 0.000 0.826 275 A HN 0.237 nan 8.150 nan 0.000 0.442 276 D N -2.010 118.451 120.400 0.101 0.000 2.402 276 D HA 0.285 4.925 4.640 -0.000 0.000 0.252 276 D C -2.229 174.130 176.300 0.097 0.000 1.294 276 D CA -1.921 52.151 54.000 0.120 0.000 0.948 276 D CB 1.626 42.502 40.800 0.126 0.000 1.202 276 D HN -0.023 nan 8.370 nan 0.000 0.561 277 P HA -0.073 nan 4.420 nan 0.000 0.226 277 P C 0.619 177.821 177.300 -0.163 0.000 1.146 277 P CA 0.595 63.639 63.100 -0.092 0.000 0.773 277 P CB 0.011 31.377 31.700 -0.557 0.000 0.772 278 F N -1.592 118.467 119.950 0.181 0.000 2.653 278 F HA 0.137 4.664 4.527 -0.000 0.000 0.304 278 F C 2.233 178.007 175.800 -0.042 0.000 1.092 278 F CA -0.227 57.803 58.000 0.051 0.000 1.279 278 F CB -0.714 38.319 39.000 0.054 0.000 1.044 278 F HN -0.269 nan 8.300 nan 0.000 0.564 279 V N -0.535 119.447 119.914 0.114 0.000 2.380 279 V HA -0.352 3.768 4.120 -0.000 0.000 0.251 279 V C 2.114 178.204 176.094 -0.007 0.000 1.063 279 V CA 2.370 64.700 62.300 0.049 0.000 1.055 279 V CB -0.371 31.464 31.823 0.020 0.000 0.657 279 V HN 0.584 nan 8.190 nan 0.000 0.455 280 C N -0.256 119.021 119.300 -0.038 0.000 2.462 280 C HA -0.021 4.438 4.460 -0.000 0.000 0.278 280 C C 0.560 175.486 174.990 -0.106 0.000 1.253 280 C CA 1.548 60.522 59.018 -0.073 0.000 1.713 280 C CB -1.999 25.710 27.740 -0.052 0.000 2.049 280 C HN 0.512 nan 8.230 nan 0.000 0.477 281 P HA -0.117 nan 4.420 nan 0.000 0.216 281 P C 1.372 178.626 177.300 -0.076 0.000 1.150 281 P CA 1.540 64.531 63.100 -0.182 0.000 0.837 281 P CB -0.154 31.358 31.700 -0.314 0.000 0.786 282 K N -0.612 119.762 120.400 -0.043 0.000 2.026 282 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 282 K C 2.088 178.681 176.600 -0.013 0.000 1.048 282 K CA 1.328 57.607 56.287 -0.013 0.000 0.929 282 K CB -0.704 31.807 32.500 0.018 0.000 0.713 282 K HN 0.153 nan 8.250 nan 0.000 0.439 283 I N 1.110 121.671 120.570 -0.015 0.000 2.163 283 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 283 I C 2.300 178.411 176.117 -0.010 0.000 1.085 283 I CA 1.404 62.699 61.300 -0.009 0.000 1.347 283 I CB -0.391 37.601 38.000 -0.013 0.000 1.044 283 I HN 0.135 nan 8.210 nan 0.000 0.408 284 I N 0.643 121.201 120.570 -0.020 0.000 2.208 284 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 284 I C 2.077 178.187 176.117 -0.012 0.000 1.097 284 I CA 1.446 62.736 61.300 -0.016 0.000 1.363 284 I CB -0.478 37.509 38.000 -0.021 0.000 1.051 284 I HN 0.266 nan 8.210 nan 0.000 0.413 285 D N 0.544 120.935 120.400 -0.015 0.000 2.149 285 D HA -0.170 4.469 4.640 -0.000 0.000 0.201 285 D C 2.088 178.383 176.300 -0.008 0.000 0.972 285 D CA 1.091 55.084 54.000 -0.012 0.000 0.835 285 D CB -0.096 40.695 40.800 -0.015 0.000 0.966 285 D HN 0.110 nan 8.370 nan 0.000 0.476 286 K N 0.593 120.990 120.400 -0.005 0.000 2.296 286 K HA -0.018 4.301 4.320 -0.000 0.000 0.200 286 K C 1.779 178.382 176.600 0.005 0.000 1.048 286 K CA 0.128 56.415 56.287 0.000 0.000 0.966 286 K CB -0.348 32.155 32.500 0.006 0.000 0.754 286 K HN -0.069 nan 8.250 nan 0.000 0.466 287 L N 1.209 122.433 121.223 0.003 0.000 2.013 287 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 287 L C -1.054 175.814 176.870 -0.004 0.000 1.073 287 L CA 1.893 56.735 54.840 0.003 0.000 0.753 287 L CB -1.297 40.759 42.059 -0.005 0.000 0.890 287 L HN 0.135 nan 8.230 nan 0.000 0.432 288 P HA -0.145 nan 4.420 nan 0.000 0.217 288 P C 1.388 178.678 177.300 -0.017 0.000 1.150 288 P CA 1.274 64.364 63.100 -0.017 0.000 0.832 288 P CB 0.067 31.757 31.700 -0.016 0.000 0.787 289 E N -0.781 119.409 120.200 -0.016 0.000 2.051 289 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 289 E C 1.867 178.447 176.600 -0.034 0.000 0.991 289 E CA 0.881 57.265 56.400 -0.027 0.000 0.799 289 E CB -0.789 28.897 29.700 -0.023 0.000 0.748 289 E HN 0.076 nan 8.360 nan 0.000 0.449 290 L N 0.460 121.682 121.223 -0.002 0.000 2.046 290 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 290 L C 2.253 179.164 176.870 0.069 0.000 1.077 290 L CA 1.668 56.533 54.840 0.041 0.000 0.747 290 L CB -0.325 41.800 42.059 0.111 0.000 0.896 290 L HN 0.211 nan 8.230 nan 0.000 0.432 291 M N -1.284 118.341 119.600 0.042 0.000 2.117 291 M HA -0.219 4.260 4.480 -0.000 0.000 0.262 291 M C 1.809 178.113 176.300 0.006 0.000 1.065 291 M CA 1.556 56.879 55.300 0.037 0.000 1.114 291 M CB -0.521 32.072 32.600 -0.012 0.000 1.361 291 M HN 0.196 nan 8.290 nan 0.000 0.408 292 D N 0.218 120.600 120.400 -0.031 0.000 2.106 292 D HA -0.247 4.393 4.640 -0.000 0.000 0.191 292 D C 1.849 178.092 176.300 -0.094 0.000 0.997 292 D CA 1.502 55.471 54.000 -0.052 0.000 0.834 292 D CB -0.558 40.208 40.800 -0.056 0.000 0.956 292 D HN 0.480 nan 8.370 nan 0.000 0.448 293 Q N -0.644 119.049 119.800 -0.177 0.000 2.181 293 Q HA -0.188 4.151 4.340 -0.000 0.000 0.205 293 Q C 0.637 176.364 176.000 -0.455 0.000 0.980 293 Q CA 1.219 56.808 55.803 -0.358 0.000 0.862 293 Q CB -0.040 28.381 28.738 -0.528 0.000 0.905 293 Q HN 0.360 nan 8.270 nan 0.000 0.429 294 Y N -0.019 120.269 120.300 -0.019 0.000 2.708 294 Y HA 0.373 4.922 4.550 -0.000 0.000 0.287 294 Y C -0.178 175.709 175.900 -0.020 0.000 1.145 294 Y CA -0.288 57.801 58.100 -0.018 0.000 1.249 294 Y CB 0.305 38.754 38.460 -0.018 0.000 1.152 294 Y HN 0.048 nan 8.280 nan 0.000 0.532 295 R N 0.133 120.667 120.500 0.057 0.000 3.641 295 R HA -0.202 4.138 4.340 -0.000 0.000 0.286 295 R C -0.882 175.436 176.300 0.030 0.000 1.153 295 R CA 0.660 56.780 56.100 0.034 0.000 0.775 295 R CB -2.324 27.998 30.300 0.038 0.000 1.215 295 R HN 0.347 nan 8.270 nan 0.000 0.474 296 I N 0.166 120.752 120.570 0.027 0.000 2.312 296 I HA 0.088 4.258 4.170 -0.000 0.000 0.290 296 I C 1.540 177.646 176.117 -0.019 0.000 1.008 296 I CA -0.357 60.943 61.300 -0.001 0.000 1.226 296 I CB 1.477 39.469 38.000 -0.013 0.000 1.371 296 I HN 0.103 nan 8.210 nan 0.000 0.468 297 E N 3.243 123.430 120.200 -0.021 0.000 2.046 297 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 297 E C 0.368 176.948 176.600 -0.034 0.000 0.982 297 E CA 0.888 57.274 56.400 -0.023 0.000 0.800 297 E CB 0.289 29.980 29.700 -0.016 0.000 0.756 297 E HN 0.740 nan 8.360 nan 0.000 0.449 298 S N -1.443 114.230 115.700 -0.045 0.000 2.550 298 S HA 0.263 4.733 4.470 -0.000 0.000 0.270 298 S C 0.394 174.935 174.600 -0.098 0.000 1.145 298 S CA -0.812 57.353 58.200 -0.060 0.000 0.852 298 S CB 0.961 64.140 63.200 -0.036 0.000 1.119 298 S HN 0.080 nan 8.310 nan 0.000 0.465 299 L N 0.669 121.805 121.223 -0.144 0.000 2.191 299 L HA -0.015 4.325 4.340 -0.000 0.000 0.212 299 L C 2.658 179.463 176.870 -0.108 0.000 1.103 299 L CA 1.447 56.132 54.840 -0.259 0.000 0.769 299 L CB -0.460 41.392 42.059 -0.344 0.000 0.908 299 L HN 0.835 nan 8.230 nan 0.000 0.438 300 E N 0.124 120.300 120.200 -0.039 0.000 2.110 300 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 300 E C 2.246 178.851 176.600 0.008 0.000 0.988 300 E CA 1.405 57.810 56.400 0.009 0.000 0.804 300 E CB 0.068 29.773 29.700 0.008 0.000 0.745 300 E HN 0.268 nan 8.360 nan 0.000 0.458 301 S N -0.061 115.631 115.700 -0.012 0.000 2.414 301 S HA -0.065 4.405 4.470 -0.000 0.000 0.227 301 S C 1.673 176.272 174.600 -0.001 0.000 1.022 301 S CA 0.608 58.805 58.200 -0.005 0.000 0.958 301 S CB -0.222 62.971 63.200 -0.012 0.000 0.797 301 S HN 0.223 nan 8.310 nan 0.000 0.493 302 L N 2.257 123.465 121.223 -0.024 0.000 2.046 302 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 302 L C 1.862 178.769 176.870 0.062 0.000 1.077 302 L CA 1.492 56.325 54.840 -0.012 0.000 0.747 302 L CB -0.647 41.347 42.059 -0.109 0.000 0.896 302 L HN 0.263 nan 8.230 nan 0.000 0.432 303 I N -0.797 119.834 120.570 0.101 0.000 2.127 303 I HA -0.386 3.784 4.170 -0.000 0.000 0.241 303 I C 2.531 178.696 176.117 0.080 0.000 1.075 303 I CA 1.688 63.074 61.300 0.143 0.000 1.334 303 I CB -0.433 37.657 38.000 0.150 0.000 1.040 303 I HN 0.389 nan 8.210 nan 0.000 0.405 304 Q N 0.387 120.219 119.800 0.054 0.000 2.084 304 Q HA -0.239 4.100 4.340 -0.000 0.000 0.202 304 Q C 2.156 178.175 176.000 0.032 0.000 0.978 304 Q CA 1.582 57.406 55.803 0.036 0.000 0.844 304 Q CB -0.172 28.581 28.738 0.026 0.000 0.898 304 Q HN 0.537 nan 8.270 nan 0.000 0.426 305 E N -0.008 120.212 120.200 0.032 0.000 2.051 305 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 305 E C 2.078 178.699 176.600 0.035 0.000 0.991 305 E CA 1.406 57.823 56.400 0.028 0.000 0.799 305 E CB 0.033 29.747 29.700 0.023 0.000 0.748 305 E HN 0.130 nan 8.360 nan 0.000 0.449 306 V N 1.548 121.492 119.914 0.049 0.000 2.427 306 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 306 V C 2.335 178.456 176.094 0.046 0.000 1.051 306 V CA 1.678 64.011 62.300 0.056 0.000 1.048 306 V CB -0.403 31.468 31.823 0.080 0.000 0.666 306 V HN 0.207 nan 8.190 nan 0.000 0.456 307 K N 0.844 121.269 120.400 0.040 0.000 2.057 307 K HA -0.223 4.097 4.320 -0.000 0.000 0.206 307 K C 2.139 178.750 176.600 0.018 0.000 1.050 307 K CA 1.888 58.190 56.287 0.026 0.000 0.935 307 K CB -0.074 32.441 32.500 0.025 0.000 0.715 307 K HN 0.765 nan 8.250 nan 0.000 0.439 308 E N -0.848 119.364 120.200 0.020 0.000 2.371 308 E HA -0.021 4.329 4.350 -0.000 0.000 0.194 308 E C 0.873 177.483 176.600 0.016 0.000 1.012 308 E CA 0.592 57.001 56.400 0.015 0.000 0.860 308 E CB 0.068 29.776 29.700 0.013 0.000 0.811 308 E HN 0.256 nan 8.360 nan 0.000 0.502 309 G N 2.238 111.051 108.800 0.022 0.000 3.541 309 G HA2 0.060 4.019 3.960 -0.000 0.000 0.253 309 G HA3 0.060 4.019 3.960 -0.000 0.000 0.253 309 G C 0.485 175.403 174.900 0.029 0.000 1.017 309 G CA -0.331 44.784 45.100 0.025 0.000 1.832 309 G HN 0.283 nan 8.290 nan 0.000 0.649 310 K N 0.188 120.601 120.400 0.021 0.000 2.253 310 K HA 0.414 4.734 4.320 -0.000 0.000 0.225 310 K C 0.769 177.378 176.600 0.016 0.000 1.037 310 K CA 0.096 56.394 56.287 0.017 0.000 0.928 310 K CB 0.316 32.817 32.500 0.002 0.000 1.057 310 K HN 0.327 nan 8.250 nan 0.000 0.462 311 K N 0.000 120.405 120.400 0.008 0.000 2.780 311 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 311 K CA 0.000 56.291 56.287 0.007 0.000 0.838 311 K CB 0.000 32.502 32.500 0.003 0.000 1.064 311 K HN 0.000 nan 8.250 nan 0.000 0.543