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 1dr8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKVAVLPGDG IGPEVTEAAL KVLRALDEAE GLGLAYEVFP FGGAAIDAFG DATA SEQUENCE EPFPEPTRKG VEEAEAVLLG SVGGPKWDGL PRKIRPETGL LSLRKSQDLF DATA SEQUENCE ANLRPAKVFP GLERLSPLKE EIARGVDVLI VRELTGGIYF GEPRGMSEAE DATA SEQUENCE AWNTERYSKP EVERVARVAF ELARKRRKHV VSVDKANVLE VGEFWRKTVE DATA SEQUENCE EVGRGYPDVA LEHQYVDAMA MHLVRSPARF DVVVTGNIFG DILSDLASVL DATA SEQUENCE PGSLGLLPSA SLGRGTPVFE PVHGSAPDIA GKGIANPTAA ILSAAMMLEH DATA SEQUENCE AFGLVELARK VEDAVAKALL ETPPPDLGGS AGTEAFTATV GMGI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.013 0.000 1.140 1 M CA 0.000 55.133 55.300 -0.278 0.000 0.988 1 M CB 0.000 32.218 32.600 -0.636 0.000 1.302 2 K N 1.688 122.173 120.400 0.141 0.000 2.339 2 K HA 0.556 4.876 4.320 -0.000 0.000 0.286 2 K C -1.076 175.680 176.600 0.261 0.000 1.050 2 K CA -0.017 56.376 56.287 0.177 0.000 0.956 2 K CB 0.840 33.432 32.500 0.154 0.000 0.990 2 K HN 0.327 nan 8.250 nan 0.000 0.475 3 V N 2.931 123.003 119.914 0.263 0.000 2.735 3 V HA 0.597 4.717 4.120 -0.000 0.000 0.310 3 V C -0.675 175.598 176.094 0.299 0.000 1.061 3 V CA -1.147 61.315 62.300 0.271 0.000 0.913 3 V CB 1.713 33.675 31.823 0.231 0.000 1.005 3 V HN 0.898 nan 8.190 nan 0.000 0.428 4 A N 3.844 126.824 122.820 0.268 0.000 2.258 4 A HA 0.768 5.088 4.320 -0.000 0.000 0.316 4 A C -0.637 177.120 177.584 0.289 0.000 1.279 4 A CA -0.458 51.810 52.037 0.386 0.000 0.876 4 A CB 0.913 20.029 19.000 0.195 0.000 1.170 4 A HN 0.712 nan 8.150 nan 0.000 0.520 5 V N 4.172 124.290 119.914 0.339 0.000 2.350 5 V HA 0.263 4.383 4.120 -0.000 0.000 0.276 5 V C -0.695 175.525 176.094 0.210 0.000 1.028 5 V CA -0.297 62.109 62.300 0.177 0.000 0.860 5 V CB 0.923 32.794 31.823 0.081 0.000 0.990 5 V HN 0.673 nan 8.190 nan 0.000 0.453 6 L N 8.974 130.256 121.223 0.099 0.000 2.426 6 L HA 0.418 4.758 4.340 -0.000 0.000 0.255 6 L C -1.562 175.353 176.870 0.076 0.000 1.080 6 L CA -1.938 52.955 54.840 0.087 0.000 0.960 6 L CB 0.947 42.891 42.059 -0.192 0.000 1.326 6 L HN 0.351 nan 8.230 nan 0.000 0.441 7 P HA -0.078 nan 4.420 nan 0.000 0.216 7 P C 0.994 178.372 177.300 0.130 0.000 1.150 7 P CA 1.312 64.475 63.100 0.105 0.000 0.843 7 P CB 0.339 32.104 31.700 0.108 0.000 0.787 8 G N -0.057 108.853 108.800 0.184 0.000 2.562 8 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.250 8 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.250 8 G C -0.766 174.209 174.900 0.126 0.000 1.269 8 G CA 0.169 45.377 45.100 0.181 0.000 0.919 8 G HN 0.288 nan 8.290 nan 0.000 0.574 9 D N 0.369 120.835 120.400 0.111 0.000 2.650 9 D HA 0.626 5.265 4.640 -0.000 0.000 0.255 9 D C 1.260 177.667 176.300 0.179 0.000 1.135 9 D CA 0.812 54.914 54.000 0.170 0.000 1.099 9 D CB 0.309 41.268 40.800 0.265 0.000 1.273 9 D HN 2.080 nan 8.370 nan 0.000 0.628 10 G N 0.678 109.598 108.800 0.200 0.000 2.566 10 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.280 10 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.280 10 G C 0.886 175.863 174.900 0.128 0.000 1.225 10 G CA 0.437 45.631 45.100 0.157 0.000 0.966 10 G HN 0.814 nan 8.290 nan 0.000 0.560 11 I N 1.535 122.178 120.570 0.121 0.000 3.550 11 I HA 0.222 4.392 4.170 -0.000 0.000 0.295 11 I C 1.964 178.164 176.117 0.138 0.000 1.291 11 I CA 1.881 63.243 61.300 0.103 0.000 1.298 11 I CB -1.745 36.289 38.000 0.056 0.000 1.026 11 I HN 0.795 nan 8.210 nan 0.000 0.491 12 G N 3.247 112.137 108.800 0.149 0.000 2.628 12 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 12 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 12 G C -0.479 174.488 174.900 0.111 0.000 1.240 12 G CA 1.246 46.428 45.100 0.136 0.000 0.792 12 G HN 0.373 nan 8.290 nan 0.000 0.593 13 P HA -0.061 nan 4.420 nan 0.000 0.216 13 P C 1.549 178.894 177.300 0.075 0.000 1.153 13 P CA 1.607 64.760 63.100 0.087 0.000 0.858 13 P CB -0.009 31.745 31.700 0.090 0.000 0.789 14 E N -0.156 120.089 120.200 0.076 0.000 2.013 14 E HA -0.199 4.150 4.350 -0.000 0.000 0.202 14 E C 1.834 178.472 176.600 0.065 0.000 1.018 14 E CA 2.335 58.773 56.400 0.063 0.000 0.834 14 E CB -0.714 29.018 29.700 0.055 0.000 0.770 14 E HN 0.065 nan 8.360 nan 0.000 0.459 15 V N -1.423 118.540 119.914 0.081 0.000 2.594 15 V HA -0.175 3.945 4.120 -0.000 0.000 0.253 15 V C 2.052 178.194 176.094 0.079 0.000 1.069 15 V CA 2.093 64.448 62.300 0.092 0.000 1.082 15 V CB -0.970 30.946 31.823 0.155 0.000 0.680 15 V HN 0.227 nan 8.190 nan 0.000 0.469 16 T N 0.266 114.860 114.554 0.067 0.000 2.770 16 T HA -0.118 4.231 4.350 -0.000 0.000 0.263 16 T C 1.839 176.545 174.700 0.009 0.000 1.039 16 T CA 1.719 63.839 62.100 0.033 0.000 1.142 16 T CB -0.348 68.539 68.868 0.032 0.000 0.868 16 T HN 0.569 nan 8.240 nan 0.000 0.435 17 E N 1.923 122.138 120.200 0.025 0.000 2.070 17 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 17 E C 2.256 178.866 176.600 0.017 0.000 1.004 17 E CA 1.734 58.147 56.400 0.020 0.000 0.805 17 E CB -0.809 28.916 29.700 0.042 0.000 0.744 17 E HN 0.425 nan 8.360 nan 0.000 0.451 18 A N 1.010 123.851 122.820 0.035 0.000 1.859 18 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 18 A C 2.532 180.131 177.584 0.026 0.000 1.198 18 A CA 3.102 55.166 52.037 0.045 0.000 0.629 18 A CB -1.350 17.695 19.000 0.076 0.000 0.830 18 A HN 0.416 nan 8.150 nan 0.000 0.446 19 A N -0.708 122.125 122.820 0.021 0.000 1.948 19 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 19 A C 2.213 179.769 177.584 -0.046 0.000 1.177 19 A CA 1.677 53.712 52.037 -0.002 0.000 0.636 19 A CB -0.620 18.378 19.000 -0.002 0.000 0.815 19 A HN 0.508 nan 8.150 nan 0.000 0.449 20 L N -1.385 119.792 121.223 -0.078 0.000 2.141 20 L HA -0.165 4.174 4.340 -0.000 0.000 0.209 20 L C 2.619 179.460 176.870 -0.050 0.000 1.094 20 L CA 1.603 56.358 54.840 -0.141 0.000 0.763 20 L CB -0.320 41.592 42.059 -0.244 0.000 0.908 20 L HN 0.406 nan 8.230 nan 0.000 0.437 21 K N -0.510 119.883 120.400 -0.012 0.000 2.026 21 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 21 K C 1.988 178.587 176.600 -0.002 0.000 1.048 21 K CA 1.252 57.545 56.287 0.009 0.000 0.929 21 K CB -0.037 32.473 32.500 0.016 0.000 0.713 21 K HN 0.050 nan 8.250 nan 0.000 0.439 22 V N 1.248 121.156 119.914 -0.010 0.000 2.295 22 V HA -0.260 3.859 4.120 -0.000 0.000 0.246 22 V C 2.183 178.264 176.094 -0.023 0.000 1.049 22 V CA 1.377 63.667 62.300 -0.018 0.000 1.024 22 V CB -0.397 31.417 31.823 -0.015 0.000 0.648 22 V HN 0.264 nan 8.190 nan 0.000 0.447 23 L N 0.086 121.290 121.223 -0.031 0.000 1.970 23 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 23 L C 2.651 179.512 176.870 -0.014 0.000 1.071 23 L CA 1.991 56.808 54.840 -0.038 0.000 0.751 23 L CB -1.057 40.959 42.059 -0.072 0.000 0.889 23 L HN 0.266 nan 8.230 nan 0.000 0.432 24 R N -1.061 119.446 120.500 0.013 0.000 2.117 24 R HA -0.205 4.135 4.340 -0.000 0.000 0.243 24 R C 2.134 178.442 176.300 0.014 0.000 1.143 24 R CA 1.396 57.522 56.100 0.043 0.000 0.968 24 R CB -0.650 29.696 30.300 0.078 0.000 0.863 24 R HN 0.474 nan 8.270 nan 0.000 0.444 25 A N 1.477 124.298 122.820 0.002 0.000 1.855 25 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 25 A C 2.153 179.727 177.584 -0.016 0.000 1.191 25 A CA 0.853 52.885 52.037 -0.008 0.000 0.613 25 A CB -0.663 18.329 19.000 -0.014 0.000 0.829 25 A HN 0.253 nan 8.150 nan 0.000 0.442 26 L N 0.020 121.230 121.223 -0.022 0.000 2.043 26 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 26 L C 2.255 179.106 176.870 -0.032 0.000 1.075 26 L CA 2.939 57.761 54.840 -0.029 0.000 0.752 26 L CB -0.638 41.401 42.059 -0.034 0.000 0.891 26 L HN 0.668 nan 8.230 nan 0.000 0.432 27 D N -0.738 119.643 120.400 -0.031 0.000 2.103 27 D HA -0.259 4.380 4.640 -0.000 0.000 0.199 27 D C 2.010 178.294 176.300 -0.026 0.000 0.978 27 D CA 1.476 55.454 54.000 -0.036 0.000 0.829 27 D CB 0.074 40.856 40.800 -0.030 0.000 0.981 27 D HN 0.286 nan 8.370 nan 0.000 0.464 28 E N -0.415 119.776 120.200 -0.015 0.000 2.058 28 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 28 E C 2.017 178.607 176.600 -0.016 0.000 0.997 28 E CA 1.496 57.889 56.400 -0.012 0.000 0.801 28 E CB -0.318 29.378 29.700 -0.006 0.000 0.746 28 E HN 0.396 nan 8.360 nan 0.000 0.450 29 A N 0.329 123.139 122.820 -0.018 0.000 2.067 29 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 29 A C 1.382 178.953 177.584 -0.021 0.000 1.158 29 A CA 1.302 53.328 52.037 -0.019 0.000 0.661 29 A CB -0.047 18.941 19.000 -0.020 0.000 0.801 29 A HN 0.198 nan 8.150 nan 0.000 0.452 30 E N -1.000 119.185 120.200 -0.025 0.000 2.630 30 E HA 0.266 4.615 4.350 -0.000 0.000 0.218 30 E C 0.543 177.124 176.600 -0.031 0.000 0.977 30 E CA 0.280 56.663 56.400 -0.027 0.000 1.038 30 E CB -0.105 29.576 29.700 -0.031 0.000 1.051 30 E HN 0.654 nan 8.360 nan 0.000 0.487 31 G N 2.303 111.085 108.800 -0.031 0.000 2.349 31 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.223 31 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.223 31 G C 0.184 175.055 174.900 -0.049 0.000 0.736 31 G CA 0.026 45.106 45.100 -0.034 0.000 1.073 31 G HN 0.173 nan 8.290 nan 0.000 0.308 32 L N 1.113 122.298 121.223 -0.063 0.000 2.878 32 L HA 0.456 4.795 4.340 -0.000 0.000 0.253 32 L C 2.130 178.932 176.870 -0.115 0.000 1.135 32 L CA 1.168 55.946 54.840 -0.102 0.000 0.943 32 L CB 0.138 42.118 42.059 -0.132 0.000 1.307 32 L HN 1.793 nan 8.230 nan 0.000 0.545 33 G N 1.210 109.966 108.800 -0.075 0.000 2.249 33 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.273 33 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.273 33 G C 0.126 174.982 174.900 -0.073 0.000 1.036 33 G CA 0.496 45.559 45.100 -0.062 0.000 0.824 33 G HN 0.250 nan 8.290 nan 0.000 0.504 34 L N 0.462 121.644 121.223 -0.069 0.000 2.410 34 L HA 0.670 5.009 4.340 -0.000 0.000 0.273 34 L C 0.390 177.282 176.870 0.037 0.000 1.144 34 L CA 0.403 55.220 54.840 -0.038 0.000 0.863 34 L CB 0.698 42.751 42.059 -0.009 0.000 1.140 34 L HN 0.984 nan 8.230 nan 0.000 0.463 35 A N 5.543 128.405 122.820 0.070 0.000 2.374 35 A HA 0.757 5.076 4.320 -0.000 0.000 0.305 35 A C -1.551 176.128 177.584 0.158 0.000 1.053 35 A CA -0.355 51.713 52.037 0.053 0.000 0.726 35 A CB 0.955 19.968 19.000 0.021 0.000 1.229 35 A HN 0.988 nan 8.150 nan 0.000 0.431 36 Y N -0.281 120.031 120.300 0.020 0.000 2.656 36 Y HA 0.760 5.309 4.550 -0.000 0.000 0.334 36 Y C -1.014 174.879 175.900 -0.012 0.000 1.179 36 Y CA -0.867 57.254 58.100 0.035 0.000 1.050 36 Y CB 0.977 39.463 38.460 0.043 0.000 1.308 36 Y HN 0.886 nan 8.280 nan 0.000 0.456 37 E N 1.795 122.077 120.200 0.137 0.000 2.331 37 E HA 0.566 4.916 4.350 -0.000 0.000 0.275 37 E C -2.019 174.476 176.600 -0.174 0.000 0.895 37 E CA -1.265 55.058 56.400 -0.128 0.000 0.753 37 E CB 2.643 32.151 29.700 -0.320 0.000 1.216 37 E HN 1.071 nan 8.360 nan 0.000 0.434 38 V N 3.343 123.153 119.914 -0.173 0.000 2.686 38 V HA 0.645 4.764 4.120 -0.000 0.000 0.295 38 V C -1.361 174.524 176.094 -0.347 0.000 1.057 38 V CA -0.138 62.102 62.300 -0.099 0.000 1.012 38 V CB 0.358 32.213 31.823 0.054 0.000 1.006 38 V HN 0.678 nan 8.190 nan 0.000 0.477 39 F N 5.129 125.155 119.950 0.126 0.000 2.546 39 F HA 0.655 5.182 4.527 -0.000 0.000 0.320 39 F C -2.163 173.737 175.800 0.167 0.000 1.076 39 F CA -2.312 55.766 58.000 0.128 0.000 0.928 39 F CB 2.407 41.475 39.000 0.115 0.000 1.189 39 F HN 0.418 nan 8.300 nan 0.000 0.465 40 P HA 0.153 nan 4.420 nan 0.000 0.271 40 P C -1.098 176.413 177.300 0.353 0.000 1.226 40 P CA 0.290 63.592 63.100 0.337 0.000 0.765 40 P CB 0.752 32.723 31.700 0.452 0.000 0.835 41 F N 2.319 122.336 119.950 0.111 0.000 2.641 41 F HA 0.533 5.060 4.527 -0.000 0.000 0.308 41 F C 0.484 176.252 175.800 -0.054 0.000 1.105 41 F CA 0.863 58.886 58.000 0.039 0.000 0.964 41 F CB 1.939 40.948 39.000 0.015 0.000 1.294 41 F HN 0.760 nan 8.300 nan 0.000 0.442 42 G N 2.712 110.872 108.800 -1.067 0.000 2.569 42 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.259 42 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.259 42 G C 0.992 175.475 174.900 -0.694 0.000 1.263 42 G CA 0.074 44.693 45.100 -0.802 0.000 0.928 42 G HN 1.791 nan 8.290 nan 0.000 0.572 43 G N -0.234 107.935 108.800 -1.052 0.000 2.545 43 G HA2 0.099 4.059 3.960 -0.000 0.000 0.222 43 G HA3 0.099 4.059 3.960 -0.000 0.000 0.222 43 G C 2.161 176.558 174.900 -0.838 0.000 1.126 43 G CA 3.424 47.317 45.100 -2.011 0.000 0.754 43 G HN 2.026 nan 8.290 nan 0.000 0.583 44 A N 1.351 123.955 122.820 -0.360 0.000 1.841 44 A HA 0.199 4.519 4.320 -0.000 0.000 0.216 44 A C 2.909 180.511 177.584 0.030 0.000 1.199 44 A CA 2.738 54.768 52.037 -0.012 0.000 0.621 44 A CB -1.165 17.877 19.000 0.071 0.000 0.835 44 A HN 1.060 nan 8.150 nan 0.000 0.445 45 A N -0.340 122.502 122.820 0.037 0.000 1.986 45 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 45 A C 2.098 179.802 177.584 0.200 0.000 1.171 45 A CA 1.685 53.863 52.037 0.234 0.000 0.640 45 A CB -0.724 18.342 19.000 0.109 0.000 0.811 45 A HN 0.548 nan 8.150 nan 0.000 0.451 46 I N -0.314 120.227 120.570 -0.048 0.000 2.286 46 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 46 I C 0.741 176.891 176.117 0.056 0.000 1.115 46 I CA 1.207 62.482 61.300 -0.040 0.000 1.392 46 I CB -0.298 37.564 38.000 -0.229 0.000 1.065 46 I HN 0.199 nan 8.210 nan 0.000 0.418 47 D N 0.574 121.026 120.400 0.087 0.000 2.352 47 D HA 0.211 4.851 4.640 -0.000 0.000 0.236 47 D C 1.078 177.362 176.300 -0.028 0.000 1.148 47 D CA 0.381 54.440 54.000 0.099 0.000 0.844 47 D CB 0.780 41.696 40.800 0.194 0.000 0.933 47 D HN 0.372 nan 8.370 nan 0.000 0.507 48 A N -1.103 121.636 122.820 -0.134 0.000 2.574 48 A HA 0.179 4.499 4.320 -0.000 0.000 0.170 48 A C 0.681 177.775 177.584 -0.816 0.000 1.617 48 A CA -0.225 51.511 52.037 -0.500 0.000 1.189 48 A CB 0.262 18.856 19.000 -0.677 0.000 1.496 48 A HN 0.120 nan 8.150 nan 0.000 0.505 49 F N -1.093 118.867 119.950 0.017 0.000 2.915 49 F HA 0.445 4.972 4.527 -0.000 0.000 0.347 49 F C 1.782 177.580 175.800 -0.002 0.000 1.104 49 F CA 0.349 58.354 58.000 0.008 0.000 1.126 49 F CB 0.983 39.988 39.000 0.008 0.000 1.145 49 F HN 0.385 nan 8.300 nan 0.000 0.541 50 G N 0.876 109.752 108.800 0.126 0.000 2.377 50 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.250 50 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.250 50 G C 0.272 175.209 174.900 0.062 0.000 1.039 50 G CA 0.589 45.737 45.100 0.079 0.000 0.625 50 G HN 0.476 nan 8.290 nan 0.000 0.526 51 E N 1.087 121.335 120.200 0.081 0.000 2.212 51 E HA 0.568 4.918 4.350 -0.000 0.000 0.268 51 E C -1.784 174.803 176.600 -0.022 0.000 0.902 51 E CA -1.675 54.736 56.400 0.018 0.000 0.779 51 E CB 2.906 32.612 29.700 0.010 0.000 1.172 51 E HN 0.149 nan 8.360 nan 0.000 0.409 52 P HA -0.152 nan 4.420 nan 0.000 0.215 52 P C 0.404 177.553 177.300 -0.251 0.000 1.153 52 P CA 1.029 63.962 63.100 -0.279 0.000 0.853 52 P CB 0.066 31.563 31.700 -0.339 0.000 0.788 53 F N 2.131 121.922 119.950 -0.265 0.000 2.434 53 F HA 0.464 4.991 4.527 -0.000 0.000 0.316 53 F C -2.336 173.403 175.800 -0.102 0.000 1.222 53 F CA -4.143 53.782 58.000 -0.124 0.000 1.207 53 F CB -0.466 38.528 39.000 -0.010 0.000 1.466 53 F HN -0.162 nan 8.300 nan 0.000 0.545 54 P HA -0.089 nan 4.420 nan 0.000 0.271 54 P C 0.821 177.874 177.300 -0.412 0.000 1.228 54 P CA 0.328 63.236 63.100 -0.319 0.000 0.797 54 P CB 0.915 32.192 31.700 -0.706 0.000 0.914 55 E N 1.262 121.256 120.200 -0.344 0.000 2.051 55 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 55 E C -0.580 175.861 176.600 -0.265 0.000 0.991 55 E CA 1.948 58.170 56.400 -0.296 0.000 0.799 55 E CB -2.079 27.514 29.700 -0.178 0.000 0.748 55 E HN 0.524 nan 8.360 nan 0.000 0.449 56 P HA -0.009 nan 4.420 nan 0.000 0.229 56 P C 1.008 178.230 177.300 -0.130 0.000 1.160 56 P CA 1.127 64.162 63.100 -0.109 0.000 0.777 56 P CB 0.052 31.737 31.700 -0.025 0.000 0.814 57 T N -0.502 113.941 114.554 -0.184 0.000 2.809 57 T HA 0.008 4.358 4.350 -0.000 0.000 0.260 57 T C 2.013 176.599 174.700 -0.190 0.000 1.039 57 T CA 0.595 62.596 62.100 -0.165 0.000 1.141 57 T CB -0.360 68.633 68.868 0.209 0.000 0.869 57 T HN 0.082 nan 8.240 nan 0.000 0.437 58 R N 0.944 121.229 120.500 -0.359 0.000 2.103 58 R HA -0.107 4.233 4.340 -0.000 0.000 0.242 58 R C 2.470 178.645 176.300 -0.208 0.000 1.142 58 R CA 1.571 57.412 56.100 -0.432 0.000 0.960 58 R CB -0.123 29.760 30.300 -0.695 0.000 0.858 58 R HN 0.239 nan 8.270 nan 0.000 0.439 59 K N -0.968 119.298 120.400 -0.223 0.000 2.103 59 K HA -0.048 4.271 4.320 -0.000 0.000 0.204 59 K C 1.942 178.426 176.600 -0.194 0.000 1.052 59 K CA 1.195 57.391 56.287 -0.153 0.000 0.945 59 K CB -0.182 32.258 32.500 -0.101 0.000 0.722 59 K HN 0.281 nan 8.250 nan 0.000 0.443 60 G N 0.349 108.895 108.800 -0.424 0.000 2.418 60 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 60 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 60 G C 1.462 176.058 174.900 -0.508 0.000 1.158 60 G CA 1.171 45.766 45.100 -0.841 0.000 0.771 60 G HN 0.309 nan 8.290 nan 0.000 0.545 61 V N -0.909 118.789 119.914 -0.359 0.000 2.488 61 V HA -0.001 4.119 4.120 -0.000 0.000 0.246 61 V C 2.233 178.286 176.094 -0.069 0.000 1.046 61 V CA 2.383 64.591 62.300 -0.152 0.000 1.053 61 V CB -0.214 31.565 31.823 -0.073 0.000 0.679 61 V HN 0.433 nan 8.190 nan 0.000 0.458 62 E N 0.836 120.998 120.200 -0.063 0.000 2.033 62 E HA -0.280 4.070 4.350 -0.000 0.000 0.199 62 E C 2.178 178.771 176.600 -0.012 0.000 1.011 62 E CA 2.253 58.635 56.400 -0.030 0.000 0.815 62 E CB -0.289 29.389 29.700 -0.037 0.000 0.755 62 E HN 0.840 nan 8.360 nan 0.000 0.451 63 E N 0.346 120.539 120.200 -0.011 0.000 2.338 63 E HA -0.019 4.331 4.350 -0.000 0.000 0.197 63 E C 0.662 177.294 176.600 0.053 0.000 1.007 63 E CA 0.472 56.887 56.400 0.026 0.000 0.849 63 E CB -0.122 29.602 29.700 0.040 0.000 0.774 63 E HN 0.193 nan 8.360 nan 0.000 0.506 64 A N 1.539 124.386 122.820 0.045 0.000 2.371 64 A HA 0.092 4.412 4.320 -0.000 0.000 0.257 64 A C 0.808 178.442 177.584 0.083 0.000 1.089 64 A CA -0.233 51.856 52.037 0.087 0.000 0.794 64 A CB 0.532 19.581 19.000 0.083 0.000 1.029 64 A HN 0.046 nan 8.150 nan 0.000 0.488 65 E N -0.299 119.981 120.200 0.133 0.000 2.478 65 E HA 0.385 4.735 4.350 -0.000 0.000 0.194 65 E C 0.176 176.803 176.600 0.045 0.000 1.045 65 E CA 0.752 57.225 56.400 0.121 0.000 0.868 65 E CB 0.205 30.059 29.700 0.258 0.000 0.885 65 E HN 0.864 nan 8.360 nan 0.000 0.505 66 A N -0.660 122.212 122.820 0.087 0.000 2.569 66 A HA 0.435 4.755 4.320 -0.000 0.000 0.292 66 A C -1.660 175.996 177.584 0.121 0.000 1.032 66 A CA -0.696 51.388 52.037 0.079 0.000 0.669 66 A CB 1.256 20.256 19.000 0.000 0.000 1.290 66 A HN -0.044 nan 8.150 nan 0.000 0.422 67 V N 1.329 121.318 119.914 0.125 0.000 2.540 67 V HA 0.632 4.752 4.120 -0.000 0.000 0.302 67 V C -0.907 175.262 176.094 0.126 0.000 1.035 67 V CA -0.408 61.933 62.300 0.069 0.000 0.873 67 V CB 1.510 33.294 31.823 -0.064 0.000 0.992 67 V HN 1.107 nan 8.190 nan 0.000 0.428 68 L N 7.205 128.474 121.223 0.077 0.000 2.337 68 L HA 0.658 4.997 4.340 -0.000 0.000 0.269 68 L C -0.854 176.014 176.870 -0.003 0.000 1.018 68 L CA -0.088 54.790 54.840 0.063 0.000 0.876 68 L CB 1.067 43.140 42.059 0.022 0.000 1.236 68 L HN 0.614 nan 8.230 nan 0.000 0.436 69 L N 3.879 125.074 121.223 -0.046 0.000 2.343 69 L HA 0.903 5.243 4.340 -0.000 0.000 0.275 69 L C 0.753 177.588 176.870 -0.059 0.000 1.056 69 L CA 0.553 55.326 54.840 -0.113 0.000 0.804 69 L CB 1.660 43.564 42.059 -0.259 0.000 1.203 69 L HN 0.531 nan 8.230 nan 0.000 0.440 70 G N 1.775 110.558 108.800 -0.028 0.000 2.568 70 G HA2 0.454 4.414 3.960 -0.000 0.000 0.212 70 G HA3 0.454 4.414 3.960 -0.000 0.000 0.212 70 G C -0.535 174.351 174.900 -0.024 0.000 1.821 70 G CA 0.510 45.611 45.100 0.002 0.000 0.904 70 G HN 0.834 nan 8.290 nan 0.000 0.566 71 S N -1.512 114.213 115.700 0.042 0.000 2.607 71 S HA 0.680 5.150 4.470 -0.000 0.000 0.273 71 S C -0.981 173.678 174.600 0.098 0.000 1.148 71 S CA -0.284 57.941 58.200 0.042 0.000 0.833 71 S CB 1.759 64.998 63.200 0.065 0.000 1.130 71 S HN 1.433 nan 8.310 nan 0.000 0.470 72 V N -2.632 117.332 119.914 0.084 0.000 3.049 72 V HA 1.044 5.164 4.120 -0.000 0.000 0.309 72 V C -0.035 176.091 176.094 0.053 0.000 1.148 72 V CA 0.193 62.518 62.300 0.042 0.000 0.990 72 V CB 0.869 32.708 31.823 0.027 0.000 1.039 72 V HN 2.401 nan 8.190 nan 0.000 0.430 73 G N 0.322 109.154 108.800 0.054 0.000 2.484 73 G HA2 0.627 4.587 3.960 -0.000 0.000 0.685 73 G HA3 0.627 4.587 3.960 -0.000 0.000 0.685 73 G C -0.195 175.001 174.900 0.494 0.000 1.294 73 G CA -0.112 45.117 45.100 0.215 0.000 0.879 73 G HN 2.878 nan 8.290 nan 0.000 0.646 74 G N -0.148 108.963 108.800 0.520 0.000 2.325 74 G HA2 0.727 4.687 3.960 -0.000 0.000 0.297 74 G HA3 0.727 4.687 3.960 -0.000 0.000 0.297 74 G C -2.190 172.718 174.900 0.015 0.000 1.448 74 G CA 0.493 45.761 45.100 0.280 0.000 0.838 74 G HN 0.683 nan 8.290 nan 0.000 0.579 75 P HA 0.009 nan 4.420 nan 0.000 0.219 75 P C 1.655 178.745 177.300 -0.350 0.000 1.150 75 P CA 0.764 63.757 63.100 -0.179 0.000 0.814 75 P CB 0.252 31.863 31.700 -0.150 0.000 0.787 76 K N -1.044 118.910 120.400 -0.744 0.000 2.362 76 K HA -0.144 4.176 4.320 -0.000 0.000 0.202 76 K C 0.588 176.591 176.600 -0.994 0.000 1.045 76 K CA 1.190 56.846 56.287 -1.052 0.000 0.936 76 K CB -0.141 31.368 32.500 -1.653 0.000 0.747 76 K HN 0.358 nan 8.250 nan 0.000 0.467 77 W N -1.200 120.098 121.300 -0.004 0.000 2.079 77 W HA 0.125 4.785 4.660 -0.000 0.000 0.285 77 W C 0.436 176.949 176.519 -0.010 0.000 0.891 77 W CA -0.534 56.806 57.345 -0.007 0.000 1.308 77 W CB -0.413 29.041 29.460 -0.011 0.000 1.047 77 W HN -0.016 nan 8.180 nan 0.000 0.522 78 D N 1.098 121.583 120.400 0.141 0.000 2.311 78 D HA -0.081 4.558 4.640 -0.000 0.000 0.212 78 D C 2.260 178.597 176.300 0.062 0.000 0.972 78 D CA 1.723 55.781 54.000 0.097 0.000 0.887 78 D CB -0.123 40.702 40.800 0.043 0.000 0.915 78 D HN 0.157 nan 8.370 nan 0.000 0.497 79 G N -0.972 107.858 108.800 0.050 0.000 3.277 79 G HA2 0.231 4.190 3.960 -0.000 0.000 0.243 79 G HA3 0.231 4.190 3.960 -0.000 0.000 0.243 79 G C 0.287 175.215 174.900 0.046 0.000 1.107 79 G CA -0.287 44.833 45.100 0.032 0.000 0.771 79 G HN 0.112 nan 8.290 nan 0.000 0.544 80 L N 0.662 121.934 121.223 0.081 0.000 2.421 80 L HA 0.361 4.701 4.340 -0.000 0.000 0.263 80 L C -2.074 174.827 176.870 0.052 0.000 1.122 80 L CA -1.924 52.963 54.840 0.078 0.000 0.804 80 L CB 0.684 42.819 42.059 0.126 0.000 1.150 80 L HN -0.132 nan 8.230 nan 0.000 0.457 81 P HA 0.066 nan 4.420 nan 0.000 0.265 81 P C 0.383 177.694 177.300 0.017 0.000 1.193 81 P CA -0.094 63.019 63.100 0.022 0.000 0.765 81 P CB 0.564 32.275 31.700 0.017 0.000 0.823 82 R N 3.126 123.632 120.500 0.010 0.000 2.159 82 R HA -0.287 4.053 4.340 -0.000 0.000 0.249 82 R C 1.283 177.582 176.300 -0.001 0.000 1.136 82 R CA 2.200 58.302 56.100 0.004 0.000 0.951 82 R CB -0.327 29.972 30.300 -0.002 0.000 0.876 82 R HN 0.302 nan 8.270 nan 0.000 0.440 83 K N 0.198 120.598 120.400 -0.001 0.000 2.442 83 K HA -0.133 4.187 4.320 -0.000 0.000 0.200 83 K C 1.635 178.230 176.600 -0.008 0.000 1.045 83 K CA 1.539 57.824 56.287 -0.004 0.000 0.937 83 K CB -0.211 32.287 32.500 -0.003 0.000 0.757 83 K HN 0.622 nan 8.250 nan 0.000 0.474 84 I N -2.212 118.354 120.570 -0.007 0.000 4.338 84 I HA 0.161 4.331 4.170 -0.000 0.000 0.329 84 I C -0.243 175.851 176.117 -0.038 0.000 1.378 84 I CA -0.871 60.418 61.300 -0.018 0.000 1.170 84 I CB 0.393 38.393 38.000 0.001 0.000 1.206 84 I HN -0.123 nan 8.210 nan 0.000 0.432 85 R N 1.447 121.932 120.500 -0.024 0.000 2.543 85 R HA 0.401 4.741 4.340 -0.000 0.000 0.277 85 R C -1.896 174.341 176.300 -0.106 0.000 1.074 85 R CA -0.978 55.108 56.100 -0.024 0.000 1.076 85 R CB -0.385 29.922 30.300 0.011 0.000 0.993 85 R HN -0.074 nan 8.270 nan 0.000 0.459 86 P HA -0.215 nan 4.420 nan 0.000 0.217 86 P C 0.340 177.521 177.300 -0.198 0.000 1.151 86 P CA 1.407 64.322 63.100 -0.309 0.000 0.849 86 P CB 0.153 31.616 31.700 -0.396 0.000 0.787 87 E N -1.077 119.070 120.200 -0.089 0.000 2.085 87 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 87 E C 2.005 178.585 176.600 -0.034 0.000 0.994 87 E CA 1.757 58.133 56.400 -0.039 0.000 0.801 87 E CB -1.598 28.094 29.700 -0.014 0.000 0.743 87 E HN 0.233 nan 8.360 nan 0.000 0.453 88 T N -0.035 114.494 114.554 -0.042 0.000 2.803 88 T HA -0.143 4.206 4.350 -0.000 0.000 0.269 88 T C 1.922 176.609 174.700 -0.021 0.000 1.052 88 T CA 1.259 63.346 62.100 -0.021 0.000 1.136 88 T CB -0.710 68.146 68.868 -0.019 0.000 0.864 88 T HN 0.434 nan 8.240 nan 0.000 0.467 89 G N 1.333 110.077 108.800 -0.093 0.000 2.450 89 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.220 89 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.220 89 G C 1.471 176.392 174.900 0.036 0.000 1.130 89 G CA 0.303 45.334 45.100 -0.114 0.000 0.760 89 G HN 0.408 nan 8.290 nan 0.000 0.557 90 L N 0.013 121.291 121.223 0.092 0.000 2.046 90 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 90 L C 2.912 179.792 176.870 0.016 0.000 1.077 90 L CA 1.208 56.112 54.840 0.107 0.000 0.747 90 L CB -0.298 41.806 42.059 0.075 0.000 0.896 90 L HN 0.275 nan 8.230 nan 0.000 0.432 91 L N -1.310 119.931 121.223 0.030 0.000 2.093 91 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 91 L C 2.575 179.454 176.870 0.015 0.000 1.085 91 L CA 0.998 55.855 54.840 0.029 0.000 0.755 91 L CB -0.693 41.389 42.059 0.039 0.000 0.904 91 L HN 0.144 nan 8.230 nan 0.000 0.435 92 S N 0.199 115.929 115.700 0.050 0.000 2.368 92 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 92 S C 1.959 176.648 174.600 0.149 0.000 1.029 92 S CA 1.027 59.313 58.200 0.143 0.000 0.988 92 S CB -0.289 63.099 63.200 0.313 0.000 0.838 92 S HN 0.325 nan 8.310 nan 0.000 0.462 93 L N 0.908 122.072 121.223 -0.100 0.000 2.017 93 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 93 L C 2.585 179.383 176.870 -0.120 0.000 1.073 93 L CA 1.539 56.182 54.840 -0.330 0.000 0.745 93 L CB -0.187 41.485 42.059 -0.645 0.000 0.894 93 L HN 0.188 nan 8.230 nan 0.000 0.432 94 R N -0.021 120.423 120.500 -0.094 0.000 2.073 94 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 94 R C 2.342 178.631 176.300 -0.018 0.000 1.134 94 R CA 1.225 57.286 56.100 -0.064 0.000 0.952 94 R CB -0.292 29.990 30.300 -0.031 0.000 0.850 94 R HN 0.106 nan 8.270 nan 0.000 0.433 95 K N -0.022 120.380 120.400 0.003 0.000 2.025 95 K HA -0.055 4.264 4.320 -0.000 0.000 0.207 95 K C 2.034 178.655 176.600 0.035 0.000 1.049 95 K CA 1.716 58.010 56.287 0.012 0.000 0.933 95 K CB -0.659 31.833 32.500 -0.013 0.000 0.714 95 K HN 0.207 nan 8.250 nan 0.000 0.438 96 S N 0.878 116.623 115.700 0.074 0.000 2.423 96 S HA -0.178 4.292 4.470 -0.000 0.000 0.238 96 S C 1.260 175.893 174.600 0.054 0.000 1.028 96 S CA 1.328 59.584 58.200 0.094 0.000 1.000 96 S CB 0.027 63.362 63.200 0.224 0.000 0.797 96 S HN 0.302 nan 8.310 nan 0.000 0.487 97 Q N 0.318 120.134 119.800 0.027 0.000 2.159 97 Q HA 0.216 4.556 4.340 -0.000 0.000 0.217 97 Q C -0.281 175.725 176.000 0.010 0.000 0.818 97 Q CA 0.311 56.115 55.803 0.003 0.000 1.008 97 Q CB 0.051 28.766 28.738 -0.038 0.000 1.148 97 Q HN 0.663 nan 8.270 nan 0.000 0.491 98 D N 1.006 121.432 120.400 0.044 0.000 2.812 98 D HA -0.183 4.457 4.640 -0.000 0.000 0.237 98 D C -1.238 175.116 176.300 0.090 0.000 1.162 98 D CA 0.413 54.487 54.000 0.124 0.000 0.740 98 D CB -1.062 39.835 40.800 0.162 0.000 1.000 98 D HN 0.246 nan 8.370 nan 0.000 0.416 99 L N 1.608 122.814 121.223 -0.028 0.000 2.272 99 L HA 0.442 4.782 4.340 -0.000 0.000 0.289 99 L C 1.027 177.814 176.870 -0.139 0.000 1.032 99 L CA -0.841 53.851 54.840 -0.246 0.000 0.810 99 L CB 0.762 42.696 42.059 -0.208 0.000 1.205 99 L HN 0.254 nan 8.230 nan 0.000 0.422 100 F N 0.654 120.598 119.950 -0.010 0.000 2.856 100 F HA 0.630 5.157 4.527 -0.000 0.000 0.338 100 F C 0.315 176.136 175.800 0.034 0.000 1.100 100 F CA -0.773 57.245 58.000 0.031 0.000 1.150 100 F CB 0.155 39.183 39.000 0.047 0.000 1.101 100 F HN 0.234 nan 8.300 nan 0.000 0.548 101 A N 1.363 124.026 122.820 -0.262 0.000 2.332 101 A HA 0.598 4.918 4.320 -0.000 0.000 0.300 101 A C -1.338 176.143 177.584 -0.173 0.000 1.153 101 A CA -0.541 51.420 52.037 -0.126 0.000 0.764 101 A CB 0.514 19.426 19.000 -0.147 0.000 1.174 101 A HN 0.169 nan 8.150 nan 0.000 0.467 102 N N 2.042 120.683 118.700 -0.099 0.000 2.462 102 N HA 0.442 5.182 4.740 -0.000 0.000 0.242 102 N C -1.239 174.197 175.510 -0.122 0.000 1.010 102 N CA -0.283 52.695 53.050 -0.119 0.000 0.939 102 N CB 0.538 38.988 38.487 -0.063 0.000 1.127 102 N HN 0.478 nan 8.380 nan 0.000 0.509 103 L N 3.296 124.416 121.223 -0.172 0.000 2.283 103 L HA 0.374 4.713 4.340 -0.000 0.000 0.287 103 L C 0.267 177.074 176.870 -0.106 0.000 1.073 103 L CA -0.021 54.723 54.840 -0.160 0.000 0.822 103 L CB 0.334 42.240 42.059 -0.255 0.000 1.186 103 L HN 0.386 nan 8.230 nan 0.000 0.436 104 R N 5.919 126.375 120.500 -0.073 0.000 2.312 104 R HA 0.448 4.788 4.340 -0.000 0.000 0.310 104 R C -2.486 173.797 176.300 -0.028 0.000 1.064 104 R CA -1.614 54.461 56.100 -0.042 0.000 0.983 104 R CB 1.003 31.280 30.300 -0.038 0.000 1.139 104 R HN 0.296 nan 8.270 nan 0.000 0.536 105 P HA 0.258 nan 4.420 nan 0.000 0.278 105 P C -1.342 175.955 177.300 -0.005 0.000 1.238 105 P CA -0.497 62.604 63.100 0.002 0.000 0.794 105 P CB 1.863 33.584 31.700 0.036 0.000 0.955 106 A N 2.691 125.496 122.820 -0.025 0.000 2.679 106 A HA 0.508 4.828 4.320 -0.000 0.000 0.288 106 A C -0.411 177.120 177.584 -0.088 0.000 1.160 106 A CA -0.584 51.428 52.037 -0.041 0.000 0.763 106 A CB 0.589 19.576 19.000 -0.023 0.000 1.270 106 A HN 0.580 nan 8.150 nan 0.000 0.417 107 K N 1.585 121.875 120.400 -0.182 0.000 2.397 107 K HA 0.691 5.011 4.320 -0.000 0.000 0.253 107 K C -1.718 174.613 176.600 -0.448 0.000 0.932 107 K CA -0.601 55.502 56.287 -0.308 0.000 0.795 107 K CB 2.309 34.571 32.500 -0.397 0.000 1.159 107 K HN 0.206 nan 8.250 nan 0.000 0.424 108 V N 5.241 124.977 119.914 -0.295 0.000 2.368 108 V HA 0.257 4.377 4.120 -0.000 0.000 0.266 108 V C -0.560 175.397 176.094 -0.228 0.000 1.045 108 V CA -0.465 61.714 62.300 -0.202 0.000 0.899 108 V CB -0.246 31.534 31.823 -0.071 0.000 1.006 108 V HN 0.607 nan 8.190 nan 0.000 0.470 109 F N 7.837 127.806 119.950 0.032 0.000 2.518 109 F HA 0.287 4.814 4.527 -0.000 0.000 0.359 109 F C -1.426 174.389 175.800 0.024 0.000 1.118 109 F CA -2.282 55.736 58.000 0.030 0.000 1.287 109 F CB 0.088 39.109 39.000 0.035 0.000 1.132 109 F HN 0.341 nan 8.300 nan 0.000 0.587 110 P HA 0.077 nan 4.420 nan 0.000 0.262 110 P C 0.714 178.081 177.300 0.112 0.000 1.182 110 P CA 1.002 64.173 63.100 0.118 0.000 0.761 110 P CB 0.603 32.361 31.700 0.098 0.000 0.795 111 G N 2.892 111.739 108.800 0.078 0.000 2.213 111 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.236 111 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.236 111 G C 0.475 175.418 174.900 0.072 0.000 0.991 111 G CA -0.236 44.903 45.100 0.065 0.000 0.629 111 G HN 0.499 nan 8.290 nan 0.000 0.517 112 L N 0.724 122.005 121.223 0.098 0.000 2.769 112 L HA 0.307 4.647 4.340 -0.000 0.000 0.240 112 L C 2.008 178.919 176.870 0.069 0.000 1.163 112 L CA 0.769 55.668 54.840 0.098 0.000 0.962 112 L CB 0.166 42.321 42.059 0.161 0.000 1.258 112 L HN 0.226 nan 8.230 nan 0.000 0.513 113 E N 0.654 120.884 120.200 0.051 0.000 2.160 113 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 113 E C 2.098 178.715 176.600 0.028 0.000 0.991 113 E CA 0.967 57.386 56.400 0.032 0.000 0.810 113 E CB -0.134 29.580 29.700 0.024 0.000 0.742 113 E HN 0.365 nan 8.360 nan 0.000 0.466 114 R N 0.504 121.023 120.500 0.030 0.000 2.323 114 R HA -0.011 4.329 4.340 -0.000 0.000 0.198 114 R C 1.542 177.858 176.300 0.027 0.000 0.988 114 R CA 0.473 56.588 56.100 0.025 0.000 1.041 114 R CB -0.100 30.215 30.300 0.024 0.000 0.926 114 R HN 0.216 nan 8.270 nan 0.000 0.476 115 L N 0.571 121.815 121.223 0.035 0.000 2.509 115 L HA 0.176 4.516 4.340 -0.000 0.000 0.222 115 L C 0.547 177.434 176.870 0.029 0.000 1.123 115 L CA 0.343 55.204 54.840 0.036 0.000 0.856 115 L CB 0.452 42.542 42.059 0.052 0.000 0.985 115 L HN 0.174 nan 8.230 nan 0.000 0.456 116 S N -0.557 115.158 115.700 0.025 0.000 2.616 116 S HA 0.378 4.848 4.470 -0.000 0.000 0.277 116 S C -1.580 173.028 174.600 0.014 0.000 1.234 116 S CA -1.142 57.069 58.200 0.018 0.000 1.028 116 S CB 0.851 64.060 63.200 0.014 0.000 0.988 116 S HN 0.127 nan 8.310 nan 0.000 0.522 117 P HA 0.177 nan 4.420 nan 0.000 0.245 117 P C -0.295 177.010 177.300 0.008 0.000 1.212 117 P CA 0.169 63.275 63.100 0.009 0.000 0.774 117 P CB 0.045 31.749 31.700 0.007 0.000 0.999 118 L N 0.644 121.872 121.223 0.008 0.000 2.325 118 L HA 0.288 4.628 4.340 -0.000 0.000 0.279 118 L C 0.967 177.841 176.870 0.006 0.000 1.054 118 L CA -0.919 53.925 54.840 0.007 0.000 0.804 118 L CB 0.764 42.827 42.059 0.007 0.000 1.200 118 L HN -0.097 nan 8.230 nan 0.000 0.436 119 K N 2.094 122.497 120.400 0.004 0.000 2.530 119 K HA -0.130 4.190 4.320 -0.000 0.000 0.280 119 K C 1.084 177.686 176.600 0.003 0.000 1.004 119 K CA 0.212 56.501 56.287 0.004 0.000 1.071 119 K CB 0.699 33.200 32.500 0.002 0.000 0.876 119 K HN 0.551 nan 8.250 nan 0.000 0.487 120 E N 2.211 122.414 120.200 0.005 0.000 2.236 120 E HA -0.288 4.062 4.350 -0.000 0.000 0.205 120 E C 1.343 177.944 176.600 0.002 0.000 1.028 120 E CA 1.745 58.148 56.400 0.006 0.000 0.827 120 E CB 0.165 29.870 29.700 0.008 0.000 0.735 120 E HN 0.509 nan 8.360 nan 0.000 0.470 121 E N -0.270 119.929 120.200 -0.002 0.000 2.107 121 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 121 E C 2.125 178.718 176.600 -0.012 0.000 0.982 121 E CA 1.113 57.508 56.400 -0.007 0.000 0.809 121 E CB 0.003 29.698 29.700 -0.008 0.000 0.756 121 E HN 0.467 nan 8.360 nan 0.000 0.459 122 I N -2.162 118.403 120.570 -0.010 0.000 2.585 122 I HA 0.108 4.277 4.170 -0.000 0.000 0.254 122 I C 2.062 178.172 176.117 -0.011 0.000 1.129 122 I CA 1.007 62.299 61.300 -0.013 0.000 1.455 122 I CB 0.095 38.091 38.000 -0.008 0.000 1.111 122 I HN -0.054 nan 8.210 nan 0.000 0.433 123 A N 1.088 123.904 122.820 -0.005 0.000 2.168 123 A HA 0.049 4.369 4.320 -0.000 0.000 0.215 123 A C 1.553 179.131 177.584 -0.010 0.000 1.152 123 A CA 0.193 52.227 52.037 -0.006 0.000 0.716 123 A CB -0.595 18.405 19.000 0.001 0.000 0.794 123 A HN 0.469 nan 8.150 nan 0.000 0.465 124 R N -0.776 119.718 120.500 -0.009 0.000 2.389 124 R HA 0.367 4.707 4.340 -0.000 0.000 0.295 124 R C 1.233 177.522 176.300 -0.018 0.000 1.075 124 R CA 0.905 57.000 56.100 -0.009 0.000 1.005 124 R CB 0.152 30.449 30.300 -0.005 0.000 0.987 124 R HN 0.589 nan 8.270 nan 0.000 0.452 125 G N 2.079 110.868 108.800 -0.019 0.000 2.179 125 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 125 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 125 G C 0.099 174.979 174.900 -0.034 0.000 0.977 125 G CA 0.093 45.178 45.100 -0.024 0.000 0.641 125 G HN 0.510 nan 8.290 nan 0.000 0.533 126 V N 1.562 121.453 119.914 -0.039 0.000 2.493 126 V HA 0.429 4.549 4.120 -0.000 0.000 0.292 126 V C 0.287 176.343 176.094 -0.062 0.000 1.016 126 V CA 1.152 63.430 62.300 -0.036 0.000 1.097 126 V CB 1.427 33.232 31.823 -0.031 0.000 0.947 126 V HN 0.422 nan 8.190 nan 0.000 0.479 127 D N 4.338 124.720 120.400 -0.031 0.000 2.527 127 D HA 0.217 4.857 4.640 -0.000 0.000 0.242 127 D C -0.964 175.341 176.300 0.009 0.000 1.285 127 D CA -0.176 53.800 54.000 -0.041 0.000 0.886 127 D CB 1.509 42.287 40.800 -0.038 0.000 1.402 127 D HN 0.361 nan 8.370 nan 0.000 0.528 128 V N 2.726 122.648 119.914 0.013 0.000 2.732 128 V HA 0.742 4.862 4.120 -0.000 0.000 0.310 128 V C -1.468 174.627 176.094 0.002 0.000 1.053 128 V CA -0.723 61.599 62.300 0.036 0.000 0.957 128 V CB 1.830 33.691 31.823 0.064 0.000 1.018 128 V HN 0.352 nan 8.190 nan 0.000 0.452 129 L N 7.084 128.300 121.223 -0.011 0.000 2.388 129 L HA 0.592 4.932 4.340 -0.000 0.000 0.267 129 L C -0.546 176.284 176.870 -0.067 0.000 0.995 129 L CA -0.101 54.719 54.840 -0.033 0.000 0.864 129 L CB 0.997 43.042 42.059 -0.024 0.000 1.216 129 L HN 0.640 nan 8.230 nan 0.000 0.430 130 I N 5.822 126.351 120.570 -0.069 0.000 2.294 130 I HA 0.203 4.373 4.170 -0.000 0.000 0.295 130 I C -0.267 175.799 176.117 -0.085 0.000 1.098 130 I CA -0.488 60.758 61.300 -0.089 0.000 1.277 130 I CB 1.006 38.957 38.000 -0.081 0.000 1.434 130 I HN 0.229 nan 8.210 nan 0.000 0.498 131 V N 7.427 127.287 119.914 -0.090 0.000 2.368 131 V HA 0.287 4.407 4.120 -0.000 0.000 0.266 131 V C 0.324 176.399 176.094 -0.031 0.000 1.045 131 V CA -0.507 61.752 62.300 -0.068 0.000 0.899 131 V CB 0.763 32.545 31.823 -0.070 0.000 1.006 131 V HN 0.733 nan 8.190 nan 0.000 0.470 132 R N 3.830 124.318 120.500 -0.021 0.000 2.562 132 R HA 0.456 4.796 4.340 -0.000 0.000 0.298 132 R C -0.120 176.225 176.300 0.075 0.000 0.961 132 R CA -0.593 55.508 56.100 0.001 0.000 0.881 132 R CB 1.374 31.651 30.300 -0.037 0.000 1.159 132 R HN 0.579 nan 8.270 nan 0.000 0.450 133 E N 3.953 124.244 120.200 0.151 0.000 2.417 133 E HA -0.041 4.309 4.350 -0.000 0.000 0.261 133 E C -0.095 176.621 176.600 0.194 0.000 1.000 133 E CA 0.329 56.899 56.400 0.283 0.000 0.919 133 E CB 0.915 30.918 29.700 0.505 0.000 0.955 133 E HN 0.758 nan 8.360 nan 0.000 0.455 134 L N 3.055 124.410 121.223 0.220 0.000 2.408 134 L HA -0.019 4.321 4.340 -0.000 0.000 0.215 134 L C 1.942 178.999 176.870 0.311 0.000 1.081 134 L CA 1.130 56.091 54.840 0.201 0.000 0.840 134 L CB 0.295 42.434 42.059 0.133 0.000 1.002 134 L HN 0.545 nan 8.230 nan 0.000 0.468 135 T N -3.160 111.586 114.554 0.320 0.000 3.174 135 T HA 0.415 4.764 4.350 -0.000 0.000 0.269 135 T C 0.442 175.347 174.700 0.343 0.000 1.017 135 T CA 0.069 62.387 62.100 0.364 0.000 0.899 135 T CB 0.294 69.267 68.868 0.175 0.000 1.077 135 T HN 0.197 nan 8.240 nan 0.000 0.552 136 G N -0.604 108.320 108.800 0.206 0.000 3.183 136 G HA2 0.699 4.659 3.960 -0.000 0.000 0.247 136 G HA3 0.699 4.659 3.960 -0.000 0.000 0.247 136 G C 0.356 175.106 174.900 -0.250 0.000 1.211 136 G CA -0.240 44.781 45.100 -0.131 0.000 0.835 136 G HN 1.064 nan 8.290 nan 0.000 0.604 137 G N -0.968 107.434 108.800 -0.663 0.000 2.698 137 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.233 137 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.233 137 G C 1.001 175.825 174.900 -0.128 0.000 1.352 137 G CA 0.440 45.415 45.100 -0.209 0.000 0.879 137 G HN 1.487 nan 8.290 nan 0.000 0.567 138 I N -0.567 119.937 120.570 -0.109 0.000 2.756 138 I HA -0.015 4.154 4.170 -0.000 0.000 0.262 138 I C 2.297 178.413 176.117 -0.002 0.000 1.225 138 I CA 1.409 62.676 61.300 -0.055 0.000 1.472 138 I CB -0.163 37.797 38.000 -0.068 0.000 1.094 138 I HN 0.546 nan 8.210 nan 0.000 0.454 139 Y N -0.001 120.120 120.300 -0.297 0.000 2.224 139 Y HA -0.188 4.362 4.550 -0.000 0.000 0.289 139 Y C 1.823 177.377 175.900 -0.577 0.000 1.146 139 Y CA 1.521 59.301 58.100 -0.532 0.000 1.182 139 Y CB -0.525 37.428 38.460 -0.845 0.000 0.983 139 Y HN 0.226 nan 8.280 nan 0.000 0.524 140 F N -1.757 118.244 119.950 0.084 0.000 2.711 140 F HA 0.364 4.891 4.527 -0.000 0.000 0.296 140 F C 1.791 177.577 175.800 -0.023 0.000 1.096 140 F CA -0.360 57.645 58.000 0.007 0.000 1.280 140 F CB -0.980 38.015 39.000 -0.008 0.000 1.060 140 F HN -0.218 nan 8.300 nan 0.000 0.608 141 G N 0.965 109.838 108.800 0.123 0.000 2.670 141 G HA2 0.201 4.161 3.960 -0.000 0.000 0.233 141 G HA3 0.201 4.161 3.960 -0.000 0.000 0.233 141 G C -0.426 174.510 174.900 0.060 0.000 1.251 141 G CA -0.012 45.124 45.100 0.059 0.000 0.849 141 G HN 0.211 nan 8.290 nan 0.000 0.588 142 E N 0.836 121.068 120.200 0.054 0.000 2.299 142 E HA 0.471 4.821 4.350 -0.000 0.000 0.265 142 E C -1.882 174.772 176.600 0.090 0.000 0.911 142 E CA -1.323 55.119 56.400 0.070 0.000 0.789 142 E CB 2.113 31.848 29.700 0.059 0.000 1.246 142 E HN 0.367 nan 8.360 nan 0.000 0.427 143 P HA 0.352 nan 4.420 nan 0.000 0.293 143 P C -1.209 176.206 177.300 0.191 0.000 1.298 143 P CA -0.487 62.742 63.100 0.215 0.000 0.757 143 P CB 0.440 32.349 31.700 0.348 0.000 1.262 144 R N -2.234 118.305 120.500 0.065 0.000 3.599 144 R HA 0.658 4.998 4.340 -0.000 0.000 0.310 144 R C -0.784 175.031 176.300 -0.810 0.000 1.004 144 R CA -0.537 55.337 56.100 -0.376 0.000 1.105 144 R CB -0.181 30.015 30.300 -0.173 0.000 1.350 144 R HN 0.712 nan 8.270 nan 0.000 0.412 145 G N 1.667 109.219 108.800 -2.079 0.000 2.975 145 G HA2 0.841 4.801 3.960 -0.000 0.000 0.291 145 G HA3 0.841 4.801 3.960 -0.000 0.000 0.291 145 G C -1.225 172.642 174.900 -1.722 0.000 1.334 145 G CA -1.086 42.965 45.100 -1.748 0.000 0.843 145 G HN 0.347 nan 8.290 nan 0.000 0.548 146 M N -0.542 118.500 119.600 -0.930 0.000 2.618 146 M HA 0.653 5.133 4.480 -0.000 0.000 0.281 146 M C -0.950 175.386 176.300 0.059 0.000 1.267 146 M CA -0.609 54.498 55.300 -0.322 0.000 0.845 146 M CB 2.643 35.132 32.600 -0.186 0.000 1.732 146 M HN 0.663 nan 8.290 nan 0.000 0.461 147 S N -0.930 114.868 115.700 0.164 0.000 2.655 147 S HA 0.153 4.623 4.470 -0.000 0.000 0.266 147 S C 0.185 174.853 174.600 0.113 0.000 1.149 147 S CA -0.851 57.458 58.200 0.181 0.000 0.818 147 S CB 1.416 64.783 63.200 0.277 0.000 1.130 147 S HN 0.804 nan 8.310 nan 0.000 0.476 148 E N 1.089 121.340 120.200 0.085 0.000 2.072 148 E HA -0.098 4.251 4.350 -0.000 0.000 0.191 148 E C 1.568 178.205 176.600 0.062 0.000 0.985 148 E CA 1.577 58.012 56.400 0.058 0.000 0.801 148 E CB -0.263 29.462 29.700 0.043 0.000 0.750 148 E HN 0.659 nan 8.360 nan 0.000 0.452 149 A N 0.464 123.328 122.820 0.073 0.000 2.147 149 A HA 0.061 4.380 4.320 -0.000 0.000 0.211 149 A C 0.316 177.953 177.584 0.089 0.000 1.160 149 A CA 0.799 52.875 52.037 0.064 0.000 0.781 149 A CB 0.059 19.084 19.000 0.042 0.000 0.842 149 A HN 0.404 nan 8.150 nan 0.000 0.475 150 E N -2.938 117.354 120.200 0.154 0.000 2.409 150 E HA 0.688 5.038 4.350 -0.000 0.000 0.280 150 E C -0.818 176.021 176.600 0.399 0.000 1.079 150 E CA -0.505 56.023 56.400 0.215 0.000 0.840 150 E CB 0.832 30.630 29.700 0.163 0.000 1.309 150 E HN 0.442 nan 8.360 nan 0.000 0.447 151 A N 0.554 123.601 122.820 0.379 0.000 2.479 151 A HA 0.949 5.269 4.320 -0.000 0.000 0.296 151 A C -1.833 176.055 177.584 0.507 0.000 1.121 151 A CA -0.712 51.503 52.037 0.296 0.000 0.743 151 A CB 0.885 19.895 19.000 0.017 0.000 1.323 151 A HN 0.856 nan 8.150 nan 0.000 0.415 152 W N -0.003 121.299 121.300 0.004 0.000 3.248 152 W HA 0.750 5.410 4.660 -0.000 0.000 0.311 152 W C -1.371 175.151 176.519 0.005 0.000 1.258 152 W CA -0.557 56.791 57.345 0.005 0.000 1.191 152 W CB 1.180 30.643 29.460 0.005 0.000 1.389 152 W HN 0.625 nan 8.180 nan 0.000 0.561 153 N N 0.525 119.298 118.700 0.122 0.000 2.396 153 N HA 0.527 5.267 4.740 -0.000 0.000 0.275 153 N C -1.740 173.822 175.510 0.087 0.000 1.218 153 N CA -0.685 52.384 53.050 0.032 0.000 0.812 153 N CB 2.897 41.381 38.487 -0.006 0.000 1.592 153 N HN 0.437 nan 8.380 nan 0.000 0.480 154 T N 0.704 115.296 114.554 0.063 0.000 2.809 154 T HA 0.185 4.534 4.350 -0.000 0.000 0.284 154 T C -0.553 174.160 174.700 0.023 0.000 0.992 154 T CA -0.470 61.665 62.100 0.060 0.000 0.957 154 T CB 1.493 70.406 68.868 0.075 0.000 0.942 154 T HN 0.397 nan 8.240 nan 0.000 0.439 155 E N 3.453 123.662 120.200 0.015 0.000 2.081 155 E HA 0.414 4.764 4.350 -0.000 0.000 0.281 155 E C -0.243 176.367 176.600 0.017 0.000 0.986 155 E CA -0.704 55.697 56.400 0.001 0.000 0.796 155 E CB 0.675 30.365 29.700 -0.017 0.000 1.085 155 E HN 0.531 nan 8.360 nan 0.000 0.398 156 R N 4.246 124.737 120.500 -0.016 0.000 2.621 156 R HA 0.341 4.681 4.340 -0.000 0.000 0.284 156 R C -1.985 174.242 176.300 -0.122 0.000 0.998 156 R CA -0.534 55.537 56.100 -0.048 0.000 0.895 156 R CB 1.112 31.371 30.300 -0.068 0.000 1.195 156 R HN 0.437 nan 8.270 nan 0.000 0.450 157 Y N 0.843 121.023 120.300 -0.199 0.000 2.512 157 Y HA 0.395 4.945 4.550 -0.000 0.000 0.348 157 Y C -0.480 175.177 175.900 -0.406 0.000 0.990 157 Y CA -0.249 57.734 58.100 -0.194 0.000 1.033 157 Y CB 2.775 41.198 38.460 -0.062 0.000 1.259 157 Y HN 0.766 nan 8.280 nan 0.000 0.461 158 S N 3.311 118.973 115.700 -0.063 0.000 2.482 158 S HA 0.346 4.816 4.470 -0.000 0.000 0.303 158 S C 0.728 175.429 174.600 0.169 0.000 1.091 158 S CA -0.832 57.341 58.200 -0.045 0.000 1.057 158 S CB 1.840 65.018 63.200 -0.036 0.000 1.031 158 S HN 0.769 nan 8.310 nan 0.000 0.485 159 K N 2.008 122.626 120.400 0.363 0.000 2.107 159 K HA -0.117 4.203 4.320 -0.000 0.000 0.211 159 K C -1.046 175.615 176.600 0.101 0.000 1.049 159 K CA 2.201 58.680 56.287 0.319 0.000 0.927 159 K CB -1.571 31.059 32.500 0.218 0.000 0.714 159 K HN 0.556 nan 8.250 nan 0.000 0.452 160 P HA -0.074 nan 4.420 nan 0.000 0.219 160 P C 0.990 178.247 177.300 -0.071 0.000 1.150 160 P CA 1.134 64.217 63.100 -0.029 0.000 0.814 160 P CB 0.058 31.735 31.700 -0.039 0.000 0.787 161 E N -0.405 119.784 120.200 -0.017 0.000 2.007 161 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 161 E C 1.935 178.545 176.600 0.016 0.000 0.999 161 E CA 1.245 57.644 56.400 -0.002 0.000 0.811 161 E CB -0.648 29.099 29.700 0.078 0.000 0.762 161 E HN -0.065 nan 8.360 nan 0.000 0.450 162 V N 1.162 121.094 119.914 0.031 0.000 2.568 162 V HA -0.249 3.871 4.120 -0.000 0.000 0.253 162 V C 2.089 178.030 176.094 -0.256 0.000 1.072 162 V CA 1.782 63.899 62.300 -0.304 0.000 1.084 162 V CB -0.467 31.037 31.823 -0.532 0.000 0.676 162 V HN 0.258 nan 8.190 nan 0.000 0.469 163 E N 0.438 120.559 120.200 -0.133 0.000 2.072 163 E HA -0.195 4.155 4.350 -0.000 0.000 0.190 163 E C 2.474 179.043 176.600 -0.051 0.000 0.982 163 E CA 1.098 57.444 56.400 -0.091 0.000 0.803 163 E CB -0.019 29.640 29.700 -0.067 0.000 0.755 163 E HN 0.717 nan 8.360 nan 0.000 0.453 164 R N 0.174 120.600 120.500 -0.122 0.000 2.115 164 R HA -0.074 4.265 4.340 -0.000 0.000 0.226 164 R C 2.316 178.679 176.300 0.105 0.000 1.100 164 R CA 1.412 57.435 56.100 -0.128 0.000 0.980 164 R CB -0.804 29.145 30.300 -0.586 0.000 0.875 164 R HN 0.147 nan 8.270 nan 0.000 0.445 165 V N -0.510 119.474 119.914 0.116 0.000 2.307 165 V HA 0.011 4.131 4.120 -0.000 0.000 0.245 165 V C 2.609 178.802 176.094 0.165 0.000 1.045 165 V CA 1.427 63.895 62.300 0.281 0.000 1.024 165 V CB -1.029 30.981 31.823 0.312 0.000 0.651 165 V HN 0.339 nan 8.190 nan 0.000 0.449 166 A N 0.104 122.978 122.820 0.090 0.000 1.972 166 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 166 A C 2.469 180.190 177.584 0.229 0.000 1.169 166 A CA 1.931 54.038 52.037 0.117 0.000 0.635 166 A CB -0.649 18.410 19.000 0.098 0.000 0.810 166 A HN 0.541 nan 8.150 nan 0.000 0.446 167 R N -0.552 120.066 120.500 0.196 0.000 2.070 167 R HA -0.118 4.221 4.340 -0.000 0.000 0.233 167 R C 2.098 178.470 176.300 0.121 0.000 1.137 167 R CA 1.810 58.036 56.100 0.211 0.000 0.945 167 R CB -0.574 29.842 30.300 0.193 0.000 0.845 167 R HN 0.375 nan 8.270 nan 0.000 0.430 168 V N 1.047 121.043 119.914 0.136 0.000 2.282 168 V HA -0.318 3.802 4.120 -0.000 0.000 0.249 168 V C 2.480 178.556 176.094 -0.031 0.000 1.057 168 V CA 2.056 64.400 62.300 0.073 0.000 1.032 168 V CB -0.940 30.940 31.823 0.094 0.000 0.645 168 V HN 0.499 nan 8.190 nan 0.000 0.447 169 A N -0.338 122.436 122.820 -0.077 0.000 1.892 169 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 169 A C 2.037 179.388 177.584 -0.388 0.000 1.188 169 A CA 2.214 54.106 52.037 -0.241 0.000 0.631 169 A CB -0.786 18.018 19.000 -0.327 0.000 0.822 169 A HN 0.486 nan 8.150 nan 0.000 0.447 170 F N -0.372 119.377 119.950 -0.336 0.000 2.186 170 F HA -0.066 4.461 4.527 -0.000 0.000 0.299 170 F C 2.505 178.012 175.800 -0.488 0.000 1.090 170 F CA 1.458 59.117 58.000 -0.568 0.000 1.307 170 F CB -0.134 38.085 39.000 -1.302 0.000 1.019 170 F HN 0.177 nan 8.300 nan 0.000 0.489 171 E N 0.313 120.387 120.200 -0.211 0.000 2.072 171 E HA -0.133 4.216 4.350 -0.000 0.000 0.191 171 E C 2.279 178.881 176.600 0.003 0.000 0.985 171 E CA 0.701 57.080 56.400 -0.035 0.000 0.801 171 E CB -0.441 29.290 29.700 0.051 0.000 0.750 171 E HN 0.167 nan 8.360 nan 0.000 0.452 172 L N 0.748 121.958 121.223 -0.021 0.000 2.046 172 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 172 L C 2.363 179.234 176.870 0.002 0.000 1.077 172 L CA 1.867 56.718 54.840 0.018 0.000 0.747 172 L CB -1.539 40.511 42.059 -0.014 0.000 0.896 172 L HN 0.075 nan 8.230 nan 0.000 0.432 173 A N -0.766 122.018 122.820 -0.060 0.000 1.883 173 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 173 A C 2.346 179.944 177.584 0.022 0.000 1.186 173 A CA 1.470 53.481 52.037 -0.043 0.000 0.624 173 A CB -0.511 18.422 19.000 -0.112 0.000 0.822 173 A HN 0.353 nan 8.150 nan 0.000 0.444 174 R N -0.189 120.336 120.500 0.042 0.000 2.174 174 R HA -0.186 4.153 4.340 -0.000 0.000 0.253 174 R C 1.679 178.018 176.300 0.065 0.000 1.165 174 R CA 1.888 58.035 56.100 0.079 0.000 0.984 174 R CB -0.331 30.034 30.300 0.108 0.000 0.873 174 R HN 0.599 nan 8.270 nan 0.000 0.456 175 K N -0.517 119.916 120.400 0.055 0.000 2.379 175 K HA 0.054 4.374 4.320 -0.000 0.000 0.194 175 K C 1.277 177.903 176.600 0.045 0.000 1.031 175 K CA 0.281 56.597 56.287 0.049 0.000 1.037 175 K CB 0.424 32.952 32.500 0.046 0.000 0.824 175 K HN 0.091 nan 8.250 nan 0.000 0.516 176 R N 0.255 120.783 120.500 0.047 0.000 2.424 176 R HA 0.275 4.614 4.340 -0.000 0.000 0.166 176 R C 0.846 177.176 176.300 0.050 0.000 1.347 176 R CA -0.537 55.591 56.100 0.047 0.000 1.274 176 R CB 0.091 30.418 30.300 0.046 0.000 1.949 176 R HN -0.216 nan 8.270 nan 0.000 0.537 177 R N 0.953 121.488 120.500 0.058 0.000 2.363 177 R HA 0.118 4.458 4.340 -0.000 0.000 0.236 177 R C -0.367 175.986 176.300 0.088 0.000 0.966 177 R CA 0.201 56.341 56.100 0.066 0.000 1.100 177 R CB -0.269 30.071 30.300 0.067 0.000 1.125 177 R HN 0.362 nan 8.270 nan 0.000 0.514 178 K N -0.064 120.386 120.400 0.083 0.000 3.069 178 K HA -0.262 4.058 4.320 -0.000 0.000 0.267 178 K C -0.874 175.814 176.600 0.148 0.000 1.082 178 K CA 1.042 57.389 56.287 0.100 0.000 0.782 178 K CB -1.362 31.197 32.500 0.099 0.000 1.230 178 K HN 0.496 nan 8.250 nan 0.000 0.488 179 H N -1.838 117.240 119.070 0.013 0.000 2.759 179 H HA 0.645 5.201 4.556 -0.000 0.000 0.354 179 H C -1.328 173.972 175.328 -0.046 0.000 1.074 179 H CA -0.785 55.269 56.048 0.010 0.000 1.226 179 H CB 1.505 31.288 29.762 0.035 0.000 1.648 179 H HN -0.080 nan 8.280 nan 0.000 0.529 180 V N 5.294 124.762 119.914 -0.744 0.000 2.769 180 V HA 0.501 4.621 4.120 -0.000 0.000 0.312 180 V C -0.869 174.772 176.094 -0.754 0.000 1.061 180 V CA -0.786 61.086 62.300 -0.714 0.000 0.931 180 V CB 2.244 33.647 31.823 -0.699 0.000 1.010 180 V HN 0.694 nan 8.190 nan 0.000 0.433 181 V N 3.135 122.727 119.914 -0.537 0.000 2.385 181 V HA 0.302 4.422 4.120 -0.000 0.000 0.277 181 V C 0.121 176.025 176.094 -0.315 0.000 1.012 181 V CA -0.407 61.668 62.300 -0.376 0.000 0.832 181 V CB 1.594 33.217 31.823 -0.334 0.000 1.028 181 V HN 0.853 nan 8.190 nan 0.000 0.436 182 S N 4.295 119.808 115.700 -0.312 0.000 2.488 182 S HA 0.458 4.928 4.470 -0.000 0.000 0.278 182 S C -0.239 174.298 174.600 -0.105 0.000 1.259 182 S CA -0.159 57.958 58.200 -0.138 0.000 1.061 182 S CB 0.590 63.726 63.200 -0.106 0.000 0.910 182 S HN 0.471 nan 8.310 nan 0.000 0.491 183 V N 5.757 125.583 119.914 -0.147 0.000 2.547 183 V HA 0.637 4.756 4.120 -0.000 0.000 0.299 183 V C -0.197 175.757 176.094 -0.232 0.000 1.040 183 V CA -0.421 61.768 62.300 -0.186 0.000 0.913 183 V CB 1.693 33.376 31.823 -0.232 0.000 0.992 183 V HN 1.084 nan 8.190 nan 0.000 0.449 184 D N 3.134 123.482 120.400 -0.088 0.000 2.970 184 D HA 0.442 5.081 4.640 -0.000 0.000 0.344 184 D C -0.789 175.646 176.300 0.224 0.000 1.365 184 D CA -0.749 53.267 54.000 0.028 0.000 0.910 184 D CB 1.114 41.947 40.800 0.055 0.000 1.445 184 D HN 0.210 nan 8.370 nan 0.000 0.532 185 K N -0.858 119.741 120.400 0.332 0.000 3.278 185 K HA 0.641 4.960 4.320 -0.000 0.000 0.200 185 K C 0.471 177.252 176.600 0.301 0.000 1.107 185 K CA 0.093 56.586 56.287 0.343 0.000 0.923 185 K CB 0.265 32.948 32.500 0.306 0.000 0.787 185 K HN 0.523 nan 8.250 nan 0.000 0.481 186 A N 0.830 123.907 122.820 0.427 0.000 1.986 186 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 186 A C 1.461 179.197 177.584 0.254 0.000 1.171 186 A CA 2.032 54.275 52.037 0.345 0.000 0.640 186 A CB -0.699 18.501 19.000 0.333 0.000 0.811 186 A HN 0.645 nan 8.150 nan 0.000 0.451 187 N N -0.584 118.223 118.700 0.178 0.000 2.609 187 N HA -0.011 4.729 4.740 -0.000 0.000 0.190 187 N C 0.642 176.091 175.510 -0.103 0.000 1.157 187 N CA 1.402 54.380 53.050 -0.121 0.000 0.918 187 N CB 0.236 38.313 38.487 -0.683 0.000 0.978 187 N HN 0.535 nan 8.380 nan 0.000 0.448 188 V N -1.897 117.997 119.914 -0.033 0.000 3.523 188 V HA 0.405 4.525 4.120 -0.000 0.000 0.273 188 V C -0.947 175.170 176.094 0.038 0.000 1.675 188 V CA -0.237 62.055 62.300 -0.013 0.000 1.079 188 V CB 0.058 31.854 31.823 -0.045 0.000 0.901 188 V HN 0.102 nan 8.190 nan 0.000 0.406 189 L N 0.519 121.788 121.223 0.077 0.000 2.431 189 L HA 0.582 4.922 4.340 -0.000 0.000 0.266 189 L C 0.963 177.904 176.870 0.119 0.000 0.978 189 L CA -0.597 54.298 54.840 0.092 0.000 0.822 189 L CB 2.290 44.410 42.059 0.101 0.000 1.310 189 L HN -0.029 nan 8.230 nan 0.000 0.409 190 E N 1.338 121.603 120.200 0.108 0.000 2.070 190 E HA -0.186 4.163 4.350 -0.000 0.000 0.197 190 E C 1.823 178.539 176.600 0.193 0.000 1.004 190 E CA 1.269 57.750 56.400 0.134 0.000 0.805 190 E CB -0.059 29.705 29.700 0.107 0.000 0.744 190 E HN 0.505 nan 8.360 nan 0.000 0.451 191 V N 0.426 120.438 119.914 0.163 0.000 2.392 191 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 191 V C 2.204 178.468 176.094 0.284 0.000 1.059 191 V CA 2.003 64.423 62.300 0.200 0.000 1.051 191 V CB -1.197 30.702 31.823 0.128 0.000 0.658 191 V HN 0.444 nan 8.190 nan 0.000 0.455 192 G N -0.327 108.611 108.800 0.230 0.000 2.433 192 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 192 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 192 G C 1.416 176.496 174.900 0.301 0.000 1.186 192 G CA 0.860 46.120 45.100 0.268 0.000 0.779 192 G HN 0.574 nan 8.290 nan 0.000 0.543 193 E N -0.296 120.049 120.200 0.243 0.000 2.070 193 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 193 E C 2.131 178.846 176.600 0.191 0.000 1.004 193 E CA 1.106 57.619 56.400 0.187 0.000 0.805 193 E CB -0.321 29.469 29.700 0.151 0.000 0.744 193 E HN 0.487 nan 8.360 nan 0.000 0.451 194 F N 0.977 120.996 119.950 0.115 0.000 2.134 194 F HA -0.220 4.307 4.527 -0.000 0.000 0.299 194 F C 2.213 178.057 175.800 0.072 0.000 1.097 194 F CA 1.346 59.398 58.000 0.086 0.000 1.264 194 F CB -0.060 38.999 39.000 0.099 0.000 1.001 194 F HN 0.159 nan 8.300 nan 0.000 0.479 195 W N 1.742 123.205 121.300 0.272 0.000 2.355 195 W HA -0.194 4.466 4.660 -0.000 0.000 0.309 195 W C 2.487 179.051 176.519 0.075 0.000 1.206 195 W CA 1.947 59.371 57.345 0.132 0.000 1.284 195 W CB -0.808 28.657 29.460 0.007 0.000 1.145 195 W HN 0.048 nan 8.180 nan 0.000 0.502 196 R N 0.689 121.378 120.500 0.315 0.000 2.082 196 R HA -0.225 4.115 4.340 -0.000 0.000 0.234 196 R C 2.414 178.732 176.300 0.029 0.000 1.136 196 R CA 2.264 58.491 56.100 0.212 0.000 0.935 196 R CB -0.543 29.793 30.300 0.060 0.000 0.842 196 R HN -0.062 nan 8.270 nan 0.000 0.430 197 K N -0.650 119.706 120.400 -0.074 0.000 2.030 197 K HA -0.211 4.109 4.320 -0.000 0.000 0.222 197 K C 2.001 178.488 176.600 -0.188 0.000 1.056 197 K CA 2.850 59.040 56.287 -0.162 0.000 0.957 197 K CB -0.442 31.899 32.500 -0.265 0.000 0.727 197 K HN 0.237 nan 8.250 nan 0.000 0.452 198 T N 0.223 114.593 114.554 -0.306 0.000 2.635 198 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 198 T C 1.895 176.494 174.700 -0.168 0.000 1.040 198 T CA 1.712 63.641 62.100 -0.285 0.000 1.156 198 T CB -0.422 68.236 68.868 -0.350 0.000 0.863 198 T HN -0.010 nan 8.240 nan 0.000 0.430 199 V N 1.467 121.292 119.914 -0.148 0.000 2.332 199 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 199 V C 2.543 178.715 176.094 0.129 0.000 1.055 199 V CA 1.728 64.040 62.300 0.021 0.000 1.038 199 V CB -0.664 31.215 31.823 0.094 0.000 0.651 199 V HN 0.544 nan 8.190 nan 0.000 0.450 200 E N -0.353 119.931 120.200 0.140 0.000 2.058 200 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 200 E C 2.386 178.991 176.600 0.008 0.000 0.997 200 E CA 1.381 57.858 56.400 0.128 0.000 0.801 200 E CB -0.185 29.544 29.700 0.049 0.000 0.746 200 E HN 0.621 nan 8.360 nan 0.000 0.450 201 E N 0.685 120.858 120.200 -0.046 0.000 2.110 201 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 201 E C 2.027 178.568 176.600 -0.099 0.000 0.988 201 E CA 1.102 57.453 56.400 -0.081 0.000 0.804 201 E CB 0.216 29.852 29.700 -0.107 0.000 0.745 201 E HN 0.106 nan 8.360 nan 0.000 0.458 202 V N 0.276 120.133 119.914 -0.095 0.000 2.719 202 V HA -0.063 4.057 4.120 -0.000 0.000 0.252 202 V C 2.417 178.328 176.094 -0.306 0.000 1.065 202 V CA 1.403 63.631 62.300 -0.120 0.000 1.086 202 V CB -0.391 31.419 31.823 -0.022 0.000 0.700 202 V HN 0.376 nan 8.190 nan 0.000 0.467 203 G N 0.194 108.760 108.800 -0.391 0.000 2.422 203 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 203 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 203 G C 1.698 176.410 174.900 -0.313 0.000 1.140 203 G CA 0.411 45.106 45.100 -0.676 0.000 0.775 203 G HN 0.417 nan 8.290 nan 0.000 0.545 204 R N 0.100 120.487 120.500 -0.188 0.000 2.119 204 R HA -0.120 4.220 4.340 -0.000 0.000 0.246 204 R C 2.806 178.987 176.300 -0.197 0.000 1.146 204 R CA 1.256 57.273 56.100 -0.139 0.000 0.962 204 R CB -0.646 29.586 30.300 -0.113 0.000 0.863 204 R HN 0.354 nan 8.270 nan 0.000 0.442 205 G N -0.352 108.260 108.800 -0.312 0.000 2.470 205 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.220 205 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.220 205 G C 0.201 174.716 174.900 -0.641 0.000 1.121 205 G CA 0.437 45.238 45.100 -0.497 0.000 0.766 205 G HN 0.335 nan 8.290 nan 0.000 0.553 206 Y N 0.627 120.777 120.300 -0.249 0.000 2.635 206 Y HA 0.287 4.837 4.550 -0.000 0.000 0.373 206 Y C -1.336 174.529 175.900 -0.058 0.000 1.000 206 Y CA -2.389 55.628 58.100 -0.138 0.000 1.219 206 Y CB 1.371 39.743 38.460 -0.147 0.000 1.294 206 Y HN 0.058 nan 8.280 nan 0.000 0.612 207 P HA -0.201 nan 4.420 nan 0.000 0.218 207 P C 0.858 178.214 177.300 0.092 0.000 1.148 207 P CA 1.658 64.788 63.100 0.049 0.000 0.822 207 P CB 0.338 32.043 31.700 0.008 0.000 0.784 208 D N -0.476 119.990 120.400 0.109 0.000 2.378 208 D HA -0.022 4.618 4.640 -0.000 0.000 0.227 208 D C 0.443 176.831 176.300 0.147 0.000 1.012 208 D CA 0.208 54.275 54.000 0.112 0.000 0.905 208 D CB -0.380 40.483 40.800 0.105 0.000 0.895 208 D HN 0.055 nan 8.370 nan 0.000 0.532 209 V N 0.796 120.830 119.914 0.201 0.000 2.513 209 V HA 0.564 4.683 4.120 -0.000 0.000 0.299 209 V C 0.163 176.395 176.094 0.230 0.000 1.035 209 V CA -1.160 61.281 62.300 0.235 0.000 0.889 209 V CB 1.569 33.617 31.823 0.376 0.000 0.988 209 V HN 0.294 nan 8.190 nan 0.000 0.440 210 A N 5.122 128.068 122.820 0.209 0.000 2.320 210 A HA 0.706 5.026 4.320 -0.000 0.000 0.287 210 A C -0.797 176.913 177.584 0.210 0.000 1.181 210 A CA -0.250 51.920 52.037 0.222 0.000 0.831 210 A CB 0.406 19.558 19.000 0.253 0.000 1.102 210 A HN 0.758 nan 8.150 nan 0.000 0.513 211 L N 2.412 123.751 121.223 0.193 0.000 2.287 211 L HA 0.557 4.897 4.340 -0.000 0.000 0.287 211 L C -0.040 176.883 176.870 0.088 0.000 1.022 211 L CA 0.030 54.938 54.840 0.114 0.000 0.814 211 L CB 1.224 43.419 42.059 0.227 0.000 1.217 211 L HN 0.792 nan 8.230 nan 0.000 0.420 212 E N 4.289 124.486 120.200 -0.005 0.000 2.248 212 E HA 0.368 4.718 4.350 -0.000 0.000 0.267 212 E C -1.315 175.233 176.600 -0.087 0.000 0.877 212 E CA -0.679 55.769 56.400 0.079 0.000 0.759 212 E CB 1.017 30.864 29.700 0.246 0.000 1.182 212 E HN 0.677 nan 8.360 nan 0.000 0.418 213 H N 2.559 121.635 119.070 0.010 0.000 2.567 213 H HA 0.415 4.971 4.556 -0.000 0.000 0.345 213 H C -0.606 174.650 175.328 -0.120 0.000 1.169 213 H CA -0.711 55.304 56.048 -0.056 0.000 1.227 213 H CB 2.123 31.843 29.762 -0.070 0.000 1.607 213 H HN 0.536 nan 8.280 nan 0.000 0.534 214 Q N 0.508 120.258 119.800 -0.083 0.000 2.472 214 Q HA 0.253 4.593 4.340 -0.000 0.000 0.281 214 Q C -1.565 174.280 176.000 -0.258 0.000 0.997 214 Q CA -0.658 55.049 55.803 -0.160 0.000 0.828 214 Q CB 2.112 30.842 28.738 -0.014 0.000 1.443 214 Q HN 0.433 nan 8.270 nan 0.000 0.390 215 Y N 0.267 120.577 120.300 0.017 0.000 2.300 215 Y HA 0.146 4.696 4.550 -0.000 0.000 0.328 215 Y C 1.142 176.940 175.900 -0.171 0.000 1.270 215 Y CA -0.158 57.911 58.100 -0.052 0.000 1.352 215 Y CB 0.747 39.188 38.460 -0.031 0.000 1.286 215 Y HN 0.553 nan 8.280 nan 0.000 0.536 216 V N 1.867 121.713 119.914 -0.113 0.000 2.255 216 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 216 V C 1.796 177.687 176.094 -0.339 0.000 1.051 216 V CA 2.790 64.834 62.300 -0.427 0.000 1.018 216 V CB -0.410 30.760 31.823 -1.088 0.000 0.641 216 V HN 1.039 nan 8.190 nan 0.000 0.445 217 D N 0.529 120.780 120.400 -0.248 0.000 2.097 217 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 217 D C 2.109 178.298 176.300 -0.185 0.000 0.984 217 D CA 1.752 55.633 54.000 -0.198 0.000 0.826 217 D CB -0.784 39.931 40.800 -0.143 0.000 0.973 217 D HN 0.526 nan 8.370 nan 0.000 0.460 218 A N 0.666 123.413 122.820 -0.122 0.000 1.940 218 A HA -0.160 4.159 4.320 -0.000 0.000 0.219 218 A C 2.320 179.523 177.584 -0.635 0.000 1.176 218 A CA 2.550 54.476 52.037 -0.185 0.000 0.631 218 A CB -0.784 18.273 19.000 0.095 0.000 0.814 218 A HN 0.304 nan 8.150 nan 0.000 0.446 219 M N 0.219 119.583 119.600 -0.394 0.000 2.159 219 M HA 0.004 4.484 4.480 -0.000 0.000 0.263 219 M C 2.115 178.207 176.300 -0.347 0.000 1.063 219 M CA 1.685 56.757 55.300 -0.380 0.000 1.110 219 M CB -0.645 31.799 32.600 -0.261 0.000 1.374 219 M HN 0.369 nan 8.290 nan 0.000 0.411 220 A N 0.127 122.775 122.820 -0.287 0.000 1.917 220 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 220 A C 2.233 179.719 177.584 -0.163 0.000 1.182 220 A CA 2.277 54.197 52.037 -0.195 0.000 0.633 220 A CB -0.765 18.130 19.000 -0.176 0.000 0.819 220 A HN 0.650 nan 8.150 nan 0.000 0.448 221 M N -1.169 118.284 119.600 -0.244 0.000 2.067 221 M HA -0.133 4.347 4.480 -0.000 0.000 0.260 221 M C 2.053 178.340 176.300 -0.022 0.000 1.069 221 M CA 1.573 56.785 55.300 -0.147 0.000 1.117 221 M CB -0.720 31.790 32.600 -0.149 0.000 1.334 221 M HN 0.572 nan 8.290 nan 0.000 0.407 222 H N -0.453 118.689 119.070 0.120 0.000 2.518 222 H HA -0.049 4.507 4.556 -0.000 0.000 0.289 222 H C 1.790 177.280 175.328 0.270 0.000 1.051 222 H CA 0.943 57.117 56.048 0.212 0.000 1.280 222 H CB -0.624 29.389 29.762 0.418 0.000 1.380 222 H HN 0.261 nan 8.280 nan 0.000 0.566 223 L N 0.280 121.643 121.223 0.234 0.000 2.554 223 L HA 0.015 4.355 4.340 -0.000 0.000 0.226 223 L C 1.825 178.757 176.870 0.103 0.000 1.137 223 L CA 0.513 55.465 54.840 0.187 0.000 0.863 223 L CB 0.255 42.347 42.059 0.055 0.000 0.985 223 L HN -0.011 nan 8.230 nan 0.000 0.451 224 V N -1.191 118.769 119.914 0.076 0.000 3.455 224 V HA 0.022 4.142 4.120 -0.000 0.000 0.250 224 V C 2.125 178.246 176.094 0.045 0.000 1.230 224 V CA 0.902 63.228 62.300 0.043 0.000 1.105 224 V CB 0.241 32.075 31.823 0.017 0.000 0.850 224 V HN 0.523 nan 8.190 nan 0.000 0.461 225 R N -0.523 120.018 120.500 0.068 0.000 2.254 225 R HA 0.233 4.573 4.340 -0.000 0.000 0.193 225 R C 1.360 177.676 176.300 0.026 0.000 0.929 225 R CA 1.153 57.283 56.100 0.050 0.000 1.038 225 R CB -0.018 30.323 30.300 0.068 0.000 1.009 225 R HN 0.191 nan 8.270 nan 0.000 0.512 226 S N 0.317 116.037 115.700 0.033 0.000 3.041 226 S HA 0.312 4.781 4.470 -0.000 0.000 0.250 226 S C -1.940 172.589 174.600 -0.118 0.000 0.898 226 S CA -1.193 56.965 58.200 -0.070 0.000 1.100 226 S CB 0.431 63.538 63.200 -0.155 0.000 1.149 226 S HN 0.044 nan 8.310 nan 0.000 0.540 227 P HA -0.234 nan 4.420 nan 0.000 0.220 227 P C 1.490 178.795 177.300 0.007 0.000 1.155 227 P CA 1.988 65.146 63.100 0.096 0.000 0.880 227 P CB -0.088 31.656 31.700 0.074 0.000 0.790 228 A N 0.735 123.517 122.820 -0.063 0.000 1.986 228 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 228 A C 2.163 179.663 177.584 -0.140 0.000 1.171 228 A CA 2.085 54.076 52.037 -0.077 0.000 0.640 228 A CB -1.263 17.692 19.000 -0.076 0.000 0.811 228 A HN 0.379 nan 8.150 nan 0.000 0.451 229 R N -2.029 118.276 120.500 -0.324 0.000 2.346 229 R HA 0.145 4.485 4.340 -0.000 0.000 0.199 229 R C -0.911 175.148 176.300 -0.402 0.000 1.015 229 R CA 0.110 55.952 56.100 -0.431 0.000 1.058 229 R CB -0.347 29.597 30.300 -0.593 0.000 0.921 229 R HN 0.272 nan 8.270 nan 0.000 0.475 230 F N 0.218 120.189 119.950 0.035 0.000 2.508 230 F HA 0.308 4.835 4.527 -0.000 0.000 0.325 230 F C 0.617 176.469 175.800 0.086 0.000 1.090 230 F CA -2.011 56.050 58.000 0.101 0.000 0.945 230 F CB 1.769 40.809 39.000 0.066 0.000 1.156 230 F HN -0.125 nan 8.300 nan 0.000 0.463 231 D N 0.922 121.540 120.400 0.363 0.000 3.013 231 D HA 0.137 4.777 4.640 -0.000 0.000 0.256 231 D C -0.616 175.722 176.300 0.062 0.000 1.573 231 D CA 0.693 54.797 54.000 0.173 0.000 1.197 231 D CB 0.257 41.161 40.800 0.173 0.000 1.041 231 D HN 0.123 nan 8.370 nan 0.000 0.304 232 V N 1.696 121.591 119.914 -0.032 0.000 2.394 232 V HA 0.454 4.573 4.120 -0.000 0.000 0.282 232 V C -0.272 175.689 176.094 -0.222 0.000 1.031 232 V CA -0.654 61.566 62.300 -0.134 0.000 0.881 232 V CB 1.702 33.410 31.823 -0.191 0.000 0.982 232 V HN 0.169 nan 8.190 nan 0.000 0.451 233 V N 6.204 125.998 119.914 -0.201 0.000 2.349 233 V HA 0.368 4.488 4.120 -0.000 0.000 0.284 233 V C -0.138 175.839 176.094 -0.195 0.000 1.014 233 V CA -0.572 61.579 62.300 -0.247 0.000 0.826 233 V CB 1.714 33.379 31.823 -0.263 0.000 1.009 233 V HN 0.643 nan 8.190 nan 0.000 0.431 234 V N 4.843 124.644 119.914 -0.187 0.000 2.539 234 V HA 0.927 5.047 4.120 -0.000 0.000 0.292 234 V C -0.134 175.934 176.094 -0.045 0.000 1.045 234 V CA 0.668 62.923 62.300 -0.075 0.000 0.945 234 V CB 1.812 33.608 31.823 -0.045 0.000 0.993 234 V HN 1.009 nan 8.190 nan 0.000 0.464 235 T N 3.132 117.654 114.554 -0.053 0.000 2.700 235 T HA 0.572 4.921 4.350 -0.000 0.000 0.307 235 T C 0.136 174.509 174.700 -0.545 0.000 1.580 235 T CA 0.101 61.969 62.100 -0.386 0.000 0.992 235 T CB 0.904 69.591 68.868 -0.302 0.000 1.577 235 T HN 1.358 nan 8.240 nan 0.000 0.496 236 G N 1.367 109.545 108.800 -1.035 0.000 2.583 236 G HA2 0.216 4.175 3.960 -0.000 0.000 0.275 236 G HA3 0.216 4.175 3.960 -0.000 0.000 0.275 236 G C 0.951 175.674 174.900 -0.295 0.000 1.342 236 G CA 0.023 44.668 45.100 -0.758 0.000 1.030 236 G HN 0.698 nan 8.290 nan 0.000 0.520 237 N N -0.761 117.826 118.700 -0.189 0.000 2.025 237 N HA -0.114 4.626 4.740 -0.000 0.000 0.194 237 N C 2.356 177.519 175.510 -0.579 0.000 1.069 237 N CA 1.358 54.193 53.050 -0.358 0.000 0.855 237 N CB -0.481 37.718 38.487 -0.480 0.000 1.054 237 N HN 0.462 nan 8.380 nan 0.000 0.427 238 I N 0.130 120.244 120.570 -0.760 0.000 2.208 238 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 238 I C 1.681 177.727 176.117 -0.118 0.000 1.097 238 I CA 1.244 62.219 61.300 -0.542 0.000 1.363 238 I CB -0.121 37.645 38.000 -0.390 0.000 1.051 238 I HN 0.037 nan 8.210 nan 0.000 0.413 239 F N 1.101 120.887 119.950 -0.274 0.000 2.186 239 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 239 F C 2.571 178.238 175.800 -0.221 0.000 1.090 239 F CA 0.962 58.821 58.000 -0.234 0.000 1.307 239 F CB -1.931 36.898 39.000 -0.285 0.000 1.019 239 F HN 0.140 nan 8.300 nan 0.000 0.489 240 G N -0.531 108.239 108.800 -0.051 0.000 2.422 240 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 240 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 240 G C 1.408 176.276 174.900 -0.053 0.000 1.146 240 G CA 1.058 46.110 45.100 -0.079 0.000 0.769 240 G HN 0.259 nan 8.290 nan 0.000 0.547 241 D N 0.449 120.817 120.400 -0.054 0.000 2.088 241 D HA -0.091 4.549 4.640 -0.000 0.000 0.191 241 D C 2.553 178.854 176.300 0.001 0.000 0.992 241 D CA 0.853 54.850 54.000 -0.005 0.000 0.831 241 D CB -0.186 40.637 40.800 0.038 0.000 0.973 241 D HN 0.317 nan 8.370 nan 0.000 0.447 242 I N 0.312 120.887 120.570 0.009 0.000 2.151 242 I HA -0.271 3.898 4.170 -0.000 0.000 0.243 242 I C 2.178 178.269 176.117 -0.043 0.000 1.080 242 I CA 0.871 62.166 61.300 -0.008 0.000 1.339 242 I CB -0.238 37.757 38.000 -0.009 0.000 1.039 242 I HN 0.134 nan 8.210 nan 0.000 0.409 243 L N 0.117 121.300 121.223 -0.066 0.000 2.291 243 L HA -0.104 4.236 4.340 -0.000 0.000 0.214 243 L C 2.662 179.492 176.870 -0.065 0.000 1.120 243 L CA 1.323 56.110 54.840 -0.089 0.000 0.799 243 L CB -0.783 41.197 42.059 -0.132 0.000 0.925 243 L HN 0.377 nan 8.230 nan 0.000 0.446 244 S N -1.442 114.229 115.700 -0.049 0.000 2.414 244 S HA -0.128 4.341 4.470 -0.000 0.000 0.227 244 S C 1.507 176.095 174.600 -0.020 0.000 1.022 244 S CA 0.743 58.921 58.200 -0.036 0.000 0.958 244 S CB -0.161 63.020 63.200 -0.032 0.000 0.797 244 S HN 0.270 nan 8.310 nan 0.000 0.493 245 D N 1.343 121.735 120.400 -0.014 0.000 2.149 245 D HA 0.097 4.736 4.640 -0.000 0.000 0.201 245 D C 1.853 178.147 176.300 -0.009 0.000 0.972 245 D CA 0.486 54.484 54.000 -0.004 0.000 0.835 245 D CB -0.280 40.521 40.800 0.003 0.000 0.966 245 D HN 0.256 nan 8.370 nan 0.000 0.476 246 L N 0.323 121.534 121.223 -0.020 0.000 1.961 246 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 246 L C 2.118 178.980 176.870 -0.013 0.000 1.072 246 L CA 1.631 56.458 54.840 -0.021 0.000 0.749 246 L CB -0.490 41.545 42.059 -0.039 0.000 0.889 246 L HN 0.031 nan 8.230 nan 0.000 0.432 247 A N -0.663 122.147 122.820 -0.018 0.000 2.131 247 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 247 A C 2.359 179.940 177.584 -0.005 0.000 1.158 247 A CA 1.652 53.684 52.037 -0.008 0.000 0.665 247 A CB -0.621 18.370 19.000 -0.015 0.000 0.795 247 A HN 0.679 nan 8.150 nan 0.000 0.460 248 S N -0.136 115.562 115.700 -0.003 0.000 2.453 248 S HA -0.077 4.392 4.470 -0.000 0.000 0.231 248 S C 1.627 176.232 174.600 0.009 0.000 1.005 248 S CA 1.264 59.467 58.200 0.005 0.000 0.949 248 S CB -0.794 62.412 63.200 0.010 0.000 0.774 248 S HN 1.043 nan 8.310 nan 0.000 0.510 249 V N -1.591 118.326 119.914 0.006 0.000 3.506 249 V HA 0.268 4.388 4.120 -0.000 0.000 0.263 249 V C 2.003 178.102 176.094 0.008 0.000 1.203 249 V CA 0.242 62.547 62.300 0.008 0.000 1.133 249 V CB -0.818 31.009 31.823 0.006 0.000 0.802 249 V HN 0.290 nan 8.190 nan 0.000 0.459 250 L N 1.506 122.732 121.223 0.005 0.000 2.012 250 L HA 0.044 4.383 4.340 -0.000 0.000 0.210 250 L C 0.202 177.073 176.870 0.001 0.000 1.073 250 L CA 2.415 57.257 54.840 0.004 0.000 0.748 250 L CB -1.880 40.180 42.059 0.003 0.000 0.891 250 L HN 0.390 nan 8.230 nan 0.000 0.431 251 P HA 0.123 nan 4.420 nan 0.000 0.245 251 P C 0.777 178.095 177.300 0.030 0.000 1.212 251 P CA 1.372 64.474 63.100 0.002 0.000 0.774 251 P CB 0.637 32.327 31.700 -0.016 0.000 0.999 252 G N -1.102 107.713 108.800 0.025 0.000 1.676 252 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.199 252 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.199 252 G C -0.505 174.408 174.900 0.021 0.000 1.990 252 G CA -0.191 44.925 45.100 0.027 0.000 1.393 252 G HN 0.282 nan 8.290 nan 0.000 0.449 253 S N -0.412 115.302 115.700 0.023 0.000 2.600 253 S HA 0.677 5.146 4.470 -0.000 0.000 0.300 253 S C 1.076 175.691 174.600 0.024 0.000 1.087 253 S CA -0.304 57.905 58.200 0.016 0.000 0.965 253 S CB 1.822 65.024 63.200 0.002 0.000 1.089 253 S HN 0.564 nan 8.310 nan 0.000 0.496 254 L N 1.719 122.958 121.223 0.025 0.000 2.201 254 L HA 0.044 4.384 4.340 -0.000 0.000 0.212 254 L C 2.079 178.988 176.870 0.064 0.000 1.105 254 L CA 1.018 55.884 54.840 0.042 0.000 0.775 254 L CB -0.404 41.681 42.059 0.044 0.000 0.913 254 L HN 0.890 nan 8.230 nan 0.000 0.440 255 G N -0.914 107.907 108.800 0.036 0.000 3.094 255 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.208 255 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.208 255 G C 1.162 176.087 174.900 0.041 0.000 1.189 255 G CA -0.028 45.088 45.100 0.027 0.000 0.856 255 G HN 0.309 nan 8.290 nan 0.000 0.510 256 L N -0.492 120.768 121.223 0.061 0.000 2.638 256 L HA 0.379 4.719 4.340 -0.000 0.000 0.232 256 L C -0.012 176.925 176.870 0.112 0.000 1.099 256 L CA -0.039 54.848 54.840 0.078 0.000 0.883 256 L CB 0.418 42.525 42.059 0.080 0.000 1.136 256 L HN 0.006 nan 8.230 nan 0.000 0.492 257 L N 1.308 122.592 121.223 0.102 0.000 2.289 257 L HA 0.443 4.783 4.340 -0.000 0.000 0.285 257 L C -2.012 174.912 176.870 0.089 0.000 1.049 257 L CA -2.201 52.695 54.840 0.092 0.000 0.804 257 L CB 0.625 42.720 42.059 0.061 0.000 1.195 257 L HN -0.172 nan 8.230 nan 0.000 0.428 258 P HA 0.362 nan 4.420 nan 0.000 0.302 258 P C -0.844 176.487 177.300 0.051 0.000 1.307 258 P CA -0.424 62.728 63.100 0.086 0.000 0.754 258 P CB 1.633 33.407 31.700 0.123 0.000 1.298 259 S N -2.355 113.374 115.700 0.049 0.000 2.565 259 S HA 0.698 5.168 4.470 -0.000 0.000 0.269 259 S C -1.888 172.682 174.600 -0.049 0.000 1.153 259 S CA -0.466 57.725 58.200 -0.015 0.000 0.835 259 S CB 0.720 63.890 63.200 -0.050 0.000 1.122 259 S HN 0.718 nan 8.310 nan 0.000 0.462 260 A N 1.439 124.150 122.820 -0.181 0.000 2.556 260 A HA 0.888 5.208 4.320 -0.000 0.000 0.294 260 A C -1.002 176.337 177.584 -0.409 0.000 1.091 260 A CA -0.633 51.136 52.037 -0.447 0.000 0.704 260 A CB 1.939 20.643 19.000 -0.493 0.000 1.300 260 A HN 0.825 nan 8.150 nan 0.000 0.406 261 S N 1.207 116.589 115.700 -0.529 0.000 2.746 261 S HA 0.465 4.935 4.470 -0.000 0.000 0.273 261 S C -0.951 173.375 174.600 -0.457 0.000 1.172 261 S CA -0.447 57.517 58.200 -0.394 0.000 1.116 261 S CB 0.412 63.424 63.200 -0.314 0.000 1.057 261 S HN 0.529 nan 8.310 nan 0.000 0.483 262 L N 2.606 123.561 121.223 -0.447 0.000 2.360 262 L HA 0.881 5.220 4.340 -0.000 0.000 0.271 262 L C 0.979 177.442 176.870 -0.678 0.000 1.057 262 L CA 0.342 54.906 54.840 -0.459 0.000 0.803 262 L CB 1.196 43.034 42.059 -0.368 0.000 1.207 262 L HN 0.836 nan 8.230 nan 0.000 0.445 263 G N 2.237 110.677 108.800 -0.600 0.000 2.512 263 G HA2 0.214 4.174 3.960 -0.000 0.000 0.186 263 G HA3 0.214 4.174 3.960 -0.000 0.000 0.186 263 G C 0.190 174.984 174.900 -0.177 0.000 1.189 263 G CA -0.453 44.167 45.100 -0.801 0.000 0.994 263 G HN 0.441 nan 8.290 nan 0.000 0.506 264 R N -0.391 120.138 120.500 0.049 0.000 2.290 264 R HA 0.309 4.648 4.340 -0.000 0.000 0.197 264 R C 1.462 177.777 176.300 0.025 0.000 0.913 264 R CA 0.824 56.981 56.100 0.095 0.000 1.040 264 R CB 0.521 30.923 30.300 0.169 0.000 0.992 264 R HN 0.541 nan 8.270 nan 0.000 0.500 265 G N -0.773 108.017 108.800 -0.015 0.000 2.695 265 G HA2 0.097 4.057 3.960 -0.000 0.000 0.213 265 G HA3 0.097 4.057 3.960 -0.000 0.000 0.213 265 G C -0.605 174.265 174.900 -0.051 0.000 1.406 265 G CA -0.365 44.721 45.100 -0.023 0.000 1.049 265 G HN -0.020 nan 8.290 nan 0.000 0.573 266 T N 3.163 117.688 114.554 -0.049 0.000 2.799 266 T HA 0.368 4.717 4.350 -0.000 0.000 0.296 266 T C -2.111 172.526 174.700 -0.106 0.000 0.947 266 T CA -0.425 61.642 62.100 -0.054 0.000 1.141 266 T CB 1.290 70.136 68.868 -0.037 0.000 0.891 266 T HN 0.254 nan 8.240 nan 0.000 0.533 267 P HA 0.264 nan 4.420 nan 0.000 0.275 267 P C -0.628 176.512 177.300 -0.267 0.000 1.228 267 P CA -0.463 62.489 63.100 -0.246 0.000 0.786 267 P CB 0.802 32.352 31.700 -0.250 0.000 0.927 268 V N 1.939 121.598 119.914 -0.425 0.000 2.448 268 V HA 0.621 4.741 4.120 -0.000 0.000 0.295 268 V C -1.382 174.410 176.094 -0.504 0.000 1.025 268 V CA -0.795 61.309 62.300 -0.328 0.000 0.859 268 V CB 0.633 32.291 31.823 -0.274 0.000 0.988 268 V HN 0.194 nan 8.190 nan 0.000 0.431 269 F N 5.044 124.924 119.950 -0.116 0.000 2.444 269 F HA 0.784 5.310 4.527 -0.000 0.000 0.342 269 F C 0.316 176.061 175.800 -0.091 0.000 1.121 269 F CA -0.192 57.755 58.000 -0.088 0.000 0.997 269 F CB 1.691 40.661 39.000 -0.051 0.000 1.130 269 F HN 0.857 nan 8.300 nan 0.000 0.454 270 E N 4.766 124.993 120.200 0.046 0.000 2.412 270 E HA 0.448 4.797 4.350 -0.000 0.000 0.279 270 E C -3.346 173.229 176.600 -0.042 0.000 0.984 270 E CA -2.489 53.900 56.400 -0.019 0.000 0.788 270 E CB 3.064 32.710 29.700 -0.091 0.000 1.277 270 E HN 0.146 nan 8.360 nan 0.000 0.455 271 P HA 0.052 nan 4.420 nan 0.000 0.280 271 P C 0.990 178.136 177.300 -0.256 0.000 1.244 271 P CA -0.312 62.690 63.100 -0.164 0.000 0.784 271 P CB 1.500 33.038 31.700 -0.270 0.000 0.913 272 V N 2.530 122.378 119.914 -0.111 0.000 2.490 272 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 272 V C 1.481 177.533 176.094 -0.070 0.000 1.061 272 V CA 1.674 63.933 62.300 -0.069 0.000 1.064 272 V CB -2.046 29.777 31.823 0.001 0.000 0.670 272 V HN 0.760 nan 8.190 nan 0.000 0.461 273 H N 0.059 119.141 119.070 0.020 0.000 2.895 273 H HA 0.407 4.963 4.556 -0.000 0.000 0.371 273 H C 0.725 176.068 175.328 0.026 0.000 1.219 273 H CA 0.161 56.221 56.048 0.019 0.000 1.431 273 H CB -0.107 29.664 29.762 0.015 0.000 1.414 273 H HN 0.153 nan 8.280 nan 0.000 0.617 274 G N -0.611 108.337 108.800 0.247 0.000 2.535 274 G HA2 0.249 4.209 3.960 -0.000 0.000 0.282 274 G HA3 0.249 4.209 3.960 -0.000 0.000 0.282 274 G C 0.628 175.684 174.900 0.260 0.000 1.350 274 G CA -0.328 44.877 45.100 0.175 0.000 1.039 274 G HN 0.786 nan 8.290 nan 0.000 0.509 275 S N -0.874 114.929 115.700 0.171 0.000 2.496 275 S HA 0.299 4.769 4.470 -0.000 0.000 0.224 275 S C 1.646 176.331 174.600 0.142 0.000 0.996 275 S CA 0.914 59.217 58.200 0.172 0.000 0.927 275 S CB -0.071 63.229 63.200 0.167 0.000 0.774 275 S HN 2.021 nan 8.310 nan 0.000 0.524 276 A N 2.354 125.240 122.820 0.110 0.000 2.364 276 A HA -0.125 4.195 4.320 -0.000 0.000 0.288 276 A C -0.772 176.848 177.584 0.060 0.000 1.433 276 A CA 0.718 52.793 52.037 0.064 0.000 0.757 276 A CB -1.931 17.086 19.000 0.029 0.000 1.098 276 A HN 0.460 nan 8.150 nan 0.000 0.380 277 P HA -0.189 nan 4.420 nan 0.000 0.216 277 P C 1.115 178.434 177.300 0.032 0.000 1.154 277 P CA 1.642 64.780 63.100 0.063 0.000 0.865 277 P CB 0.051 31.783 31.700 0.053 0.000 0.789 278 D N -0.036 120.376 120.400 0.019 0.000 2.106 278 D HA -0.164 4.475 4.640 -0.000 0.000 0.191 278 D C 1.842 178.147 176.300 0.007 0.000 0.997 278 D CA 1.330 55.334 54.000 0.007 0.000 0.834 278 D CB -0.787 40.014 40.800 0.002 0.000 0.956 278 D HN 0.343 nan 8.370 nan 0.000 0.448 279 I N -1.502 119.073 120.570 0.008 0.000 3.444 279 I HA 0.214 4.384 4.170 -0.000 0.000 0.287 279 I C 0.647 176.770 176.117 0.010 0.000 1.302 279 I CA -0.266 61.035 61.300 0.002 0.000 1.368 279 I CB -0.194 37.800 38.000 -0.011 0.000 1.048 279 I HN -0.258 nan 8.210 nan 0.000 0.487 280 A N 1.597 124.432 122.820 0.024 0.000 2.492 280 A HA 0.469 4.788 4.320 -0.000 0.000 0.254 280 A C 1.508 179.111 177.584 0.032 0.000 1.091 280 A CA 0.523 52.583 52.037 0.038 0.000 0.768 280 A CB -0.423 18.612 19.000 0.059 0.000 1.028 280 A HN 1.013 nan 8.150 nan 0.000 0.498 281 G N 2.035 110.856 108.800 0.034 0.000 2.253 281 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.251 281 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.251 281 G C 0.651 175.563 174.900 0.021 0.000 0.998 281 G CA 0.583 45.701 45.100 0.030 0.000 0.621 281 G HN 0.807 nan 8.290 nan 0.000 0.524 282 K N 1.227 121.636 120.400 0.015 0.000 2.627 282 K HA 0.409 4.729 4.320 -0.000 0.000 0.212 282 K C 1.659 178.264 176.600 0.008 0.000 1.041 282 K CA 0.188 56.481 56.287 0.010 0.000 1.205 282 K CB 0.059 32.562 32.500 0.005 0.000 0.936 282 K HN 1.113 nan 8.250 nan 0.000 0.489 283 G N 2.296 111.104 108.800 0.012 0.000 2.453 283 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.313 283 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.313 283 G C 0.649 175.551 174.900 0.003 0.000 0.948 283 G CA 0.878 45.985 45.100 0.013 0.000 0.846 283 G HN 0.641 nan 8.290 nan 0.000 0.512 284 I N -1.130 119.435 120.570 -0.009 0.000 3.783 284 I HA 0.580 4.750 4.170 -0.000 0.000 0.310 284 I C 1.475 177.562 176.117 -0.050 0.000 1.274 284 I CA 0.419 61.705 61.300 -0.023 0.000 1.294 284 I CB 0.060 38.048 38.000 -0.020 0.000 1.051 284 I HN 0.273 nan 8.210 nan 0.000 0.435 285 A N 1.889 124.677 122.820 -0.055 0.000 2.440 285 A HA 0.092 4.412 4.320 -0.000 0.000 0.251 285 A C 0.112 177.620 177.584 -0.127 0.000 1.089 285 A CA -0.248 51.729 52.037 -0.100 0.000 0.779 285 A CB -0.184 18.758 19.000 -0.096 0.000 1.022 285 A HN 0.603 nan 8.150 nan 0.000 0.492 286 N N 3.659 122.242 118.700 -0.196 0.000 2.399 286 N HA 0.155 4.895 4.740 -0.000 0.000 0.259 286 N C -1.698 173.690 175.510 -0.204 0.000 1.160 286 N CA -1.579 51.306 53.050 -0.276 0.000 0.946 286 N CB 0.818 39.112 38.487 -0.320 0.000 1.156 286 N HN 0.392 nan 8.380 nan 0.000 0.489 287 P HA -0.000 nan 4.420 nan 0.000 0.252 287 P C 0.709 178.050 177.300 0.068 0.000 1.265 287 P CA 0.380 63.494 63.100 0.023 0.000 0.775 287 P CB 0.216 31.976 31.700 0.101 0.000 1.128 288 T N 0.243 114.784 114.554 -0.023 0.000 2.720 288 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 288 T C 2.022 176.790 174.700 0.114 0.000 1.037 288 T CA 1.828 63.977 62.100 0.081 0.000 1.144 288 T CB -0.581 68.279 68.868 -0.012 0.000 0.864 288 T HN 0.152 nan 8.240 nan 0.000 0.444 289 A N 1.612 124.501 122.820 0.115 0.000 1.858 289 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 289 A C 2.700 180.369 177.584 0.142 0.000 1.190 289 A CA 1.933 54.066 52.037 0.161 0.000 0.617 289 A CB -1.264 17.905 19.000 0.283 0.000 0.827 289 A HN 0.514 nan 8.150 nan 0.000 0.443 290 A N 0.099 123.012 122.820 0.155 0.000 1.908 290 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 290 A C 2.096 179.730 177.584 0.084 0.000 1.181 290 A CA 1.648 53.753 52.037 0.113 0.000 0.627 290 A CB -0.685 18.388 19.000 0.122 0.000 0.818 290 A HN 0.546 nan 8.150 nan 0.000 0.445 291 I N -0.679 119.947 120.570 0.094 0.000 2.439 291 I HA -0.180 3.990 4.170 -0.000 0.000 0.251 291 I C 2.294 178.452 176.117 0.068 0.000 1.139 291 I CA 0.781 62.125 61.300 0.074 0.000 1.438 291 I CB -0.449 37.608 38.000 0.095 0.000 1.085 291 I HN 0.260 nan 8.210 nan 0.000 0.427 292 L N 0.290 121.572 121.223 0.097 0.000 2.093 292 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 292 L C 2.754 179.683 176.870 0.098 0.000 1.085 292 L CA 1.110 56.015 54.840 0.108 0.000 0.755 292 L CB -0.383 41.763 42.059 0.146 0.000 0.904 292 L HN 0.216 nan 8.230 nan 0.000 0.435 293 S N 0.298 116.058 115.700 0.099 0.000 2.359 293 S HA -0.219 4.251 4.470 -0.000 0.000 0.224 293 S C 2.120 176.739 174.600 0.032 0.000 1.035 293 S CA 1.378 59.650 58.200 0.120 0.000 1.018 293 S CB -0.311 62.954 63.200 0.109 0.000 0.876 293 S HN 0.526 nan 8.310 nan 0.000 0.448 294 A N 1.048 123.866 122.820 -0.003 0.000 2.070 294 A HA 0.206 4.525 4.320 -0.000 0.000 0.220 294 A C 2.224 179.746 177.584 -0.103 0.000 1.159 294 A CA 1.516 53.509 52.037 -0.072 0.000 0.656 294 A CB -0.721 18.256 19.000 -0.039 0.000 0.800 294 A HN 0.513 nan 8.150 nan 0.000 0.453 295 A N -0.722 122.072 122.820 -0.043 0.000 1.898 295 A HA 0.046 4.366 4.320 -0.000 0.000 0.214 295 A C 2.176 179.726 177.584 -0.057 0.000 1.183 295 A CA 1.304 53.324 52.037 -0.029 0.000 0.622 295 A CB -0.447 18.570 19.000 0.028 0.000 0.824 295 A HN 0.442 nan 8.150 nan 0.000 0.444 296 M N -0.857 118.734 119.600 -0.015 0.000 2.108 296 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 296 M C 2.467 178.563 176.300 -0.339 0.000 1.066 296 M CA 2.209 57.575 55.300 0.111 0.000 1.107 296 M CB -0.622 32.205 32.600 0.379 0.000 1.356 296 M HN 0.708 nan 8.290 nan 0.000 0.406 297 M N 0.065 118.920 119.600 -1.241 0.000 2.213 297 M HA -0.205 4.275 4.480 -0.000 0.000 0.263 297 M C 1.806 177.760 176.300 -0.577 0.000 1.062 297 M CA 1.492 55.637 55.300 -1.924 0.000 1.105 297 M CB -0.054 31.715 32.600 -1.385 0.000 1.385 297 M HN 0.145 nan 8.290 nan 0.000 0.417 298 L N 1.207 122.304 121.223 -0.211 0.000 2.027 298 L HA -0.173 4.166 4.340 -0.000 0.000 0.206 298 L C 2.515 179.407 176.870 0.037 0.000 1.074 298 L CA 2.479 57.369 54.840 0.083 0.000 0.745 298 L CB -1.074 40.997 42.059 0.020 0.000 0.898 298 L HN 0.597 nan 8.230 nan 0.000 0.433 299 E N -1.740 118.411 120.200 -0.081 0.000 2.051 299 E HA -0.207 4.143 4.350 -0.000 0.000 0.189 299 E C 1.911 178.377 176.600 -0.223 0.000 0.979 299 E CA 1.428 57.733 56.400 -0.157 0.000 0.803 299 E CB -0.459 29.092 29.700 -0.248 0.000 0.761 299 E HN 0.586 nan 8.360 nan 0.000 0.451 300 H N -0.711 118.374 119.070 0.025 0.000 2.548 300 H HA 0.326 4.881 4.556 -0.000 0.000 0.268 300 H C 0.979 176.339 175.328 0.053 0.000 0.975 300 H CA 0.834 56.944 56.048 0.103 0.000 1.195 300 H CB 0.687 30.620 29.762 0.286 0.000 1.397 300 H HN 0.352 nan 8.280 nan 0.000 0.572 301 A N -1.065 121.704 122.820 -0.085 0.000 2.545 301 A HA 0.269 4.588 4.320 -0.000 0.000 0.263 301 A C 0.205 177.273 177.584 -0.860 0.000 1.202 301 A CA -0.154 51.631 52.037 -0.419 0.000 0.959 301 A CB 0.326 19.004 19.000 -0.536 0.000 1.124 301 A HN 0.279 nan 8.150 nan 0.000 0.543 302 F N -2.386 117.573 119.950 0.016 0.000 3.020 302 F HA 0.341 4.867 4.527 -0.000 0.000 0.392 302 F C 1.662 177.455 175.800 -0.011 0.000 1.018 302 F CA -0.012 57.987 58.000 -0.001 0.000 1.045 302 F CB 0.234 39.219 39.000 -0.024 0.000 1.261 302 F HN 0.293 nan 8.300 nan 0.000 0.549 303 G N 0.872 109.727 108.800 0.091 0.000 2.184 303 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.264 303 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.264 303 G C 0.182 175.102 174.900 0.033 0.000 0.975 303 G CA 0.101 45.222 45.100 0.036 0.000 0.642 303 G HN 0.121 nan 8.290 nan 0.000 0.536 304 L N 2.623 123.889 121.223 0.072 0.000 2.450 304 L HA 0.213 4.552 4.340 -0.000 0.000 0.256 304 L C 2.336 179.207 176.870 0.001 0.000 1.374 304 L CA 0.817 55.679 54.840 0.037 0.000 1.210 304 L CB -0.516 41.568 42.059 0.043 0.000 1.394 304 L HN 0.447 nan 8.230 nan 0.000 0.438 305 V N -0.128 119.776 119.914 -0.016 0.000 2.515 305 V HA -0.166 3.954 4.120 -0.000 0.000 0.250 305 V C 2.043 178.129 176.094 -0.013 0.000 1.058 305 V CA 1.084 63.364 62.300 -0.034 0.000 1.064 305 V CB -0.490 31.312 31.823 -0.036 0.000 0.675 305 V HN 0.519 nan 8.190 nan 0.000 0.461 306 E N 0.275 120.473 120.200 -0.005 0.000 2.046 306 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 306 E C 1.997 178.595 176.600 -0.003 0.000 0.982 306 E CA 1.193 57.593 56.400 -0.000 0.000 0.800 306 E CB -0.235 29.465 29.700 0.000 0.000 0.756 306 E HN 0.472 nan 8.360 nan 0.000 0.449 307 L N 0.452 121.671 121.223 -0.007 0.000 2.042 307 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 307 L C 2.213 179.077 176.870 -0.009 0.000 1.076 307 L CA 1.998 56.831 54.840 -0.012 0.000 0.749 307 L CB -1.001 41.048 42.059 -0.016 0.000 0.893 307 L HN 0.168 nan 8.230 nan 0.000 0.432 308 A N -0.977 121.838 122.820 -0.007 0.000 1.877 308 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 308 A C 2.463 180.056 177.584 0.015 0.000 1.186 308 A CA 1.741 53.777 52.037 -0.002 0.000 0.620 308 A CB -0.488 18.504 19.000 -0.015 0.000 0.822 308 A HN 0.275 nan 8.150 nan 0.000 0.443 309 R N 0.046 120.557 120.500 0.018 0.000 2.152 309 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 309 R C 2.098 178.410 176.300 0.020 0.000 1.117 309 R CA 1.851 57.973 56.100 0.037 0.000 0.981 309 R CB -0.356 29.965 30.300 0.035 0.000 0.870 309 R HN 0.699 nan 8.270 nan 0.000 0.451 310 K N -0.421 119.980 120.400 0.001 0.000 1.973 310 K HA -0.101 4.219 4.320 -0.000 0.000 0.210 310 K C 1.702 178.285 176.600 -0.029 0.000 1.045 310 K CA 1.787 58.065 56.287 -0.015 0.000 0.937 310 K CB -0.308 32.181 32.500 -0.018 0.000 0.721 310 K HN -0.021 nan 8.250 nan 0.000 0.438 311 V N 1.741 121.641 119.914 -0.024 0.000 2.250 311 V HA -0.328 3.791 4.120 -0.000 0.000 0.250 311 V C 2.289 178.357 176.094 -0.044 0.000 1.060 311 V CA 2.449 64.731 62.300 -0.031 0.000 1.030 311 V CB -0.725 31.089 31.823 -0.015 0.000 0.643 311 V HN 0.472 nan 8.190 nan 0.000 0.445 312 E N -0.250 119.942 120.200 -0.014 0.000 2.086 312 E HA -0.336 4.014 4.350 -0.000 0.000 0.205 312 E C 2.022 178.498 176.600 -0.207 0.000 1.027 312 E CA 1.944 58.331 56.400 -0.023 0.000 0.830 312 E CB -0.281 29.489 29.700 0.118 0.000 0.751 312 E HN 0.735 nan 8.360 nan 0.000 0.456 313 D N -0.161 120.156 120.400 -0.138 0.000 2.092 313 D HA -0.160 4.479 4.640 -0.000 0.000 0.193 313 D C 1.877 178.054 176.300 -0.205 0.000 0.994 313 D CA 1.813 55.704 54.000 -0.181 0.000 0.828 313 D CB -0.350 40.405 40.800 -0.075 0.000 0.963 313 D HN 0.178 nan 8.370 nan 0.000 0.450 314 A N 0.132 122.866 122.820 -0.144 0.000 1.917 314 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 314 A C 2.669 180.143 177.584 -0.183 0.000 1.182 314 A CA 2.109 54.059 52.037 -0.145 0.000 0.633 314 A CB -0.939 17.992 19.000 -0.116 0.000 0.819 314 A HN 0.248 nan 8.150 nan 0.000 0.448 315 V N -0.325 119.484 119.914 -0.176 0.000 2.307 315 V HA -0.228 3.891 4.120 -0.000 0.000 0.245 315 V C 3.057 179.048 176.094 -0.172 0.000 1.045 315 V CA 1.876 64.103 62.300 -0.122 0.000 1.024 315 V CB -1.353 30.447 31.823 -0.039 0.000 0.651 315 V HN 0.641 nan 8.190 nan 0.000 0.449 316 A N -0.126 122.439 122.820 -0.425 0.000 1.892 316 A HA -0.317 4.003 4.320 -0.000 0.000 0.218 316 A C 2.235 179.705 177.584 -0.190 0.000 1.188 316 A CA 2.500 54.243 52.037 -0.491 0.000 0.631 316 A CB -0.569 17.924 19.000 -0.844 0.000 0.822 316 A HN 0.468 nan 8.150 nan 0.000 0.447 317 K N -0.301 119.993 120.400 -0.178 0.000 2.001 317 K HA -0.084 4.236 4.320 -0.000 0.000 0.214 317 K C 2.139 178.678 176.600 -0.102 0.000 1.050 317 K CA 1.729 57.947 56.287 -0.115 0.000 0.934 317 K CB -0.543 31.885 32.500 -0.120 0.000 0.718 317 K HN 0.418 nan 8.250 nan 0.000 0.443 318 A N 0.109 122.826 122.820 -0.172 0.000 2.015 318 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 318 A C 2.009 179.597 177.584 0.008 0.000 1.163 318 A CA 1.120 53.001 52.037 -0.260 0.000 0.646 318 A CB -0.503 18.073 19.000 -0.707 0.000 0.806 318 A HN 0.295 nan 8.150 nan 0.000 0.448 319 L N -1.006 120.322 121.223 0.175 0.000 2.551 319 L HA 0.004 4.344 4.340 -0.000 0.000 0.228 319 L C 2.125 179.088 176.870 0.155 0.000 1.153 319 L CA 0.269 55.297 54.840 0.313 0.000 0.851 319 L CB -0.080 42.113 42.059 0.225 0.000 0.959 319 L HN 0.425 nan 8.230 nan 0.000 0.451 320 L N -1.439 119.832 121.223 0.081 0.000 2.276 320 L HA -0.016 4.324 4.340 -0.000 0.000 0.194 320 L C 2.394 179.290 176.870 0.042 0.000 1.099 320 L CA 0.506 55.377 54.840 0.052 0.000 0.800 320 L CB -0.063 42.011 42.059 0.025 0.000 0.994 320 L HN 0.122 nan 8.230 nan 0.000 0.475 321 E N -0.342 119.868 120.200 0.016 0.000 2.031 321 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 321 E C 0.462 177.076 176.600 0.024 0.000 0.994 321 E CA 1.753 58.155 56.400 0.004 0.000 0.800 321 E CB -0.229 29.453 29.700 -0.031 0.000 0.752 321 E HN 0.409 nan 8.360 nan 0.000 0.447 322 T N 0.558 115.135 114.554 0.039 0.000 3.438 322 T HA 0.307 4.657 4.350 -0.000 0.000 0.244 322 T C -2.702 172.142 174.700 0.240 0.000 1.269 322 T CA -1.707 60.447 62.100 0.090 0.000 1.371 322 T CB 0.604 69.493 68.868 0.035 0.000 1.002 322 T HN -0.143 nan 8.240 nan 0.000 0.637 323 P HA 0.121 nan 4.420 nan 0.000 0.265 323 P C -2.265 175.094 177.300 0.098 0.000 1.187 323 P CA -0.793 62.410 63.100 0.172 0.000 0.766 323 P CB -0.057 31.696 31.700 0.088 0.000 0.820 324 P HA 0.153 nan 4.420 nan 0.000 0.274 324 P C -2.082 175.177 177.300 -0.068 0.000 1.256 324 P CA -1.798 61.227 63.100 -0.125 0.000 0.795 324 P CB -0.204 31.290 31.700 -0.343 0.000 1.038 325 P HA -0.211 nan 4.420 nan 0.000 0.216 325 P C 1.121 178.395 177.300 -0.042 0.000 1.153 325 P CA 1.760 64.836 63.100 -0.039 0.000 0.858 325 P CB -0.319 31.358 31.700 -0.038 0.000 0.789 326 D N -0.808 119.553 120.400 -0.064 0.000 2.219 326 D HA -0.115 4.524 4.640 -0.000 0.000 0.205 326 D C 1.319 177.596 176.300 -0.038 0.000 0.970 326 D CA 0.796 54.764 54.000 -0.054 0.000 0.851 326 D CB -0.618 40.138 40.800 -0.072 0.000 0.943 326 D HN 0.223 nan 8.370 nan 0.000 0.488 327 L N 0.916 122.114 121.223 -0.042 0.000 2.851 327 L HA 0.214 4.554 4.340 -0.000 0.000 0.237 327 L C 0.690 177.560 176.870 -0.001 0.000 1.257 327 L CA 0.077 54.907 54.840 -0.016 0.000 1.061 327 L CB -0.380 41.672 42.059 -0.013 0.000 1.372 327 L HN 0.131 nan 8.230 nan 0.000 0.493 328 G N 0.686 109.483 108.800 -0.005 0.000 2.350 328 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.298 328 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.298 328 G C 0.381 175.286 174.900 0.008 0.000 1.037 328 G CA 0.326 45.427 45.100 0.002 0.000 1.074 328 G HN 0.634 nan 8.290 nan 0.000 0.511 329 G N -1.763 107.040 108.800 0.005 0.000 2.976 329 G HA2 0.778 4.738 3.960 -0.000 0.000 0.276 329 G HA3 0.778 4.738 3.960 -0.000 0.000 0.276 329 G C -0.140 174.767 174.900 0.012 0.000 1.207 329 G CA 0.594 45.704 45.100 0.016 0.000 0.803 329 G HN 1.087 nan 8.290 nan 0.000 0.572 330 S N -0.618 115.096 115.700 0.022 0.000 2.589 330 S HA 0.467 4.937 4.470 -0.000 0.000 0.210 330 S C -0.149 174.472 174.600 0.034 0.000 0.803 330 S CA 0.266 58.477 58.200 0.018 0.000 1.061 330 S CB 0.056 63.264 63.200 0.014 0.000 1.637 330 S HN 1.347 nan 8.310 nan 0.000 0.462 331 A N 1.455 124.308 122.820 0.055 0.000 2.880 331 A HA 0.699 5.019 4.320 -0.000 0.000 0.328 331 A C 0.923 178.563 177.584 0.093 0.000 1.440 331 A CA -0.130 51.965 52.037 0.097 0.000 1.068 331 A CB -0.480 18.631 19.000 0.184 0.000 1.163 331 A HN 0.609 nan 8.150 nan 0.000 0.510 332 G N 0.739 109.573 108.800 0.056 0.000 2.707 332 G HA2 0.148 4.108 3.960 -0.000 0.000 0.231 332 G HA3 0.148 4.108 3.960 -0.000 0.000 0.231 332 G C 1.170 176.113 174.900 0.073 0.000 1.246 332 G CA 0.576 45.700 45.100 0.041 0.000 0.852 332 G HN 0.758 nan 8.290 nan 0.000 0.584 333 T N -0.069 114.511 114.554 0.044 0.000 2.594 333 T HA -0.301 4.049 4.350 -0.000 0.000 0.266 333 T C 2.114 176.879 174.700 0.108 0.000 1.070 333 T CA 2.695 64.835 62.100 0.067 0.000 1.166 333 T CB -0.365 68.524 68.868 0.035 0.000 0.862 333 T HN 0.697 nan 8.240 nan 0.000 0.436 334 E N -0.200 120.044 120.200 0.074 0.000 2.110 334 E HA -0.004 4.346 4.350 -0.000 0.000 0.193 334 E C 2.323 178.964 176.600 0.067 0.000 0.988 334 E CA 1.177 57.615 56.400 0.063 0.000 0.804 334 E CB -0.486 29.239 29.700 0.043 0.000 0.745 334 E HN 0.629 nan 8.360 nan 0.000 0.458 335 A N 0.206 123.074 122.820 0.079 0.000 1.841 335 A HA -0.173 4.147 4.320 -0.000 0.000 0.214 335 A C 2.072 179.707 177.584 0.084 0.000 1.195 335 A CA 1.344 53.422 52.037 0.069 0.000 0.611 335 A CB -1.024 18.020 19.000 0.074 0.000 0.835 335 A HN 0.462 nan 8.150 nan 0.000 0.443 336 F N 1.768 121.714 119.950 -0.007 0.000 2.120 336 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 336 F C 2.439 178.232 175.800 -0.012 0.000 1.095 336 F CA 2.338 60.333 58.000 -0.010 0.000 1.249 336 F CB -0.544 38.450 39.000 -0.009 0.000 0.995 336 F HN 0.240 nan 8.300 nan 0.000 0.480 337 T N 0.183 114.791 114.554 0.090 0.000 2.881 337 T HA -0.128 4.222 4.350 -0.000 0.000 0.270 337 T C 2.176 176.827 174.700 -0.081 0.000 1.068 337 T CA 1.025 63.130 62.100 0.008 0.000 1.131 337 T CB -0.699 68.208 68.868 0.065 0.000 0.871 337 T HN 0.378 nan 8.240 nan 0.000 0.479 338 A N 1.759 124.536 122.820 -0.072 0.000 1.873 338 A HA -0.087 4.232 4.320 -0.000 0.000 0.215 338 A C 2.586 180.093 177.584 -0.127 0.000 1.186 338 A CA 1.880 53.872 52.037 -0.075 0.000 0.616 338 A CB -1.246 17.727 19.000 -0.044 0.000 0.823 338 A HN 0.460 nan 8.150 nan 0.000 0.442 339 T N -0.206 114.232 114.554 -0.192 0.000 2.746 339 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 339 T C 1.867 176.402 174.700 -0.275 0.000 1.039 339 T CA 1.505 63.467 62.100 -0.230 0.000 1.142 339 T CB -0.513 68.186 68.868 -0.282 0.000 0.866 339 T HN 0.121 nan 8.240 nan 0.000 0.444 340 V N 1.648 121.329 119.914 -0.389 0.000 2.287 340 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 340 V C 2.908 178.898 176.094 -0.174 0.000 1.053 340 V CA 2.056 64.168 62.300 -0.312 0.000 1.027 340 V CB -1.466 30.185 31.823 -0.287 0.000 0.646 340 V HN 0.621 nan 8.190 nan 0.000 0.447 341 G N -0.975 107.743 108.800 -0.137 0.000 2.505 341 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.220 341 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.220 341 G C 1.616 176.467 174.900 -0.082 0.000 1.145 341 G CA 1.557 46.604 45.100 -0.087 0.000 0.761 341 G HN 0.425 nan 8.290 nan 0.000 0.571 342 M N 0.619 120.163 119.600 -0.093 0.000 2.073 342 M HA -0.045 4.435 4.480 -0.000 0.000 0.258 342 M C 2.627 178.884 176.300 -0.072 0.000 1.070 342 M CA 1.877 57.131 55.300 -0.077 0.000 1.103 342 M CB -0.489 32.061 32.600 -0.083 0.000 1.321 342 M HN 0.237 nan 8.290 nan 0.000 0.405 343 G N -0.064 108.683 108.800 -0.089 0.000 2.653 343 G HA2 0.016 3.975 3.960 -0.000 0.000 0.212 343 G HA3 0.016 3.975 3.960 -0.000 0.000 0.212 343 G C 0.626 175.488 174.900 -0.065 0.000 1.138 343 G CA 0.121 45.174 45.100 -0.079 0.000 0.782 343 G HN 0.232 nan 8.290 nan 0.000 0.535 344 I N 0.000 120.533 120.570 -0.061 0.000 2.984 344 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 344 I CA 0.000 61.271 61.300 -0.048 0.000 1.566 344 I CB 0.000 37.971 38.000 -0.048 0.000 1.214 344 I HN 0.000 nan 8.210 nan 0.000 0.494