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 1ve5_1_A DATA FIRST_RESID 2 DATA SEQUENCE PSLQDLYAAF RRIAPYTHRT PLLTSRLLDG LLGKRLLLKA EHLQKTGSFK DATA SEQUENCE ARGALSKALA LENPKGLLAV SSGNHAQGVA YAAQVLGVKA LVVMPEDXXP DATA SEQUENCE YKKACARAYG AEVVDRGVTA KNREEVARAL QEETGYALIH PFDDPLVIAG DATA SEQUENCE QGTAGLELLA QAGRMGVFPG AVLAPVGGGG LLAGLATAVK ALSPTTLVLG DATA SEQUENCE VEPEAADDAK RSLEAGRILR LEAPPRTRAD GVRTLSLGER TFPILRERVD DATA SEQUENCE GILTVSEEAL LEAERLLFTR TKQVVEPTGA LPLAAVLEHG ARLPQTLALL DATA SEQUENCE LSGGNRDFSP 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.321 177.300 0.035 0.000 1.155 2 P CA 0.000 63.123 63.100 0.038 0.000 0.800 2 P CB 0.000 31.730 31.700 0.049 0.000 0.726 3 S N -1.038 114.687 115.700 0.040 0.000 2.690 3 S HA 0.374 4.604 4.470 -0.400 0.000 0.291 3 S C 0.850 175.481 174.600 0.051 0.000 1.138 3 S CA -0.450 57.773 58.200 0.038 0.000 1.013 3 S CB 0.839 64.061 63.200 0.036 0.000 1.053 3 S HN 0.524 nan 8.310 nan 0.000 0.539 4 L N 3.317 124.566 121.223 0.044 0.000 2.083 4 L HA -0.052 4.048 4.340 -0.400 0.000 0.209 4 L C 2.307 179.230 176.870 0.088 0.000 1.083 4 L CA 1.885 56.758 54.840 0.055 0.000 0.752 4 L CB -0.767 41.311 42.059 0.031 0.000 0.899 4 L HN 0.819 nan 8.230 nan 0.000 0.433 5 Q N -0.806 119.040 119.800 0.076 0.000 2.167 5 Q HA -0.187 3.913 4.340 -0.400 0.000 0.202 5 Q C 1.737 177.823 176.000 0.144 0.000 0.970 5 Q CA 1.491 57.359 55.803 0.108 0.000 0.855 5 Q CB -0.268 28.511 28.738 0.069 0.000 0.911 5 Q HN 0.598 nan 8.270 nan 0.000 0.438 6 D N 0.770 121.232 120.400 0.104 0.000 2.117 6 D HA -0.138 4.261 4.640 -0.400 0.000 0.197 6 D C 1.977 178.350 176.300 0.121 0.000 0.987 6 D CA 0.789 54.849 54.000 0.100 0.000 0.829 6 D CB 0.027 40.871 40.800 0.074 0.000 0.961 6 D HN 0.140 nan 8.370 nan 0.000 0.460 7 L N 0.141 121.440 121.223 0.127 0.000 2.012 7 L HA -0.214 3.886 4.340 -0.400 0.000 0.210 7 L C 2.453 179.437 176.870 0.189 0.000 1.073 7 L CA 1.435 56.357 54.840 0.136 0.000 0.748 7 L CB -1.286 40.840 42.059 0.110 0.000 0.891 7 L HN 0.132 nan 8.230 nan 0.000 0.431 8 Y N 0.716 121.076 120.300 0.101 0.000 2.224 8 Y HA -0.236 4.074 4.550 -0.401 0.000 0.289 8 Y C 2.502 178.518 175.900 0.193 0.000 1.146 8 Y CA 1.592 59.783 58.100 0.152 0.000 1.182 8 Y CB -0.145 38.375 38.460 0.100 0.000 0.983 8 Y HN 0.151 nan 8.280 nan 0.000 0.524 9 A N 0.286 123.228 122.820 0.203 0.000 1.902 9 A HA -0.126 3.953 4.320 -0.400 0.000 0.217 9 A C 2.432 180.040 177.584 0.040 0.000 1.181 9 A CA 1.876 53.975 52.037 0.104 0.000 0.623 9 A CB -1.488 17.582 19.000 0.117 0.000 0.818 9 A HN 0.574 nan 8.150 nan 0.000 0.443 10 A N -1.008 121.859 122.820 0.079 0.000 1.902 10 A HA -0.063 4.017 4.320 -0.400 0.000 0.217 10 A C 2.032 179.656 177.584 0.066 0.000 1.181 10 A CA 1.698 53.779 52.037 0.073 0.000 0.623 10 A CB -0.772 18.289 19.000 0.103 0.000 0.818 10 A HN 0.716 nan 8.150 nan 0.000 0.443 11 F N 0.752 120.649 119.950 -0.088 0.000 2.065 11 F HA -0.223 4.068 4.527 -0.394 0.000 0.298 11 F C 2.318 178.015 175.800 -0.172 0.000 1.112 11 F CA 2.206 60.124 58.000 -0.135 0.000 1.212 11 F CB -0.505 38.360 39.000 -0.224 0.000 0.975 11 F HN 0.231 nan 8.300 nan 0.000 0.476 12 R N 0.186 120.448 120.500 -0.398 0.000 2.091 12 R HA -0.167 3.933 4.340 -0.400 0.000 0.238 12 R C 2.527 178.659 176.300 -0.281 0.000 1.136 12 R CA 1.743 57.581 56.100 -0.437 0.000 0.959 12 R CB -0.247 29.894 30.300 -0.265 0.000 0.856 12 R HN 0.282 nan 8.270 nan 0.000 0.437 13 R N 0.280 120.693 120.500 -0.144 0.000 2.073 13 R HA -0.111 3.989 4.340 -0.400 0.000 0.234 13 R C 2.381 178.673 176.300 -0.013 0.000 1.134 13 R CA 1.943 58.011 56.100 -0.053 0.000 0.952 13 R CB -0.362 29.933 30.300 -0.008 0.000 0.850 13 R HN 0.461 nan 8.270 nan 0.000 0.433 14 I N -3.070 117.474 120.570 -0.043 0.000 3.427 14 I HA 0.198 4.128 4.170 -0.400 0.000 0.288 14 I C 2.186 178.265 176.117 -0.063 0.000 1.249 14 I CA 0.662 61.986 61.300 0.040 0.000 1.421 14 I CB -0.210 37.830 38.000 0.067 0.000 1.086 14 I HN -0.100 nan 8.210 nan 0.000 0.448 15 A N 3.359 125.987 122.820 -0.319 0.000 1.896 15 A HA -0.171 3.908 4.320 -0.400 0.000 0.220 15 A C 0.479 177.888 177.584 -0.292 0.000 1.206 15 A CA 2.505 54.284 52.037 -0.430 0.000 0.647 15 A CB -2.338 16.175 19.000 -0.810 0.000 0.828 15 A HN 0.526 nan 8.150 nan 0.000 0.455 16 P HA -0.088 nan 4.420 nan 0.000 0.230 16 P C 0.161 177.090 177.300 -0.618 0.000 1.158 16 P CA 1.046 63.811 63.100 -0.558 0.000 0.769 16 P CB -0.214 31.027 31.700 -0.764 0.000 0.807 17 Y N -0.312 119.973 120.300 -0.025 0.000 2.481 17 Y HA 0.191 4.501 4.550 -0.401 0.000 0.247 17 Y C 1.357 177.301 175.900 0.073 0.000 1.151 17 Y CA -0.269 57.853 58.100 0.037 0.000 1.238 17 Y CB 0.204 38.657 38.460 -0.011 0.000 1.179 17 Y HN -0.063 nan 8.280 nan 0.000 0.524 18 T N -3.268 111.345 114.554 0.098 0.000 2.907 18 T HA 0.487 4.597 4.350 -0.400 0.000 0.290 18 T C -0.905 173.821 174.700 0.044 0.000 1.066 18 T CA -0.814 61.303 62.100 0.029 0.000 1.012 18 T CB 1.609 70.532 68.868 0.092 0.000 1.184 18 T HN 0.124 nan 8.240 nan 0.000 0.522 19 H N -0.099 119.009 119.070 0.063 0.000 2.472 19 H HA 0.478 4.793 4.556 -0.401 0.000 0.335 19 H C 0.230 175.596 175.328 0.063 0.000 1.136 19 H CA -1.303 54.770 56.048 0.042 0.000 1.264 19 H CB 0.979 30.749 29.762 0.013 0.000 1.486 19 H HN 0.128 nan 8.280 nan 0.000 0.517 20 R N 2.466 123.080 120.500 0.190 0.000 2.593 20 R HA 0.078 4.178 4.340 -0.400 0.000 0.282 20 R C -0.182 176.169 176.300 0.086 0.000 1.300 20 R CA -0.356 55.828 56.100 0.139 0.000 1.221 20 R CB -0.430 29.941 30.300 0.118 0.000 1.157 20 R HN 0.701 nan 8.270 nan 0.000 0.555 21 T N 0.764 115.371 114.554 0.089 0.000 2.940 21 T HA 0.176 4.286 4.350 -0.400 0.000 0.309 21 T C -1.758 172.949 174.700 0.012 0.000 1.056 21 T CA -1.232 60.889 62.100 0.036 0.000 1.137 21 T CB 0.678 69.568 68.868 0.036 0.000 0.976 21 T HN 0.262 nan 8.240 nan 0.000 0.547 22 P HA 0.172 nan 4.420 nan 0.000 0.272 22 P C -0.546 176.756 177.300 0.003 0.000 1.230 22 P CA -0.627 62.467 63.100 -0.010 0.000 0.788 22 P CB 0.711 32.398 31.700 -0.020 0.000 0.949 23 L N 2.883 124.105 121.223 -0.001 0.000 2.287 23 L HA 0.300 4.400 4.340 -0.400 0.000 0.280 23 L C 0.137 177.009 176.870 0.003 0.000 1.055 23 L CA -0.768 54.072 54.840 0.000 0.000 0.863 23 L CB -0.051 41.998 42.059 -0.017 0.000 1.245 23 L HN 0.280 nan 8.230 nan 0.000 0.432 24 L N 3.289 124.525 121.223 0.021 0.000 2.395 24 L HA 0.412 4.512 4.340 -0.400 0.000 0.269 24 L C 0.582 177.462 176.870 0.016 0.000 1.133 24 L CA -0.198 54.656 54.840 0.024 0.000 0.812 24 L CB 1.349 43.438 42.059 0.051 0.000 1.125 24 L HN 0.525 nan 8.230 nan 0.000 0.452 25 T N -1.348 113.212 114.554 0.009 0.000 2.893 25 T HA 0.531 4.641 4.350 -0.400 0.000 0.293 25 T C -0.576 174.128 174.700 0.007 0.000 1.027 25 T CA -0.776 61.327 62.100 0.005 0.000 0.988 25 T CB 1.896 70.762 68.868 -0.004 0.000 1.043 25 T HN 0.455 nan 8.240 nan 0.000 0.461 26 S N 0.941 116.646 115.700 0.008 0.000 2.647 26 S HA 0.359 4.589 4.470 -0.400 0.000 0.300 26 S C 1.101 175.705 174.600 0.006 0.000 1.129 26 S CA -0.895 57.309 58.200 0.008 0.000 1.029 26 S CB 1.027 64.234 63.200 0.011 0.000 1.007 26 S HN 0.685 nan 8.310 nan 0.000 0.484 27 R N 3.252 123.754 120.500 0.005 0.000 2.083 27 R HA -0.047 4.053 4.340 -0.400 0.000 0.237 27 R C 1.798 178.102 176.300 0.006 0.000 1.137 27 R CA 1.319 57.422 56.100 0.005 0.000 0.951 27 R CB -0.958 29.345 30.300 0.003 0.000 0.851 27 R HN 0.688 nan 8.270 nan 0.000 0.434 28 L N 0.727 121.954 121.223 0.007 0.000 1.971 28 L HA -0.234 3.866 4.340 -0.400 0.000 0.215 28 L C 2.642 179.519 176.870 0.010 0.000 1.072 28 L CA 1.475 56.321 54.840 0.009 0.000 0.758 28 L CB -0.599 41.466 42.059 0.009 0.000 0.889 28 L HN 0.172 nan 8.230 nan 0.000 0.433 29 L N -0.586 120.644 121.223 0.012 0.000 2.012 29 L HA -0.266 3.834 4.340 -0.400 0.000 0.210 29 L C 2.226 179.103 176.870 0.012 0.000 1.073 29 L CA 1.420 56.268 54.840 0.013 0.000 0.748 29 L CB -0.732 41.336 42.059 0.015 0.000 0.891 29 L HN 0.299 nan 8.230 nan 0.000 0.431 30 D N 0.046 120.452 120.400 0.010 0.000 2.182 30 D HA -0.150 4.250 4.640 -0.400 0.000 0.201 30 D C 2.038 178.344 176.300 0.009 0.000 0.986 30 D CA 1.363 55.369 54.000 0.010 0.000 0.847 30 D CB -0.276 40.529 40.800 0.008 0.000 0.942 30 D HN 0.360 nan 8.370 nan 0.000 0.467 31 G N 0.323 109.128 108.800 0.009 0.000 2.434 31 G HA2 -0.159 3.560 3.960 -0.400 0.000 0.214 31 G HA3 -0.159 3.560 3.960 -0.400 0.000 0.214 31 G C 1.648 176.553 174.900 0.008 0.000 1.202 31 G CA 0.345 45.450 45.100 0.008 0.000 0.788 31 G HN 0.221 nan 8.290 nan 0.000 0.539 32 L N 0.220 121.448 121.223 0.009 0.000 1.951 32 L HA -0.059 4.041 4.340 -0.400 0.000 0.222 32 L C 1.385 178.260 176.870 0.009 0.000 1.078 32 L CA 0.531 55.377 54.840 0.009 0.000 0.778 32 L CB -0.876 41.190 42.059 0.011 0.000 0.893 32 L HN 0.105 nan 8.230 nan 0.000 0.436 33 L N -0.324 120.905 121.223 0.011 0.000 2.476 33 L HA 0.142 4.241 4.340 -0.400 0.000 0.255 33 L C 1.048 177.925 176.870 0.011 0.000 1.218 33 L CA 0.599 55.446 54.840 0.011 0.000 0.819 33 L CB -0.354 41.714 42.059 0.014 0.000 1.119 33 L HN 0.117 nan 8.230 nan 0.000 0.485 34 G N 1.188 109.995 108.800 0.011 0.000 4.420 34 G HA2 0.305 4.025 3.960 -0.400 0.000 0.299 34 G HA3 0.305 4.025 3.960 -0.400 0.000 0.299 34 G C 0.269 175.177 174.900 0.013 0.000 1.343 34 G CA -0.250 44.857 45.100 0.011 0.000 1.272 34 G HN 0.364 nan 8.290 nan 0.000 0.610 35 K N -0.010 120.398 120.400 0.013 0.000 2.433 35 K HA 0.475 4.554 4.320 -0.400 0.000 0.252 35 K C -0.901 175.706 176.600 0.012 0.000 1.015 35 K CA -1.096 55.199 56.287 0.014 0.000 0.860 35 K CB 2.351 34.861 32.500 0.017 0.000 1.359 35 K HN 0.163 nan 8.250 nan 0.000 0.452 36 R N 1.831 122.338 120.500 0.012 0.000 2.239 36 R HA 0.376 4.476 4.340 -0.400 0.000 0.332 36 R C -0.816 175.488 176.300 0.007 0.000 0.988 36 R CA -0.337 55.768 56.100 0.008 0.000 0.859 36 R CB 0.141 30.446 30.300 0.008 0.000 1.148 36 R HN 0.450 nan 8.270 nan 0.000 0.482 37 L N 6.217 127.444 121.223 0.007 0.000 2.282 37 L HA 0.450 4.549 4.340 -0.400 0.000 0.288 37 L C -0.460 176.412 176.870 0.003 0.000 1.033 37 L CA -0.822 54.023 54.840 0.007 0.000 0.807 37 L CB 1.589 43.656 42.059 0.012 0.000 1.209 37 L HN 0.450 nan 8.230 nan 0.000 0.423 38 L N 5.402 126.625 121.223 0.001 0.000 2.280 38 L HA 0.476 4.576 4.340 -0.400 0.000 0.287 38 L C -0.533 176.342 176.870 0.009 0.000 1.023 38 L CA -0.418 54.420 54.840 -0.004 0.000 0.819 38 L CB 1.284 43.332 42.059 -0.019 0.000 1.212 38 L HN 0.472 nan 8.230 nan 0.000 0.420 39 L N 3.897 125.132 121.223 0.020 0.000 2.264 39 L HA 0.378 4.478 4.340 -0.400 0.000 0.287 39 L C 0.064 176.965 176.870 0.052 0.000 1.039 39 L CA -0.698 54.166 54.840 0.040 0.000 0.829 39 L CB 1.001 43.093 42.059 0.054 0.000 1.211 39 L HN 0.421 nan 8.230 nan 0.000 0.427 40 K N 3.422 123.851 120.400 0.048 0.000 2.292 40 K HA 0.293 4.373 4.320 -0.400 0.000 0.290 40 K C 0.418 177.075 176.600 0.094 0.000 1.083 40 K CA -0.086 56.231 56.287 0.050 0.000 0.918 40 K CB 0.945 33.462 32.500 0.029 0.000 1.089 40 K HN 0.620 nan 8.250 nan 0.000 0.473 41 A N 5.421 128.294 122.820 0.089 0.000 3.051 41 A HA 0.068 4.148 4.320 -0.400 0.000 0.257 41 A C 0.502 178.092 177.584 0.009 0.000 1.785 41 A CA -0.177 51.917 52.037 0.095 0.000 1.420 41 A CB -0.407 18.563 19.000 -0.050 0.000 1.063 41 A HN 0.790 nan 8.150 nan 0.000 0.630 42 E N 0.103 120.380 120.200 0.128 0.000 2.472 42 E HA -0.164 3.946 4.350 -0.400 0.000 0.200 42 E C 1.303 177.988 176.600 0.142 0.000 1.046 42 E CA 1.224 57.709 56.400 0.141 0.000 0.871 42 E CB -0.275 29.563 29.700 0.230 0.000 0.806 42 E HN 1.076 nan 8.360 nan 0.000 0.533 43 H N -1.434 117.700 119.070 0.108 0.000 2.524 43 H HA 0.078 4.393 4.556 -0.401 0.000 0.282 43 H C 1.706 177.085 175.328 0.084 0.000 1.016 43 H CA 0.631 56.735 56.048 0.094 0.000 1.270 43 H CB -0.269 29.544 29.762 0.086 0.000 1.394 43 H HN 0.052 nan 8.280 nan 0.000 0.568 44 L N 0.236 121.221 121.223 -0.396 0.000 2.592 44 L HA 0.109 4.209 4.340 -0.400 0.000 0.227 44 L C 0.795 177.674 176.870 0.015 0.000 1.127 44 L CA -0.295 54.404 54.840 -0.235 0.000 0.884 44 L CB -0.016 41.845 42.059 -0.331 0.000 1.065 44 L HN 0.266 nan 8.230 nan 0.000 0.457 45 Q N 1.520 121.339 119.800 0.033 0.000 2.417 45 Q HA 0.063 4.162 4.340 -0.400 0.000 0.241 45 Q C -0.006 175.980 176.000 -0.023 0.000 1.008 45 Q CA -0.008 55.831 55.803 0.061 0.000 0.901 45 Q CB 0.744 29.519 28.738 0.062 0.000 1.259 45 Q HN -0.146 nan 8.270 nan 0.000 0.489 46 K N 0.815 121.103 120.400 -0.186 0.000 2.524 46 K HA -0.019 4.061 4.320 -0.400 0.000 0.279 46 K C 0.143 176.575 176.600 -0.280 0.000 0.993 46 K CA 1.537 57.621 56.287 -0.339 0.000 1.030 46 K CB -0.103 32.064 32.500 -0.555 0.000 0.891 46 K HN 0.895 nan 8.250 nan 0.000 0.488 47 T N 0.201 114.610 114.554 -0.241 0.000 6.412 47 T HA -0.226 3.884 4.350 -0.400 0.000 0.279 47 T C 1.111 175.752 174.700 -0.098 0.000 2.177 47 T CA 1.752 63.719 62.100 -0.221 0.000 3.599 47 T CB -2.273 66.320 68.868 -0.458 0.000 1.259 47 T HN 1.679 nan 8.240 nan 0.000 1.146 48 G N -0.351 108.424 108.800 -0.041 0.000 2.176 48 G HA2 0.188 3.908 3.960 -0.400 0.000 0.232 48 G HA3 0.188 3.908 3.960 -0.400 0.000 0.232 48 G C 0.450 175.372 174.900 0.037 0.000 0.986 48 G CA 1.031 46.146 45.100 0.025 0.000 0.643 48 G HN 2.612 nan 8.290 nan 0.000 0.522 49 S N -1.135 114.554 115.700 -0.018 0.000 2.615 49 S HA 0.655 4.884 4.470 -0.400 0.000 0.269 49 S C 0.749 175.334 174.600 -0.026 0.000 1.161 49 S CA 0.065 58.263 58.200 -0.003 0.000 0.817 49 S CB 0.546 63.677 63.200 -0.115 0.000 1.131 49 S HN 1.387 nan 8.310 nan 0.000 0.467 50 F N 0.887 120.867 119.950 0.051 0.000 2.333 50 F HA 0.270 4.559 4.527 -0.397 0.000 0.300 50 F C 1.772 177.610 175.800 0.063 0.000 1.083 50 F CA 0.843 58.877 58.000 0.057 0.000 1.395 50 F CB -0.592 38.447 39.000 0.065 0.000 1.056 50 F HN 0.567 nan 8.300 nan 0.000 0.529 51 K N 0.989 120.886 120.400 -0.839 0.000 2.360 51 K HA -0.114 3.966 4.320 -0.400 0.000 0.201 51 K C 2.297 178.813 176.600 -0.140 0.000 1.046 51 K CA 0.877 56.861 56.287 -0.506 0.000 0.940 51 K CB -0.447 31.771 32.500 -0.470 0.000 0.748 51 K HN 0.486 nan 8.250 nan 0.000 0.465 52 A N 1.533 124.294 122.820 -0.098 0.000 1.972 52 A HA -0.182 3.898 4.320 -0.400 0.000 0.219 52 A C 2.000 179.624 177.584 0.068 0.000 1.169 52 A CA 1.135 53.172 52.037 -0.001 0.000 0.635 52 A CB -0.261 18.747 19.000 0.013 0.000 0.810 52 A HN 0.244 nan 8.150 nan 0.000 0.446 53 R N -0.872 119.689 120.500 0.102 0.000 2.070 53 R HA -0.091 4.009 4.340 -0.400 0.000 0.232 53 R C 2.499 178.878 176.300 0.132 0.000 1.138 53 R CA 1.318 57.504 56.100 0.143 0.000 0.936 53 R CB -0.861 29.562 30.300 0.205 0.000 0.839 53 R HN 0.496 nan 8.270 nan 0.000 0.429 54 G N 0.836 109.734 108.800 0.162 0.000 2.446 54 G HA2 -0.305 3.415 3.960 -0.400 0.000 0.217 54 G HA3 -0.305 3.415 3.960 -0.400 0.000 0.217 54 G C 1.591 176.560 174.900 0.114 0.000 1.168 54 G CA 0.968 46.164 45.100 0.161 0.000 0.771 54 G HN 0.436 nan 8.290 nan 0.000 0.551 55 A N 0.594 123.461 122.820 0.079 0.000 1.865 55 A HA 0.011 4.090 4.320 -0.400 0.000 0.217 55 A C 2.477 180.048 177.584 -0.023 0.000 1.191 55 A CA 1.547 53.589 52.037 0.009 0.000 0.623 55 A CB -0.543 18.394 19.000 -0.105 0.000 0.826 55 A HN 0.360 nan 8.150 nan 0.000 0.444 56 L N -0.705 120.504 121.223 -0.024 0.000 2.083 56 L HA -0.158 3.942 4.340 -0.400 0.000 0.209 56 L C 2.935 179.792 176.870 -0.022 0.000 1.083 56 L CA 1.417 56.221 54.840 -0.059 0.000 0.752 56 L CB -0.389 41.652 42.059 -0.030 0.000 0.899 56 L HN 0.526 nan 8.230 nan 0.000 0.433 57 S N -0.011 115.705 115.700 0.026 0.000 2.359 57 S HA -0.265 3.965 4.470 -0.400 0.000 0.224 57 S C 2.065 176.679 174.600 0.023 0.000 1.035 57 S CA 1.980 60.203 58.200 0.038 0.000 1.018 57 S CB -0.031 63.213 63.200 0.072 0.000 0.876 57 S HN 0.243 nan 8.310 nan 0.000 0.448 58 K N 1.307 121.723 120.400 0.026 0.000 2.044 58 K HA 0.281 4.361 4.320 -0.400 0.000 0.204 58 K C 2.094 178.686 176.600 -0.014 0.000 1.049 58 K CA 1.423 57.721 56.287 0.018 0.000 0.945 58 K CB -1.008 31.516 32.500 0.039 0.000 0.724 58 K HN 0.299 nan 8.250 nan 0.000 0.440 59 A N 0.732 123.528 122.820 -0.040 0.000 1.933 59 A HA -0.083 3.996 4.320 -0.400 0.000 0.218 59 A C 2.147 179.677 177.584 -0.090 0.000 1.175 59 A CA 1.554 53.543 52.037 -0.080 0.000 0.628 59 A CB -0.699 18.225 19.000 -0.125 0.000 0.814 59 A HN 0.329 nan 8.150 nan 0.000 0.444 60 L N -1.181 119.992 121.223 -0.084 0.000 2.291 60 L HA -0.067 4.032 4.340 -0.400 0.000 0.214 60 L C 2.716 179.560 176.870 -0.043 0.000 1.120 60 L CA 0.720 55.514 54.840 -0.077 0.000 0.799 60 L CB -0.293 41.733 42.059 -0.056 0.000 0.925 60 L HN 0.429 nan 8.230 nan 0.000 0.446 61 A N -0.417 122.386 122.820 -0.028 0.000 2.178 61 A HA 0.189 4.269 4.320 -0.400 0.000 0.211 61 A C 1.063 178.636 177.584 -0.018 0.000 1.157 61 A CA -0.056 51.973 52.037 -0.013 0.000 0.780 61 A CB -0.149 18.851 19.000 0.001 0.000 0.828 61 A HN 0.211 nan 8.150 nan 0.000 0.476 62 L N 0.840 122.044 121.223 -0.031 0.000 2.397 62 L HA 0.202 4.302 4.340 -0.400 0.000 0.271 62 L C 0.186 177.035 176.870 -0.036 0.000 1.148 62 L CA -0.145 54.676 54.840 -0.032 0.000 0.825 62 L CB 0.727 42.760 42.059 -0.043 0.000 1.117 62 L HN 0.289 nan 8.230 nan 0.000 0.456 63 E N 3.053 123.237 120.200 -0.028 0.000 2.197 63 E HA 0.122 4.231 4.350 -0.400 0.000 0.281 63 E C -0.476 176.105 176.600 -0.033 0.000 0.995 63 E CA -0.563 55.821 56.400 -0.027 0.000 0.808 63 E CB 0.777 30.467 29.700 -0.017 0.000 1.093 63 E HN 0.473 nan 8.360 nan 0.000 0.394 64 N N 2.719 121.395 118.700 -0.039 0.000 2.689 64 N HA -0.137 4.363 4.740 -0.400 0.000 0.263 64 N C -2.482 172.995 175.510 -0.055 0.000 0.987 64 N CA 0.308 53.332 53.050 -0.044 0.000 0.782 64 N CB -1.125 37.344 38.487 -0.031 0.000 0.903 64 N HN 0.365 nan 8.380 nan 0.000 0.547 65 P HA 0.056 nan 4.420 nan 0.000 0.269 65 P C 0.969 178.189 177.300 -0.132 0.000 1.209 65 P CA -0.050 62.990 63.100 -0.099 0.000 0.776 65 P CB 0.836 32.464 31.700 -0.120 0.000 0.876 66 K N 0.812 121.120 120.400 -0.154 0.000 2.352 66 K HA 0.285 4.365 4.320 -0.400 0.000 0.194 66 K C 0.475 176.742 176.600 -0.555 0.000 1.038 66 K CA 0.360 56.531 56.287 -0.194 0.000 1.023 66 K CB 0.153 32.637 32.500 -0.027 0.000 0.840 66 K HN 0.730 nan 8.250 nan 0.000 0.519 67 G N 0.197 108.582 108.800 -0.692 0.000 2.339 67 G HA2 0.194 3.914 3.960 -0.400 0.000 0.302 67 G HA3 0.194 3.914 3.960 -0.400 0.000 0.302 67 G C -1.976 172.569 174.900 -0.590 0.000 1.425 67 G CA -0.974 43.466 45.100 -1.099 0.000 0.899 67 G HN 0.012 nan 8.290 nan 0.000 0.619 68 L N 0.074 121.110 121.223 -0.312 0.000 2.334 68 L HA 0.823 4.923 4.340 -0.400 0.000 0.273 68 L C -0.315 176.624 176.870 0.115 0.000 1.013 68 L CA -0.973 53.829 54.840 -0.063 0.000 0.816 68 L CB 2.095 44.100 42.059 -0.090 0.000 1.278 68 L HN 0.561 nan 8.230 nan 0.000 0.431 69 L N 2.050 123.342 121.223 0.116 0.000 2.401 69 L HA 0.933 5.033 4.340 -0.400 0.000 0.266 69 L C -1.057 175.854 176.870 0.069 0.000 0.991 69 L CA -0.249 54.663 54.840 0.120 0.000 0.818 69 L CB 2.038 44.176 42.059 0.132 0.000 1.321 69 L HN 0.801 nan 8.230 nan 0.000 0.413 70 A N 3.543 126.395 122.820 0.053 0.000 2.574 70 A HA 0.713 4.793 4.320 -0.400 0.000 0.297 70 A C -1.734 175.881 177.584 0.052 0.000 1.062 70 A CA -0.461 51.615 52.037 0.066 0.000 0.686 70 A CB 2.037 21.056 19.000 0.033 0.000 1.285 70 A HN 0.360 nan 8.150 nan 0.000 0.403 71 V N 1.598 121.543 119.914 0.051 0.000 2.284 71 V HA 0.684 4.564 4.120 -0.400 0.000 0.274 71 V C 0.130 176.238 176.094 0.024 0.000 1.023 71 V CA -0.232 62.081 62.300 0.021 0.000 0.808 71 V CB 0.424 32.247 31.823 -0.000 0.000 1.035 71 V HN 0.939 nan 8.190 nan 0.000 0.445 72 S N 2.607 118.331 115.700 0.041 0.000 2.546 72 S HA 0.527 4.756 4.470 -0.400 0.000 0.274 72 S C 0.538 175.150 174.600 0.020 0.000 1.121 72 S CA 0.052 58.279 58.200 0.045 0.000 0.887 72 S CB 2.253 65.523 63.200 0.117 0.000 1.094 72 S HN 0.802 nan 8.310 nan 0.000 0.474 73 S N 2.139 117.849 115.700 0.017 0.000 2.573 73 S HA 0.610 4.840 4.470 -0.400 0.000 0.244 73 S C 0.831 175.431 174.600 -0.001 0.000 0.984 73 S CA 0.071 58.276 58.200 0.009 0.000 1.001 73 S CB 0.101 63.310 63.200 0.015 0.000 0.788 73 S HN 1.204 nan 8.310 nan 0.000 0.456 74 G N 2.078 110.873 108.800 -0.008 0.000 2.825 74 G HA2 0.155 3.874 3.960 -0.400 0.000 0.100 74 G HA3 0.155 3.874 3.960 -0.400 0.000 0.100 74 G C 0.072 174.941 174.900 -0.053 0.000 1.195 74 G CA -0.383 44.698 45.100 -0.030 0.000 1.317 74 G HN 0.251 nan 8.290 nan 0.000 0.632 75 N N -0.391 118.277 118.700 -0.053 0.000 2.205 75 N HA -0.140 4.360 4.740 -0.400 0.000 0.186 75 N C 1.883 177.325 175.510 -0.113 0.000 1.015 75 N CA 1.387 54.377 53.050 -0.101 0.000 0.862 75 N CB -0.109 38.306 38.487 -0.120 0.000 0.986 75 N HN 0.504 nan 8.380 nan 0.000 0.429 76 H N 0.822 119.802 119.070 -0.151 0.000 2.387 76 H HA 0.039 4.354 4.556 -0.401 0.000 0.299 76 H C 1.941 177.193 175.328 -0.125 0.000 1.090 76 H CA 1.517 57.481 56.048 -0.141 0.000 1.332 76 H CB -0.186 29.516 29.762 -0.099 0.000 1.386 76 H HN 0.244 nan 8.280 nan 0.000 0.516 77 A N 0.397 123.143 122.820 -0.124 0.000 1.883 77 A HA -0.257 3.823 4.320 -0.400 0.000 0.217 77 A C 2.291 179.743 177.584 -0.220 0.000 1.186 77 A CA 1.930 53.873 52.037 -0.157 0.000 0.624 77 A CB -0.596 18.355 19.000 -0.081 0.000 0.822 77 A HN 0.660 nan 8.150 nan 0.000 0.444 78 Q N -0.847 118.804 119.800 -0.247 0.000 2.119 78 Q HA -0.082 4.017 4.340 -0.400 0.000 0.201 78 Q C 2.245 177.979 176.000 -0.444 0.000 0.972 78 Q CA 1.100 56.666 55.803 -0.394 0.000 0.847 78 Q CB -0.451 28.036 28.738 -0.420 0.000 0.903 78 Q HN 0.690 nan 8.270 nan 0.000 0.433 79 G N 0.479 109.071 108.800 -0.346 0.000 2.459 79 G HA2 -0.244 3.476 3.960 -0.400 0.000 0.217 79 G HA3 -0.244 3.476 3.960 -0.400 0.000 0.217 79 G C 1.522 176.276 174.900 -0.243 0.000 1.183 79 G CA 1.005 45.946 45.100 -0.265 0.000 0.776 79 G HN 0.218 nan 8.290 nan 0.000 0.552 80 V N 1.648 121.345 119.914 -0.362 0.000 2.343 80 V HA -0.148 3.732 4.120 -0.400 0.000 0.247 80 V C 3.346 179.333 176.094 -0.178 0.000 1.051 80 V CA 2.066 64.194 62.300 -0.288 0.000 1.036 80 V CB -0.923 30.700 31.823 -0.334 0.000 0.654 80 V HN 0.494 nan 8.190 nan 0.000 0.451 81 A N -0.807 121.922 122.820 -0.152 0.000 1.902 81 A HA -0.279 3.801 4.320 -0.400 0.000 0.217 81 A C 2.188 179.780 177.584 0.014 0.000 1.181 81 A CA 2.177 54.184 52.037 -0.050 0.000 0.623 81 A CB -0.761 18.240 19.000 0.001 0.000 0.818 81 A HN 0.643 nan 8.150 nan 0.000 0.443 82 Y N 0.717 120.904 120.300 -0.189 0.000 2.163 82 Y HA -0.043 4.267 4.550 -0.401 0.000 0.288 82 Y C 2.637 178.475 175.900 -0.104 0.000 1.136 82 Y CA 1.011 59.056 58.100 -0.091 0.000 1.147 82 Y CB -0.865 37.462 38.460 -0.223 0.000 0.987 82 Y HN 0.297 nan 8.280 nan 0.000 0.509 83 A N 0.764 123.391 122.820 -0.322 0.000 1.908 83 A HA -0.167 3.913 4.320 -0.400 0.000 0.218 83 A C 2.462 179.842 177.584 -0.340 0.000 1.181 83 A CA 2.225 54.018 52.037 -0.406 0.000 0.627 83 A CB -1.534 17.317 19.000 -0.249 0.000 0.818 83 A HN 0.630 nan 8.150 nan 0.000 0.445 84 A N -1.064 121.622 122.820 -0.222 0.000 1.972 84 A HA -0.181 3.899 4.320 -0.400 0.000 0.219 84 A C 2.096 179.578 177.584 -0.169 0.000 1.169 84 A CA 1.567 53.498 52.037 -0.176 0.000 0.635 84 A CB -0.454 18.477 19.000 -0.115 0.000 0.810 84 A HN 0.677 nan 8.150 nan 0.000 0.446 85 Q N -0.617 119.087 119.800 -0.159 0.000 2.123 85 Q HA -0.081 4.019 4.340 -0.400 0.000 0.199 85 Q C 2.128 178.004 176.000 -0.206 0.000 0.966 85 Q CA 1.454 57.188 55.803 -0.116 0.000 0.845 85 Q CB -0.232 28.506 28.738 0.000 0.000 0.907 85 Q HN 0.514 nan 8.270 nan 0.000 0.439 86 V N 1.139 120.824 119.914 -0.382 0.000 2.295 86 V HA -0.252 3.628 4.120 -0.400 0.000 0.246 86 V C 2.139 178.018 176.094 -0.359 0.000 1.049 86 V CA 1.527 63.542 62.300 -0.476 0.000 1.024 86 V CB -0.441 30.887 31.823 -0.824 0.000 0.648 86 V HN 0.362 nan 8.190 nan 0.000 0.447 87 L N 0.094 121.129 121.223 -0.314 0.000 2.217 87 L HA 0.121 4.221 4.340 -0.400 0.000 0.211 87 L C 1.802 178.573 176.870 -0.165 0.000 1.107 87 L CA 1.149 55.852 54.840 -0.228 0.000 0.783 87 L CB -0.668 41.265 42.059 -0.209 0.000 0.919 87 L HN 0.621 nan 8.230 nan 0.000 0.442 88 G N 0.395 109.103 108.800 -0.153 0.000 2.132 88 G HA2 -0.216 3.504 3.960 -0.400 0.000 0.228 88 G HA3 -0.216 3.504 3.960 -0.400 0.000 0.228 88 G C 0.138 174.973 174.900 -0.108 0.000 1.000 88 G CA 0.156 45.191 45.100 -0.109 0.000 0.693 88 G HN 0.254 nan 8.290 nan 0.000 0.515 89 V N -3.827 116.006 119.914 -0.135 0.000 3.234 89 V HA 0.863 4.743 4.120 -0.400 0.000 0.317 89 V C 0.543 176.553 176.094 -0.141 0.000 1.147 89 V CA -1.625 60.581 62.300 -0.157 0.000 1.037 89 V CB 1.463 33.152 31.823 -0.223 0.000 1.148 89 V HN 0.226 nan 8.190 nan 0.000 0.455 90 K N 0.709 121.012 120.400 -0.163 0.000 2.118 90 K HA 0.767 4.847 4.320 -0.400 0.000 0.264 90 K C -0.383 176.175 176.600 -0.070 0.000 1.000 90 K CA -0.068 56.177 56.287 -0.070 0.000 0.929 90 K CB 1.647 34.168 32.500 0.036 0.000 1.021 90 K HN 1.064 nan 8.250 nan 0.000 0.463 91 A N 2.159 124.991 122.820 0.021 0.000 2.355 91 A HA 0.591 4.671 4.320 -0.400 0.000 0.317 91 A C -1.627 176.019 177.584 0.104 0.000 1.094 91 A CA -0.667 51.394 52.037 0.041 0.000 0.764 91 A CB 0.906 19.902 19.000 -0.007 0.000 1.230 91 A HN 0.485 nan 8.150 nan 0.000 0.448 92 L N 2.858 124.161 121.223 0.134 0.000 2.349 92 L HA 0.662 4.761 4.340 -0.400 0.000 0.278 92 L C -1.084 175.815 176.870 0.048 0.000 0.996 92 L CA -0.277 54.619 54.840 0.093 0.000 0.825 92 L CB 1.895 44.009 42.059 0.092 0.000 1.243 92 L HN 0.441 nan 8.230 nan 0.000 0.412 93 V N 5.535 125.462 119.914 0.023 0.000 2.487 93 V HA 0.527 4.406 4.120 -0.400 0.000 0.298 93 V C -0.506 175.592 176.094 0.007 0.000 1.028 93 V CA -0.757 61.548 62.300 0.010 0.000 0.860 93 V CB 2.088 33.907 31.823 -0.006 0.000 0.991 93 V HN 0.427 nan 8.190 nan 0.000 0.427 94 V N 6.794 126.713 119.914 0.008 0.000 2.370 94 V HA 0.586 4.465 4.120 -0.400 0.000 0.279 94 V C -0.038 176.059 176.094 0.006 0.000 1.029 94 V CA -0.168 62.134 62.300 0.005 0.000 0.870 94 V CB 1.286 33.112 31.823 0.004 0.000 0.984 94 V HN 0.850 nan 8.190 nan 0.000 0.451 95 M N 6.996 126.598 119.600 0.004 0.000 2.484 95 M HA 0.483 4.723 4.480 -0.400 0.000 0.289 95 M C -2.867 173.436 176.300 0.006 0.000 1.206 95 M CA -1.783 53.520 55.300 0.004 0.000 0.892 95 M CB 3.102 35.702 32.600 -0.001 0.000 1.712 95 M HN 0.283 nan 8.290 nan 0.000 0.462 96 P HA -0.031 nan 4.420 nan 0.000 0.268 96 P C -0.342 176.964 177.300 0.010 0.000 1.208 96 P CA 0.288 63.394 63.100 0.009 0.000 0.777 96 P CB 0.222 31.929 31.700 0.012 0.000 0.875 97 E N 0.116 120.322 120.200 0.010 0.000 2.505 97 E HA -0.045 4.064 4.350 -0.400 0.000 0.197 97 E C -0.312 176.298 176.600 0.016 0.000 1.111 97 E CA 0.140 56.547 56.400 0.012 0.000 0.887 97 E CB -0.200 29.506 29.700 0.010 0.000 0.913 97 E HN 0.276 nan 8.360 nan 0.000 0.517 102 Y N 0.204 120.524 120.300 0.033 0.000 2.458 102 Y HA 0.334 4.644 4.550 -0.401 0.000 0.254 102 Y C 1.448 177.373 175.900 0.043 0.000 1.120 102 Y CA 0.708 58.831 58.100 0.039 0.000 1.282 102 Y CB -0.485 38.003 38.460 0.047 0.000 1.109 102 Y HN 0.211 nan 8.280 nan 0.000 0.526 103 K N 1.424 121.452 120.400 -0.620 0.000 2.362 103 K HA -0.232 3.847 4.320 -0.400 0.000 0.202 103 K C 1.831 178.277 176.600 -0.258 0.000 1.045 103 K CA 1.792 57.728 56.287 -0.585 0.000 0.936 103 K CB -0.237 32.068 32.500 -0.325 0.000 0.747 103 K HN 0.432 nan 8.250 nan 0.000 0.467 104 K N 1.213 121.531 120.400 -0.136 0.000 2.167 104 K HA -0.011 4.068 4.320 -0.400 0.000 0.203 104 K C 2.172 178.752 176.600 -0.035 0.000 1.052 104 K CA 0.837 57.090 56.287 -0.056 0.000 0.956 104 K CB -0.086 32.405 32.500 -0.015 0.000 0.735 104 K HN 0.211 nan 8.250 nan 0.000 0.451 105 A N 0.935 123.735 122.820 -0.033 0.000 1.902 105 A HA -0.153 3.927 4.320 -0.400 0.000 0.217 105 A C 2.368 179.961 177.584 0.016 0.000 1.181 105 A CA 1.541 53.586 52.037 0.014 0.000 0.623 105 A CB -0.985 18.056 19.000 0.069 0.000 0.818 105 A HN 0.536 nan 8.150 nan 0.000 0.443 106 C N -1.114 118.172 119.300 -0.023 0.000 2.446 106 C HA 0.085 4.305 4.460 -0.400 0.000 0.277 106 C C 3.327 178.416 174.990 0.164 0.000 1.275 106 C CA 0.708 59.765 59.018 0.066 0.000 1.727 106 C CB -1.283 26.465 27.740 0.013 0.000 2.010 106 C HN 0.701 nan 8.230 nan 0.000 0.486 107 A N 0.822 123.675 122.820 0.055 0.000 1.877 107 A HA -0.199 3.880 4.320 -0.400 0.000 0.216 107 A C 2.204 179.851 177.584 0.105 0.000 1.186 107 A CA 1.452 53.526 52.037 0.062 0.000 0.620 107 A CB -0.528 18.465 19.000 -0.011 0.000 0.822 107 A HN 0.685 nan 8.150 nan 0.000 0.443 108 R N -0.444 120.093 120.500 0.062 0.000 2.189 108 R HA 0.013 4.113 4.340 -0.400 0.000 0.223 108 R C 2.340 178.670 176.300 0.050 0.000 1.092 108 R CA 0.876 57.006 56.100 0.050 0.000 0.989 108 R CB -0.421 29.896 30.300 0.029 0.000 0.876 108 R HN 0.521 nan 8.270 nan 0.000 0.457 109 A N 0.718 123.573 122.820 0.058 0.000 1.877 109 A HA -0.155 3.925 4.320 -0.400 0.000 0.216 109 A C 1.299 178.831 177.584 -0.087 0.000 1.186 109 A CA 1.031 53.051 52.037 -0.028 0.000 0.620 109 A CB -0.573 18.390 19.000 -0.062 0.000 0.822 109 A HN 0.303 nan 8.150 nan 0.000 0.443 110 Y N 0.020 120.318 120.300 -0.003 0.000 2.584 110 Y HA 0.285 4.594 4.550 -0.400 0.000 0.317 110 Y C 1.788 177.693 175.900 0.008 0.000 1.208 110 Y CA 0.398 58.506 58.100 0.013 0.000 1.299 110 Y CB -0.555 37.920 38.460 0.025 0.000 1.047 110 Y HN 0.486 nan 8.280 nan 0.000 0.506 111 G N -0.472 108.378 108.800 0.084 0.000 2.136 111 G HA2 -0.205 3.515 3.960 -0.400 0.000 0.242 111 G HA3 -0.205 3.515 3.960 -0.400 0.000 0.242 111 G C 0.264 175.196 174.900 0.054 0.000 0.989 111 G CA -0.031 45.099 45.100 0.051 0.000 0.682 111 G HN 0.657 nan 8.290 nan 0.000 0.522 112 A N -0.234 122.627 122.820 0.067 0.000 2.327 112 A HA 0.707 4.787 4.320 -0.400 0.000 0.283 112 A C 0.288 177.894 177.584 0.038 0.000 1.127 112 A CA -0.189 51.876 52.037 0.048 0.000 0.810 112 A CB 0.532 19.554 19.000 0.037 0.000 1.066 112 A HN 0.461 nan 8.150 nan 0.000 0.492 113 E N 0.725 120.948 120.200 0.038 0.000 2.259 113 E HA 0.419 4.528 4.350 -0.400 0.000 0.281 113 E C -1.048 175.564 176.600 0.021 0.000 1.027 113 E CA -0.316 56.102 56.400 0.029 0.000 0.838 113 E CB 1.564 31.284 29.700 0.033 0.000 1.066 113 E HN 0.335 nan 8.360 nan 0.000 0.401 114 V N 4.268 124.191 119.914 0.014 0.000 2.370 114 V HA 0.141 4.021 4.120 -0.400 0.000 0.283 114 V C -0.266 175.831 176.094 0.004 0.000 1.023 114 V CA -0.772 61.532 62.300 0.008 0.000 0.857 114 V CB 1.640 33.467 31.823 0.006 0.000 0.985 114 V HN 0.438 nan 8.190 nan 0.000 0.443 115 V N 4.809 124.724 119.914 0.000 0.000 2.339 115 V HA 0.233 4.112 4.120 -0.400 0.000 0.261 115 V C 0.660 176.753 176.094 -0.001 0.000 1.058 115 V CA 0.109 62.407 62.300 -0.004 0.000 0.897 115 V CB 0.948 32.765 31.823 -0.010 0.000 1.052 115 V HN 0.898 nan 8.190 nan 0.000 0.480 116 D N 3.460 123.861 120.400 0.001 0.000 2.490 116 D HA 0.038 4.438 4.640 -0.400 0.000 0.244 116 D C 1.185 177.487 176.300 0.003 0.000 0.979 116 D CA 0.034 54.036 54.000 0.003 0.000 0.924 116 D CB 0.355 41.158 40.800 0.006 0.000 1.075 116 D HN 0.654 nan 8.370 nan 0.000 0.488 117 R N 0.678 121.179 120.500 0.001 0.000 2.669 117 R HA -0.027 4.073 4.340 -0.400 0.000 0.283 117 R C 1.043 177.343 176.300 0.000 0.000 0.851 117 R CA 0.816 56.916 56.100 0.001 0.000 1.126 117 R CB -0.981 29.318 30.300 -0.002 0.000 0.883 117 R HN 0.088 nan 8.270 nan 0.000 0.418 118 G N 2.170 110.972 108.800 0.002 0.000 2.393 118 G HA2 -0.315 3.405 3.960 -0.400 0.000 0.304 118 G HA3 -0.315 3.405 3.960 -0.400 0.000 0.304 118 G C 0.218 175.120 174.900 0.002 0.000 0.977 118 G CA 0.478 45.580 45.100 0.002 0.000 0.803 118 G HN 0.534 nan 8.290 nan 0.000 0.511 119 V N 0.609 120.525 119.914 0.003 0.000 2.567 119 V HA 0.780 4.660 4.120 -0.400 0.000 0.289 119 V C 0.794 176.891 176.094 0.006 0.000 1.049 119 V CA 0.388 62.690 62.300 0.004 0.000 0.969 119 V CB 1.429 33.254 31.823 0.003 0.000 0.995 119 V HN 0.826 nan 8.190 nan 0.000 0.471 120 T N 1.249 115.808 114.554 0.007 0.000 2.754 120 T HA 0.811 4.920 4.350 -0.400 0.000 0.296 120 T C -0.229 174.477 174.700 0.010 0.000 1.205 120 T CA -0.285 61.820 62.100 0.009 0.000 1.009 120 T CB 1.622 70.495 68.868 0.008 0.000 1.368 120 T HN 1.008 nan 8.240 nan 0.000 0.509 121 A N 0.785 123.612 122.820 0.012 0.000 2.366 121 A HA 0.634 4.714 4.320 -0.400 0.000 0.249 121 A C 1.330 178.922 177.584 0.014 0.000 1.084 121 A CA 0.274 52.320 52.037 0.015 0.000 0.794 121 A CB -0.341 18.669 19.000 0.016 0.000 1.034 121 A HN 1.117 nan 8.150 nan 0.000 0.491 122 K N -0.527 119.883 120.400 0.016 0.000 3.443 122 K HA -0.224 3.856 4.320 -0.400 0.000 0.323 122 K C 1.137 177.744 176.600 0.012 0.000 0.757 122 K CA 2.190 58.486 56.287 0.015 0.000 1.417 122 K CB -1.265 31.242 32.500 0.012 0.000 1.338 122 K HN 0.989 nan 8.250 nan 0.000 0.459 123 N N 0.398 119.104 118.700 0.010 0.000 2.409 123 N HA -0.054 4.446 4.740 -0.400 0.000 0.174 123 N C 1.810 177.324 175.510 0.007 0.000 1.037 123 N CA 1.794 54.848 53.050 0.007 0.000 0.898 123 N CB -0.028 38.462 38.487 0.005 0.000 1.010 123 N HN 0.418 nan 8.380 nan 0.000 0.445 124 R N 0.627 121.133 120.500 0.009 0.000 2.091 124 R HA -0.109 3.990 4.340 -0.400 0.000 0.238 124 R C 2.459 178.764 176.300 0.009 0.000 1.136 124 R CA 2.364 58.469 56.100 0.008 0.000 0.959 124 R CB -2.079 28.228 30.300 0.011 0.000 0.856 124 R HN 0.698 nan 8.270 nan 0.000 0.437 125 E N 1.574 121.782 120.200 0.013 0.000 2.085 125 E HA -0.211 3.899 4.350 -0.400 0.000 0.194 125 E C 1.997 178.602 176.600 0.010 0.000 0.994 125 E CA 1.368 57.778 56.400 0.015 0.000 0.801 125 E CB -0.353 29.360 29.700 0.022 0.000 0.743 125 E HN 0.768 nan 8.360 nan 0.000 0.453 126 E N 0.218 120.422 120.200 0.006 0.000 2.106 126 E HA -0.071 4.039 4.350 -0.400 0.000 0.192 126 E C 2.376 178.974 176.600 -0.002 0.000 0.984 126 E CA 1.195 57.596 56.400 0.002 0.000 0.806 126 E CB -0.443 29.258 29.700 0.001 0.000 0.750 126 E HN 0.453 nan 8.360 nan 0.000 0.458 127 V N 1.698 121.610 119.914 -0.002 0.000 2.358 127 V HA -0.215 3.665 4.120 -0.400 0.000 0.246 127 V C 2.423 178.510 176.094 -0.011 0.000 1.047 127 V CA 1.792 64.087 62.300 -0.008 0.000 1.035 127 V CB -0.826 30.994 31.823 -0.006 0.000 0.658 127 V HN 0.244 nan 8.190 nan 0.000 0.452 128 A N -0.134 122.683 122.820 -0.004 0.000 1.897 128 A HA -0.195 3.885 4.320 -0.400 0.000 0.215 128 A C 2.429 180.010 177.584 -0.005 0.000 1.181 128 A CA 1.679 53.714 52.037 -0.003 0.000 0.620 128 A CB -0.549 18.456 19.000 0.008 0.000 0.821 128 A HN 0.430 nan 8.150 nan 0.000 0.443 129 R N -0.212 120.287 120.500 -0.001 0.000 2.091 129 R HA -0.157 3.943 4.340 -0.400 0.000 0.238 129 R C 2.279 178.572 176.300 -0.011 0.000 1.136 129 R CA 1.549 57.648 56.100 -0.002 0.000 0.959 129 R CB -0.405 29.895 30.300 0.000 0.000 0.856 129 R HN 0.450 nan 8.270 nan 0.000 0.437 130 A N 1.107 123.917 122.820 -0.016 0.000 1.877 130 A HA -0.123 3.957 4.320 -0.400 0.000 0.216 130 A C 2.258 179.818 177.584 -0.040 0.000 1.186 130 A CA 1.117 53.140 52.037 -0.024 0.000 0.620 130 A CB -0.553 18.434 19.000 -0.022 0.000 0.822 130 A HN 0.339 nan 8.150 nan 0.000 0.443 131 L N -0.917 120.278 121.223 -0.048 0.000 2.083 131 L HA -0.259 3.841 4.340 -0.400 0.000 0.209 131 L C 2.891 179.701 176.870 -0.100 0.000 1.083 131 L CA 1.853 56.644 54.840 -0.083 0.000 0.752 131 L CB -0.453 41.557 42.059 -0.081 0.000 0.899 131 L HN 0.625 nan 8.230 nan 0.000 0.433 132 Q N 0.324 120.092 119.800 -0.053 0.000 2.020 132 Q HA -0.285 3.815 4.340 -0.400 0.000 0.202 132 Q C 2.078 178.060 176.000 -0.030 0.000 0.982 132 Q CA 1.916 57.701 55.803 -0.028 0.000 0.838 132 Q CB -0.002 28.739 28.738 0.005 0.000 0.899 132 Q HN 0.270 nan 8.270 nan 0.000 0.423 133 E N 0.516 120.701 120.200 -0.025 0.000 2.114 133 E HA -0.270 3.840 4.350 -0.400 0.000 0.199 133 E C 1.728 178.309 176.600 -0.032 0.000 1.008 133 E CA 1.843 58.231 56.400 -0.020 0.000 0.810 133 E CB -0.109 29.580 29.700 -0.018 0.000 0.739 133 E HN 0.511 nan 8.360 nan 0.000 0.456 134 E N -1.110 119.057 120.200 -0.055 0.000 2.072 134 E HA -0.132 3.978 4.350 -0.400 0.000 0.190 134 E C 1.753 178.294 176.600 -0.099 0.000 0.982 134 E CA 1.739 58.097 56.400 -0.070 0.000 0.803 134 E CB -0.019 29.633 29.700 -0.081 0.000 0.755 134 E HN 0.446 nan 8.360 nan 0.000 0.453 135 T N -3.825 110.628 114.554 -0.167 0.000 3.040 135 T HA 0.257 4.366 4.350 -0.400 0.000 0.252 135 T C 1.585 176.272 174.700 -0.021 0.000 1.064 135 T CA 0.799 62.739 62.100 -0.267 0.000 1.110 135 T CB 0.434 68.783 68.868 -0.865 0.000 0.921 135 T HN 0.326 nan 8.240 nan 0.000 0.480 136 G N 0.617 109.433 108.800 0.028 0.000 2.184 136 G HA2 -0.258 3.462 3.960 -0.400 0.000 0.264 136 G HA3 -0.258 3.462 3.960 -0.400 0.000 0.264 136 G C -0.037 174.998 174.900 0.225 0.000 0.975 136 G CA 0.149 45.315 45.100 0.110 0.000 0.642 136 G HN 0.564 nan 8.290 nan 0.000 0.536 137 Y N 0.970 121.264 120.300 -0.011 0.000 2.550 137 Y HA 0.451 4.760 4.550 -0.400 0.000 0.343 137 Y C 1.146 177.040 175.900 -0.011 0.000 1.245 137 Y CA -0.682 57.410 58.100 -0.013 0.000 1.462 137 Y CB 0.255 38.706 38.460 -0.015 0.000 1.340 137 Y HN 0.520 nan 8.280 nan 0.000 0.604 138 A N 4.165 127.053 122.820 0.115 0.000 2.363 138 A HA 0.441 4.521 4.320 -0.400 0.000 0.270 138 A C -0.538 177.089 177.584 0.072 0.000 1.121 138 A CA -0.670 51.404 52.037 0.061 0.000 0.800 138 A CB 0.006 19.013 19.000 0.012 0.000 1.052 138 A HN 0.809 nan 8.150 nan 0.000 0.493 139 L N 3.759 125.021 121.223 0.065 0.000 2.276 139 L HA 0.540 4.640 4.340 -0.400 0.000 0.286 139 L C -0.891 176.025 176.870 0.076 0.000 1.061 139 L CA -0.528 54.354 54.840 0.071 0.000 0.807 139 L CB 0.539 42.636 42.059 0.064 0.000 1.177 139 L HN 0.627 nan 8.230 nan 0.000 0.429 140 I N 4.665 125.294 120.570 0.099 0.000 2.330 140 I HA 0.184 4.113 4.170 -0.400 0.000 0.286 140 I C -0.285 175.946 176.117 0.190 0.000 1.025 140 I CA -0.623 60.762 61.300 0.140 0.000 1.197 140 I CB 0.991 39.070 38.000 0.133 0.000 1.358 140 I HN 0.616 nan 8.210 nan 0.000 0.467 141 H N 8.937 128.001 119.070 -0.010 0.000 2.732 141 H HA 0.174 4.489 4.556 -0.401 0.000 0.351 141 H C -1.510 173.619 175.328 -0.332 0.000 1.090 141 H CA -1.043 54.899 56.048 -0.177 0.000 1.431 141 H CB 1.285 30.900 29.762 -0.245 0.000 1.447 141 H HN 0.323 nan 8.280 nan 0.000 0.582 142 P HA -0.078 nan 4.420 nan 0.000 0.229 142 P C -0.071 177.194 177.300 -0.057 0.000 1.160 142 P CA 1.097 63.667 63.100 -0.883 0.000 0.777 142 P CB 0.186 31.420 31.700 -0.776 0.000 0.814 143 F N -3.933 116.052 119.950 0.058 0.000 2.959 143 F HA 0.397 4.683 4.527 -0.401 0.000 0.411 143 F C 0.152 176.076 175.800 0.206 0.000 0.957 143 F CA -0.425 57.669 58.000 0.158 0.000 0.967 143 F CB -0.775 38.294 39.000 0.115 0.000 1.325 143 F HN -0.356 nan 8.300 nan 0.000 0.553 144 D N 2.407 122.725 120.400 -0.137 0.000 3.168 144 D HA 0.184 4.584 4.640 -0.400 0.000 0.255 144 D C -0.997 175.188 176.300 -0.191 0.000 1.314 144 D CA 0.584 54.424 54.000 -0.266 0.000 0.900 144 D CB -0.059 40.295 40.800 -0.743 0.000 1.072 144 D HN 0.351 nan 8.370 nan 0.000 0.487 145 D N -0.007 120.382 120.400 -0.020 0.000 2.890 145 D HA 0.112 4.512 4.640 -0.400 0.000 0.233 145 D C -1.900 174.428 176.300 0.045 0.000 1.306 145 D CA -1.688 52.313 54.000 0.001 0.000 0.929 145 D CB 2.691 43.509 40.800 0.031 0.000 1.512 145 D HN -0.101 nan 8.370 nan 0.000 0.568 146 P HA -0.155 nan 4.420 nan 0.000 0.216 146 P C 1.765 179.101 177.300 0.060 0.000 1.154 146 P CA 0.845 63.973 63.100 0.047 0.000 0.865 146 P CB 0.650 32.370 31.700 0.033 0.000 0.789 147 L N -1.263 119.993 121.223 0.056 0.000 2.217 147 L HA -0.068 4.032 4.340 -0.400 0.000 0.211 147 L C 2.711 179.632 176.870 0.084 0.000 1.107 147 L CA 0.775 55.653 54.840 0.063 0.000 0.783 147 L CB -0.559 41.528 42.059 0.048 0.000 0.919 147 L HN -0.143 nan 8.230 nan 0.000 0.442 148 V N 0.131 120.103 119.914 0.097 0.000 2.323 148 V HA -0.238 3.642 4.120 -0.400 0.000 0.244 148 V C 2.273 178.460 176.094 0.155 0.000 1.041 148 V CA 1.507 63.887 62.300 0.133 0.000 1.025 148 V CB -0.099 31.810 31.823 0.143 0.000 0.656 148 V HN 0.292 nan 8.190 nan 0.000 0.451 149 I N 0.505 121.159 120.570 0.140 0.000 2.286 149 I HA -0.222 3.707 4.170 -0.400 0.000 0.248 149 I C 2.634 178.821 176.117 0.117 0.000 1.115 149 I CA 1.411 62.794 61.300 0.139 0.000 1.392 149 I CB -0.552 37.519 38.000 0.118 0.000 1.065 149 I HN 0.296 nan 8.210 nan 0.000 0.418 150 A N 0.999 123.881 122.820 0.104 0.000 1.898 150 A HA -0.094 3.986 4.320 -0.400 0.000 0.216 150 A C 2.449 180.101 177.584 0.115 0.000 1.181 150 A CA 1.791 53.886 52.037 0.098 0.000 0.620 150 A CB -1.351 17.702 19.000 0.088 0.000 0.819 150 A HN 0.441 nan 8.150 nan 0.000 0.442 151 G N -0.722 108.153 108.800 0.125 0.000 2.421 151 G HA2 -0.225 3.495 3.960 -0.400 0.000 0.216 151 G HA3 -0.225 3.495 3.960 -0.400 0.000 0.216 151 G C 1.497 176.501 174.900 0.173 0.000 1.171 151 G CA 1.034 46.219 45.100 0.143 0.000 0.775 151 G HN 0.494 nan 8.290 nan 0.000 0.543 152 Q N 0.591 120.511 119.800 0.200 0.000 2.124 152 Q HA -0.063 4.037 4.340 -0.400 0.000 0.202 152 Q C 2.712 178.780 176.000 0.114 0.000 0.977 152 Q CA 1.390 57.333 55.803 0.233 0.000 0.850 152 Q CB -1.172 27.721 28.738 0.260 0.000 0.901 152 Q HN 0.451 nan 8.270 nan 0.000 0.429 153 G N 1.425 110.280 108.800 0.092 0.000 2.498 153 G HA2 -0.240 3.480 3.960 -0.400 0.000 0.219 153 G HA3 -0.240 3.480 3.960 -0.400 0.000 0.219 153 G C 1.515 176.448 174.900 0.056 0.000 1.119 153 G CA 1.487 46.619 45.100 0.054 0.000 0.766 153 G HN 0.537 nan 8.290 nan 0.000 0.552 154 T N -1.015 113.596 114.554 0.094 0.000 2.881 154 T HA 0.123 4.233 4.350 -0.400 0.000 0.270 154 T C 2.500 177.230 174.700 0.050 0.000 1.068 154 T CA 1.457 63.612 62.100 0.093 0.000 1.131 154 T CB -0.241 68.751 68.868 0.206 0.000 0.871 154 T HN 0.303 nan 8.240 nan 0.000 0.479 155 A N 1.758 124.616 122.820 0.062 0.000 1.933 155 A HA 0.249 4.329 4.320 -0.400 0.000 0.218 155 A C 2.699 180.281 177.584 -0.002 0.000 1.175 155 A CA 1.523 53.583 52.037 0.040 0.000 0.628 155 A CB -1.520 17.500 19.000 0.032 0.000 0.814 155 A HN 0.609 nan 8.150 nan 0.000 0.444 156 G N -0.402 108.391 108.800 -0.012 0.000 2.422 156 G HA2 -0.097 3.623 3.960 -0.400 0.000 0.218 156 G HA3 -0.097 3.623 3.960 -0.400 0.000 0.218 156 G C 1.536 176.417 174.900 -0.032 0.000 1.140 156 G CA 0.902 45.989 45.100 -0.022 0.000 0.775 156 G HN 0.427 nan 8.290 nan 0.000 0.545 157 L N -0.034 121.160 121.223 -0.049 0.000 2.027 157 L HA -0.029 4.071 4.340 -0.400 0.000 0.206 157 L C 2.929 179.725 176.870 -0.124 0.000 1.074 157 L CA 1.198 55.983 54.840 -0.092 0.000 0.745 157 L CB -0.402 41.565 42.059 -0.155 0.000 0.898 157 L HN 0.292 nan 8.230 nan 0.000 0.433 158 E N 0.190 120.313 120.200 -0.128 0.000 2.031 158 E HA -0.275 3.834 4.350 -0.400 0.000 0.193 158 E C 2.262 178.828 176.600 -0.057 0.000 0.994 158 E CA 1.144 57.484 56.400 -0.100 0.000 0.800 158 E CB -0.228 29.449 29.700 -0.038 0.000 0.752 158 E HN 0.377 nan 8.360 nan 0.000 0.447 159 L N 1.055 122.255 121.223 -0.039 0.000 1.997 159 L HA -0.275 3.825 4.340 -0.400 0.000 0.216 159 L C 2.364 179.209 176.870 -0.043 0.000 1.074 159 L CA 1.386 56.207 54.840 -0.032 0.000 0.763 159 L CB -0.176 41.869 42.059 -0.024 0.000 0.890 159 L HN 0.198 nan 8.230 nan 0.000 0.434 160 L N -0.953 120.248 121.223 -0.037 0.000 2.093 160 L HA -0.178 3.922 4.340 -0.400 0.000 0.208 160 L C 2.792 179.638 176.870 -0.040 0.000 1.085 160 L CA 1.009 55.832 54.840 -0.027 0.000 0.755 160 L CB -0.814 41.244 42.059 -0.002 0.000 0.904 160 L HN 0.343 nan 8.230 nan 0.000 0.435 161 A N -0.192 122.600 122.820 -0.047 0.000 1.877 161 A HA -0.242 3.837 4.320 -0.400 0.000 0.216 161 A C 2.235 179.788 177.584 -0.053 0.000 1.186 161 A CA 1.527 53.537 52.037 -0.044 0.000 0.620 161 A CB -0.482 18.484 19.000 -0.058 0.000 0.822 161 A HN 0.442 nan 8.150 nan 0.000 0.443 162 Q N -0.633 119.134 119.800 -0.056 0.000 2.050 162 Q HA -0.107 3.993 4.340 -0.400 0.000 0.202 162 Q C 2.430 178.374 176.000 -0.093 0.000 0.980 162 Q CA 1.463 57.232 55.803 -0.058 0.000 0.840 162 Q CB -0.410 28.303 28.738 -0.042 0.000 0.898 162 Q HN 0.679 nan 8.270 nan 0.000 0.424 163 A N 0.891 123.639 122.820 -0.119 0.000 1.902 163 A HA -0.123 3.957 4.320 -0.400 0.000 0.217 163 A C 2.286 179.675 177.584 -0.325 0.000 1.181 163 A CA 1.651 53.567 52.037 -0.202 0.000 0.623 163 A CB -1.202 17.679 19.000 -0.197 0.000 0.818 163 A HN 0.491 nan 8.150 nan 0.000 0.443 164 G N -0.588 108.063 108.800 -0.249 0.000 2.418 164 G HA2 -0.265 3.455 3.960 -0.400 0.000 0.217 164 G HA3 -0.265 3.455 3.960 -0.400 0.000 0.217 164 G C 1.717 176.529 174.900 -0.147 0.000 1.158 164 G CA 1.020 45.984 45.100 -0.227 0.000 0.771 164 G HN 0.581 nan 8.290 nan 0.000 0.545 165 R N 0.580 121.022 120.500 -0.097 0.000 2.105 165 R HA -0.041 4.058 4.340 -0.400 0.000 0.239 165 R C 2.465 178.721 176.300 -0.072 0.000 1.135 165 R CA 1.733 57.797 56.100 -0.059 0.000 0.967 165 R CB -0.285 29.989 30.300 -0.042 0.000 0.861 165 R HN 0.555 nan 8.270 nan 0.000 0.442 166 M N -2.385 117.147 119.600 -0.114 0.000 2.495 166 M HA 0.314 4.554 4.480 -0.400 0.000 0.237 166 M C 0.852 177.073 176.300 -0.132 0.000 1.131 166 M CA 0.935 56.173 55.300 -0.102 0.000 1.032 166 M CB 0.780 33.324 32.600 -0.094 0.000 1.513 166 M HN 0.180 nan 8.290 nan 0.000 0.488 167 G N 1.732 110.405 108.800 -0.212 0.000 2.160 167 G HA2 -0.181 3.538 3.960 -0.400 0.000 0.251 167 G HA3 -0.181 3.538 3.960 -0.400 0.000 0.251 167 G C -0.250 174.444 174.900 -0.342 0.000 1.008 167 G CA 0.184 45.153 45.100 -0.220 0.000 0.724 167 G HN 0.442 nan 8.290 nan 0.000 0.514 168 V N 0.403 120.002 119.914 -0.525 0.000 2.409 168 V HA 0.670 4.550 4.120 -0.400 0.000 0.291 168 V C -0.287 175.452 176.094 -0.592 0.000 1.020 168 V CA -0.784 61.297 62.300 -0.366 0.000 0.848 168 V CB 1.265 32.982 31.823 -0.175 0.000 0.990 168 V HN 0.231 nan 8.190 nan 0.000 0.430 169 F N 6.490 126.438 119.950 -0.003 0.000 2.308 169 F HA 0.467 4.990 4.527 -0.006 0.000 0.370 169 F C -1.611 174.187 175.800 -0.004 0.000 1.100 169 F CA -2.530 55.468 58.000 -0.004 0.000 1.108 169 F CB 1.075 40.072 39.000 -0.005 0.000 1.293 169 F HN 0.336 nan 8.300 nan 0.000 0.478 170 P HA 0.060 nan 4.420 nan 0.000 0.265 170 P C 0.715 178.056 177.300 0.069 0.000 1.193 170 P CA 0.135 63.269 63.100 0.056 0.000 0.765 170 P CB 1.335 33.047 31.700 0.021 0.000 0.823 171 G N 1.720 110.551 108.800 0.051 0.000 2.572 171 G HA2 0.304 4.024 3.960 -0.400 0.000 0.216 171 G HA3 0.304 4.024 3.960 -0.400 0.000 0.216 171 G C 0.375 175.291 174.900 0.027 0.000 1.133 171 G CA 0.604 45.728 45.100 0.041 0.000 0.791 171 G HN 0.899 nan 8.290 nan 0.000 0.538 172 A N -1.129 121.704 122.820 0.022 0.000 2.594 172 A HA 0.609 4.689 4.320 -0.400 0.000 0.296 172 A C -1.623 175.964 177.584 0.005 0.000 1.061 172 A CA -0.410 51.633 52.037 0.010 0.000 0.689 172 A CB 1.464 20.468 19.000 0.006 0.000 1.280 172 A HN 0.359 nan 8.150 nan 0.000 0.406 173 V N 2.686 122.599 119.914 -0.003 0.000 2.495 173 V HA 0.568 4.448 4.120 -0.400 0.000 0.298 173 V C -0.663 175.421 176.094 -0.018 0.000 1.031 173 V CA -0.621 61.673 62.300 -0.010 0.000 0.871 173 V CB 1.473 33.288 31.823 -0.013 0.000 0.988 173 V HN 0.718 nan 8.190 nan 0.000 0.432 174 L N 4.041 125.253 121.223 -0.018 0.000 2.341 174 L HA 0.917 5.017 4.340 -0.400 0.000 0.278 174 L C 0.032 176.883 176.870 -0.031 0.000 1.005 174 L CA -0.193 54.633 54.840 -0.023 0.000 0.818 174 L CB 1.557 43.608 42.059 -0.013 0.000 1.259 174 L HN 0.839 nan 8.230 nan 0.000 0.418 175 A N 5.580 128.374 122.820 -0.043 0.000 2.572 175 A HA 0.922 5.002 4.320 -0.400 0.000 0.295 175 A C -2.793 174.760 177.584 -0.052 0.000 1.072 175 A CA -1.151 50.850 52.037 -0.061 0.000 0.691 175 A CB 2.287 21.226 19.000 -0.102 0.000 1.291 175 A HN 0.427 nan 8.150 nan 0.000 0.404 176 P HA 0.418 nan 4.420 nan 0.000 0.274 176 P C -0.765 176.512 177.300 -0.037 0.000 1.231 176 P CA -0.087 62.999 63.100 -0.023 0.000 0.790 176 P CB 1.162 32.870 31.700 0.012 0.000 0.951 177 V N 1.586 121.481 119.914 -0.031 0.000 2.483 177 V HA 0.557 4.436 4.120 -0.400 0.000 0.297 177 V C 0.936 176.993 176.094 -0.062 0.000 1.027 177 V CA -0.074 62.198 62.300 -0.047 0.000 0.855 177 V CB 1.100 32.898 31.823 -0.042 0.000 0.995 177 V HN 0.870 nan 8.190 nan 0.000 0.424 178 G N 3.155 111.894 108.800 -0.102 0.000 2.487 178 G HA2 0.362 4.082 3.960 -0.400 0.000 0.212 178 G HA3 0.362 4.082 3.960 -0.400 0.000 0.212 178 G C 1.186 175.879 174.900 -0.346 0.000 1.988 178 G CA 0.602 45.604 45.100 -0.163 0.000 0.724 178 G HN 0.850 nan 8.290 nan 0.000 0.755 179 G N -0.519 107.870 108.800 -0.685 0.000 2.623 179 G HA2 0.366 4.086 3.960 -0.400 0.000 0.214 179 G HA3 0.366 4.086 3.960 -0.400 0.000 0.214 179 G C 1.258 175.769 174.900 -0.648 0.000 1.138 179 G CA 1.118 45.316 45.100 -1.504 0.000 0.794 179 G HN 1.872 nan 8.290 nan 0.000 0.535 180 G N -1.138 107.503 108.800 -0.265 0.000 2.179 180 G HA2 -0.144 3.576 3.960 -0.400 0.000 0.220 180 G HA3 -0.144 3.576 3.960 -0.400 0.000 0.220 180 G C 1.338 176.279 174.900 0.068 0.000 0.990 180 G CA 0.720 45.797 45.100 -0.038 0.000 0.646 180 G HN 0.967 nan 8.290 nan 0.000 0.517 181 G N 0.662 109.551 108.800 0.149 0.000 2.433 181 G HA2 0.069 3.789 3.960 -0.400 0.000 0.216 181 G HA3 0.069 3.789 3.960 -0.400 0.000 0.216 181 G C 1.767 176.741 174.900 0.122 0.000 1.186 181 G CA 1.727 46.961 45.100 0.224 0.000 0.779 181 G HN 1.068 nan 8.290 nan 0.000 0.543 182 L N 0.060 121.312 121.223 0.048 0.000 1.994 182 L HA 0.044 4.144 4.340 -0.400 0.000 0.208 182 L C 2.562 179.358 176.870 -0.123 0.000 1.071 182 L CA 1.692 56.426 54.840 -0.177 0.000 0.745 182 L CB -0.647 41.081 42.059 -0.550 0.000 0.892 182 L HN 0.185 nan 8.230 nan 0.000 0.431 183 L N -0.220 120.953 121.223 -0.083 0.000 2.083 183 L HA -0.075 4.025 4.340 -0.400 0.000 0.209 183 L C 2.462 179.318 176.870 -0.023 0.000 1.083 183 L CA 1.999 56.805 54.840 -0.057 0.000 0.752 183 L CB -1.040 40.994 42.059 -0.043 0.000 0.899 183 L HN 0.334 nan 8.230 nan 0.000 0.433 184 A N -0.857 121.967 122.820 0.007 0.000 1.898 184 A HA -0.007 4.073 4.320 -0.400 0.000 0.216 184 A C 2.324 179.920 177.584 0.021 0.000 1.181 184 A CA 1.347 53.397 52.037 0.023 0.000 0.620 184 A CB -1.419 17.615 19.000 0.057 0.000 0.819 184 A HN 0.490 nan 8.150 nan 0.000 0.442 185 G N -0.616 108.200 108.800 0.027 0.000 2.408 185 G HA2 -0.096 3.624 3.960 -0.400 0.000 0.217 185 G HA3 -0.096 3.624 3.960 -0.400 0.000 0.217 185 G C 1.438 176.342 174.900 0.007 0.000 1.150 185 G CA 0.893 46.011 45.100 0.030 0.000 0.776 185 G HN 0.332 nan 8.290 nan 0.000 0.542 186 L N 1.040 122.251 121.223 -0.021 0.000 2.072 186 L HA 0.129 4.229 4.340 -0.400 0.000 0.205 186 L C 3.161 180.020 176.870 -0.018 0.000 1.079 186 L CA 1.886 56.708 54.840 -0.031 0.000 0.752 186 L CB -1.097 40.925 42.059 -0.062 0.000 0.906 186 L HN 0.317 nan 8.230 nan 0.000 0.436 187 A N -1.125 121.685 122.820 -0.017 0.000 1.933 187 A HA -0.185 3.895 4.320 -0.400 0.000 0.218 187 A C 2.247 179.828 177.584 -0.006 0.000 1.175 187 A CA 2.147 54.176 52.037 -0.014 0.000 0.628 187 A CB -0.756 18.234 19.000 -0.016 0.000 0.814 187 A HN 0.448 nan 8.150 nan 0.000 0.444 188 T N 0.274 114.829 114.554 0.002 0.000 2.737 188 T HA 0.008 4.117 4.350 -0.400 0.000 0.265 188 T C 2.281 176.987 174.700 0.010 0.000 1.038 188 T CA 1.586 63.691 62.100 0.008 0.000 1.144 188 T CB -0.495 68.385 68.868 0.020 0.000 0.866 188 T HN 0.591 nan 8.240 nan 0.000 0.434 189 A N 1.079 123.905 122.820 0.011 0.000 1.865 189 A HA -0.072 4.008 4.320 -0.400 0.000 0.217 189 A C 2.608 180.195 177.584 0.005 0.000 1.191 189 A CA 1.609 53.652 52.037 0.010 0.000 0.623 189 A CB -1.127 17.877 19.000 0.005 0.000 0.826 189 A HN 0.337 nan 8.150 nan 0.000 0.444 190 V N -0.143 119.772 119.914 0.001 0.000 2.261 190 V HA -0.220 3.660 4.120 -0.400 0.000 0.246 190 V C 2.538 178.634 176.094 0.004 0.000 1.047 190 V CA 2.413 64.715 62.300 0.004 0.000 1.015 190 V CB -0.634 31.189 31.823 -0.000 0.000 0.642 190 V HN 0.446 nan 8.190 nan 0.000 0.446 191 K N 0.459 120.859 120.400 -0.001 0.000 2.209 191 K HA -0.001 4.079 4.320 -0.400 0.000 0.204 191 K C 2.080 178.678 176.600 -0.002 0.000 1.048 191 K CA 1.306 57.591 56.287 -0.003 0.000 0.940 191 K CB -0.756 31.739 32.500 -0.008 0.000 0.729 191 K HN 0.472 nan 8.250 nan 0.000 0.451 192 A N -0.093 122.727 122.820 0.000 0.000 1.969 192 A HA -0.068 4.012 4.320 -0.400 0.000 0.218 192 A C 1.973 179.556 177.584 -0.001 0.000 1.169 192 A CA 1.226 53.263 52.037 0.000 0.000 0.635 192 A CB -0.321 18.681 19.000 0.005 0.000 0.810 192 A HN 0.232 nan 8.150 nan 0.000 0.445 193 L N -0.882 120.342 121.223 0.003 0.000 2.286 193 L HA 0.099 4.199 4.340 -0.400 0.000 0.203 193 L C 0.612 177.484 176.870 0.005 0.000 1.068 193 L CA 0.938 55.781 54.840 0.005 0.000 0.811 193 L CB 0.136 42.204 42.059 0.014 0.000 0.989 193 L HN 0.427 nan 8.230 nan 0.000 0.467 194 S N -1.329 114.376 115.700 0.008 0.000 2.571 194 S HA 0.323 4.552 4.470 -0.400 0.000 0.238 194 S C -2.106 172.495 174.600 0.002 0.000 1.153 194 S CA -1.031 57.172 58.200 0.004 0.000 1.141 194 S CB 1.280 64.490 63.200 0.018 0.000 1.133 194 S HN -0.113 nan 8.310 nan 0.000 0.464 195 P HA -0.101 nan 4.420 nan 0.000 0.222 195 P C 1.489 178.784 177.300 -0.007 0.000 1.147 195 P CA 1.292 64.387 63.100 -0.008 0.000 0.790 195 P CB -0.340 31.354 31.700 -0.011 0.000 0.780 196 T N -4.407 110.142 114.554 -0.007 0.000 3.085 196 T HA 0.015 4.125 4.350 -0.400 0.000 0.263 196 T C 0.872 175.573 174.700 0.001 0.000 1.127 196 T CA 0.356 62.452 62.100 -0.006 0.000 1.103 196 T CB -1.310 67.552 68.868 -0.011 0.000 0.921 196 T HN -0.048 nan 8.240 nan 0.000 0.510 197 T N 3.520 118.077 114.554 0.006 0.000 2.779 197 T HA 0.426 4.536 4.350 -0.400 0.000 0.296 197 T C 0.187 174.890 174.700 0.005 0.000 0.938 197 T CA -0.451 61.658 62.100 0.014 0.000 1.119 197 T CB 0.282 69.166 68.868 0.026 0.000 0.891 197 T HN 0.309 nan 8.240 nan 0.000 0.526 198 L N 3.811 125.036 121.223 0.004 0.000 2.453 198 L HA 0.319 4.419 4.340 -0.400 0.000 0.272 198 L C -0.052 176.814 176.870 -0.007 0.000 1.182 198 L CA -0.458 54.380 54.840 -0.004 0.000 0.858 198 L CB 0.467 42.524 42.059 -0.004 0.000 1.120 198 L HN 0.312 nan 8.230 nan 0.000 0.474 199 V N 5.622 125.528 119.914 -0.014 0.000 2.407 199 V HA 0.454 4.334 4.120 -0.400 0.000 0.291 199 V C -0.105 175.974 176.094 -0.025 0.000 1.018 199 V CA -0.367 61.921 62.300 -0.019 0.000 0.842 199 V CB 1.623 33.434 31.823 -0.020 0.000 0.996 199 V HN 0.495 nan 8.190 nan 0.000 0.426 200 L N 4.120 125.325 121.223 -0.030 0.000 2.386 200 L HA 0.842 4.942 4.340 -0.400 0.000 0.271 200 L C 0.698 177.543 176.870 -0.042 0.000 0.993 200 L CA -0.459 54.359 54.840 -0.038 0.000 0.819 200 L CB 2.101 44.133 42.059 -0.044 0.000 1.294 200 L HN 0.695 nan 8.230 nan 0.000 0.414 201 G N 1.404 110.179 108.800 -0.043 0.000 2.502 201 G HA2 0.666 4.386 3.960 -0.400 0.000 0.305 201 G HA3 0.666 4.386 3.960 -0.400 0.000 0.305 201 G C -1.045 173.826 174.900 -0.049 0.000 1.190 201 G CA -0.438 44.636 45.100 -0.042 0.000 0.933 201 G HN 0.309 nan 8.290 nan 0.000 0.503 202 V N 0.801 120.691 119.914 -0.040 0.000 2.668 202 V HA 0.528 4.407 4.120 -0.400 0.000 0.304 202 V C -0.511 175.570 176.094 -0.021 0.000 1.071 202 V CA -0.717 61.561 62.300 -0.036 0.000 0.894 202 V CB 1.542 33.351 31.823 -0.024 0.000 1.008 202 V HN 1.041 nan 8.190 nan 0.000 0.425 203 E N 4.572 124.762 120.200 -0.017 0.000 2.393 203 E HA 0.659 4.768 4.350 -0.400 0.000 0.273 203 E C -3.177 173.426 176.600 0.004 0.000 0.918 203 E CA -2.552 53.843 56.400 -0.008 0.000 0.773 203 E CB 2.879 32.570 29.700 -0.014 0.000 1.275 203 E HN 0.331 nan 8.360 nan 0.000 0.451 204 P HA -0.036 nan 4.420 nan 0.000 0.268 204 P C 0.109 177.417 177.300 0.014 0.000 1.205 204 P CA 0.121 63.229 63.100 0.014 0.000 0.771 204 P CB 0.536 32.243 31.700 0.011 0.000 0.858 205 E N 2.611 122.824 120.200 0.021 0.000 2.265 205 E HA -0.157 3.952 4.350 -0.400 0.000 0.196 205 E C 1.083 177.690 176.600 0.013 0.000 0.996 205 E CA 1.002 57.415 56.400 0.021 0.000 0.832 205 E CB -0.503 29.215 29.700 0.030 0.000 0.756 205 E HN 0.370 nan 8.360 nan 0.000 0.491 206 A N 0.920 123.746 122.820 0.010 0.000 2.291 206 A HA 0.517 4.596 4.320 -0.400 0.000 0.220 206 A C 1.094 178.680 177.584 0.003 0.000 1.262 206 A CA 0.369 52.410 52.037 0.006 0.000 0.867 206 A CB 0.006 19.010 19.000 0.006 0.000 0.888 206 A HN 0.329 nan 8.150 nan 0.000 0.487 207 A N 0.868 123.689 122.820 0.002 0.000 3.306 207 A HA 0.407 4.487 4.320 -0.400 0.000 0.236 207 A C -0.319 177.261 177.584 -0.006 0.000 1.182 207 A CA 0.039 52.074 52.037 -0.004 0.000 1.024 207 A CB -0.221 18.776 19.000 -0.005 0.000 1.384 207 A HN 0.280 nan 8.150 nan 0.000 0.751 208 D N -0.229 120.169 120.400 -0.003 0.000 2.706 208 D HA 0.043 4.443 4.640 -0.400 0.000 0.236 208 D C 0.506 176.803 176.300 -0.006 0.000 1.231 208 D CA 0.362 54.360 54.000 -0.003 0.000 0.828 208 D CB -0.333 40.469 40.800 0.003 0.000 1.015 208 D HN 0.612 nan 8.370 nan 0.000 0.484 209 D N 0.279 120.671 120.400 -0.014 0.000 2.178 209 D HA -0.163 4.237 4.640 -0.400 0.000 0.201 209 D C 1.941 178.230 176.300 -0.018 0.000 0.980 209 D CA 1.130 55.117 54.000 -0.022 0.000 0.842 209 D CB -0.015 40.765 40.800 -0.032 0.000 0.948 209 D HN 0.196 nan 8.370 nan 0.000 0.472 210 A N 0.833 123.647 122.820 -0.010 0.000 1.873 210 A HA -0.183 3.896 4.320 -0.400 0.000 0.215 210 A C 2.184 179.790 177.584 0.037 0.000 1.186 210 A CA 1.696 53.742 52.037 0.015 0.000 0.616 210 A CB -0.791 18.212 19.000 0.006 0.000 0.823 210 A HN 0.231 nan 8.150 nan 0.000 0.442 211 K N -0.438 119.972 120.400 0.017 0.000 2.063 211 K HA -0.185 3.895 4.320 -0.400 0.000 0.208 211 K C 2.254 178.871 176.600 0.028 0.000 1.048 211 K CA 1.621 57.918 56.287 0.018 0.000 0.928 211 K CB -0.163 32.338 32.500 0.003 0.000 0.713 211 K HN 0.414 nan 8.250 nan 0.000 0.442 212 R N -0.018 120.493 120.500 0.019 0.000 2.075 212 R HA -0.031 4.069 4.340 -0.400 0.000 0.232 212 R C 2.521 178.840 176.300 0.031 0.000 1.126 212 R CA 1.607 57.717 56.100 0.017 0.000 0.963 212 R CB -0.170 30.131 30.300 0.002 0.000 0.858 212 R HN 0.121 nan 8.270 nan 0.000 0.435 213 S N 0.976 116.694 115.700 0.030 0.000 2.356 213 S HA -0.080 4.150 4.470 -0.400 0.000 0.223 213 S C 1.884 176.614 174.600 0.217 0.000 1.032 213 S CA 1.042 59.269 58.200 0.045 0.000 1.005 213 S CB -0.180 62.983 63.200 -0.062 0.000 0.867 213 S HN 0.215 nan 8.310 nan 0.000 0.449 214 L N 1.167 122.524 121.223 0.224 0.000 2.131 214 L HA -0.118 3.981 4.340 -0.400 0.000 0.210 214 L C 2.465 179.401 176.870 0.110 0.000 1.092 214 L CA 1.228 56.182 54.840 0.189 0.000 0.759 214 L CB -0.547 41.574 42.059 0.104 0.000 0.903 214 L HN 0.390 nan 8.230 nan 0.000 0.435 215 E N -0.030 120.218 120.200 0.080 0.000 2.112 215 E HA -0.102 4.007 4.350 -0.400 0.000 0.190 215 E C 2.276 178.911 176.600 0.058 0.000 0.979 215 E CA 0.864 57.295 56.400 0.052 0.000 0.814 215 E CB 0.011 29.732 29.700 0.035 0.000 0.762 215 E HN 0.472 nan 8.360 nan 0.000 0.460 216 A N 0.591 123.453 122.820 0.070 0.000 1.832 216 A HA 0.064 4.144 4.320 -0.400 0.000 0.214 216 A C 2.024 179.662 177.584 0.090 0.000 1.200 216 A CA 1.945 54.020 52.037 0.063 0.000 0.610 216 A CB -0.542 18.484 19.000 0.043 0.000 0.842 216 A HN 0.391 nan 8.150 nan 0.000 0.444 217 G N -2.105 106.793 108.800 0.163 0.000 2.370 217 G HA2 -0.003 3.716 3.960 -0.400 0.000 0.174 217 G HA3 -0.003 3.716 3.960 -0.400 0.000 0.174 217 G C 0.162 175.260 174.900 0.329 0.000 1.002 217 G CA 0.314 45.534 45.100 0.200 0.000 0.730 217 G HN 1.136 nan 8.290 nan 0.000 0.497 218 R N -0.668 119.981 120.500 0.248 0.000 2.752 218 R HA 0.751 4.850 4.340 -0.400 0.000 0.271 218 R C -0.491 175.552 176.300 -0.428 0.000 1.026 218 R CA -1.100 55.018 56.100 0.031 0.000 0.901 218 R CB 1.103 31.409 30.300 0.010 0.000 1.243 218 R HN 0.447 nan 8.270 nan 0.000 0.463 219 I N 2.249 122.365 120.570 -0.757 0.000 2.556 219 I HA 0.203 4.133 4.170 -0.400 0.000 0.284 219 I C -1.132 174.811 176.117 -0.291 0.000 1.114 219 I CA -0.413 60.483 61.300 -0.673 0.000 1.418 219 I CB 0.432 38.078 38.000 -0.590 0.000 1.394 219 I HN 0.450 nan 8.210 nan 0.000 0.552 220 L N 8.082 129.179 121.223 -0.210 0.000 2.333 220 L HA 0.534 4.634 4.340 -0.400 0.000 0.280 220 L C -0.072 176.747 176.870 -0.086 0.000 1.004 220 L CA -0.683 54.090 54.840 -0.111 0.000 0.820 220 L CB 1.668 43.683 42.059 -0.074 0.000 1.247 220 L HN 0.672 nan 8.230 nan 0.000 0.416 221 R N 2.624 123.088 120.500 -0.061 0.000 2.532 221 R HA 0.657 4.756 4.340 -0.400 0.000 0.272 221 R C -0.849 175.436 176.300 -0.025 0.000 1.032 221 R CA -0.612 55.465 56.100 -0.039 0.000 1.089 221 R CB 1.110 31.394 30.300 -0.027 0.000 1.098 221 R HN 0.546 nan 8.270 nan 0.000 0.526 222 L N 2.800 124.013 121.223 -0.017 0.000 2.375 222 L HA 0.179 4.279 4.340 -0.400 0.000 0.271 222 L C 1.348 178.215 176.870 -0.006 0.000 1.107 222 L CA -0.239 54.594 54.840 -0.011 0.000 0.806 222 L CB 1.539 43.593 42.059 -0.008 0.000 1.146 222 L HN 0.822 nan 8.230 nan 0.000 0.447 223 E N 1.784 121.981 120.200 -0.004 0.000 2.012 223 E HA -0.115 3.995 4.350 -0.400 0.000 0.197 223 E C 0.265 176.866 176.600 0.001 0.000 1.007 223 E CA 1.559 57.957 56.400 -0.002 0.000 0.816 223 E CB 0.030 29.729 29.700 -0.002 0.000 0.762 223 E HN 0.724 nan 8.360 nan 0.000 0.451 224 A N 0.130 122.951 122.820 0.002 0.000 2.524 224 A HA 0.508 4.588 4.320 -0.400 0.000 0.286 224 A C -2.640 174.947 177.584 0.005 0.000 1.203 224 A CA -1.467 50.572 52.037 0.004 0.000 0.736 224 A CB 0.541 19.543 19.000 0.004 0.000 1.322 224 A HN -0.154 nan 8.150 nan 0.000 0.424 225 P HA 0.152 nan 4.420 nan 0.000 0.258 225 P C -2.160 175.143 177.300 0.006 0.000 1.187 225 P CA -0.093 63.012 63.100 0.008 0.000 0.767 225 P CB -0.244 31.462 31.700 0.011 0.000 0.770 226 P HA 0.062 nan 4.420 nan 0.000 0.271 226 P C -0.581 176.722 177.300 0.006 0.000 1.233 226 P CA -0.209 62.893 63.100 0.004 0.000 0.789 226 P CB 0.748 32.449 31.700 0.001 0.000 0.951 227 R N -0.226 120.277 120.500 0.005 0.000 2.215 227 R HA 0.692 4.791 4.340 -0.400 0.000 0.337 227 R C -0.323 175.980 176.300 0.006 0.000 1.010 227 R CA -0.581 55.523 56.100 0.006 0.000 0.871 227 R CB 0.573 30.876 30.300 0.004 0.000 1.134 227 R HN 0.473 nan 8.270 nan 0.000 0.477 228 T N 0.690 115.249 114.554 0.008 0.000 2.830 228 T HA 0.266 4.375 4.350 -0.400 0.000 0.322 228 T C 0.339 175.046 174.700 0.011 0.000 1.501 228 T CA -0.866 61.240 62.100 0.009 0.000 1.036 228 T CB 1.510 70.384 68.868 0.010 0.000 1.379 228 T HN 0.743 nan 8.240 nan 0.000 0.493 229 R N 1.229 121.736 120.500 0.011 0.000 2.115 229 R HA 0.230 4.329 4.340 -0.400 0.000 0.226 229 R C 1.359 177.672 176.300 0.022 0.000 1.100 229 R CA 1.000 57.108 56.100 0.013 0.000 0.980 229 R CB -0.256 30.048 30.300 0.007 0.000 0.875 229 R HN 0.582 nan 8.270 nan 0.000 0.445 230 A N 3.322 126.156 122.820 0.023 0.000 2.981 230 A HA -0.016 4.064 4.320 -0.400 0.000 0.280 230 A C 0.717 178.319 177.584 0.030 0.000 1.797 230 A CA -0.110 51.946 52.037 0.030 0.000 1.456 230 A CB -0.392 18.624 19.000 0.027 0.000 1.057 230 A HN 0.370 nan 8.150 nan 0.000 0.602 231 D N 1.877 122.298 120.400 0.036 0.000 2.265 231 D HA -0.161 4.238 4.640 -0.400 0.000 0.208 231 D C 1.380 177.700 176.300 0.033 0.000 0.977 231 D CA 1.411 55.432 54.000 0.035 0.000 0.871 231 D CB -0.340 40.487 40.800 0.044 0.000 0.925 231 D HN 0.471 nan 8.370 nan 0.000 0.485 232 G N 0.744 109.569 108.800 0.041 0.000 2.744 232 G HA2 0.049 3.768 3.960 -0.400 0.000 0.211 232 G HA3 0.049 3.768 3.960 -0.400 0.000 0.211 232 G C 1.255 176.173 174.900 0.031 0.000 1.143 232 G CA 0.715 45.841 45.100 0.044 0.000 0.788 232 G HN 0.408 nan 8.290 nan 0.000 0.534 233 V N -3.091 116.834 119.914 0.018 0.000 2.838 233 V HA 0.471 4.351 4.120 -0.400 0.000 0.363 233 V C 0.961 177.046 176.094 -0.015 0.000 1.324 233 V CA -0.708 61.587 62.300 -0.008 0.000 1.220 233 V CB -0.016 31.804 31.823 -0.005 0.000 1.328 233 V HN 0.157 nan 8.190 nan 0.000 0.595 234 R N 1.370 121.866 120.500 -0.006 0.000 2.391 234 R HA 0.159 4.259 4.340 -0.400 0.000 0.249 234 R C 0.857 177.153 176.300 -0.007 0.000 0.957 234 R CA 0.500 56.599 56.100 -0.002 0.000 1.093 234 R CB 0.091 30.396 30.300 0.009 0.000 1.156 234 R HN 0.770 nan 8.270 nan 0.000 0.526 235 T N -1.546 112.991 114.554 -0.027 0.000 2.908 235 T HA 0.035 4.145 4.350 -0.400 0.000 0.301 235 T C 1.467 176.156 174.700 -0.018 0.000 1.019 235 T CA -0.197 61.887 62.100 -0.027 0.000 1.152 235 T CB 0.868 69.664 68.868 -0.120 0.000 0.966 235 T HN 0.115 nan 8.240 nan 0.000 0.540 236 L N 1.992 123.222 121.223 0.012 0.000 2.265 236 L HA 0.061 4.161 4.340 -0.400 0.000 0.215 236 L C 1.345 178.212 176.870 -0.005 0.000 1.117 236 L CA 0.681 55.525 54.840 0.007 0.000 0.782 236 L CB -0.745 41.326 42.059 0.021 0.000 0.914 236 L HN 1.036 nan 8.230 nan 0.000 0.441 237 S N -2.308 113.390 115.700 -0.003 0.000 2.597 237 S HA 0.386 4.616 4.470 -0.400 0.000 0.274 237 S C -0.693 173.896 174.600 -0.018 0.000 1.132 237 S CA -1.044 57.143 58.200 -0.022 0.000 0.835 237 S CB 0.968 64.156 63.200 -0.021 0.000 1.092 237 S HN -0.022 nan 8.310 nan 0.000 0.457 238 L N 1.395 122.595 121.223 -0.039 0.000 2.473 238 L HA 0.462 4.561 4.340 -0.400 0.000 0.265 238 L C 1.457 178.427 176.870 0.167 0.000 1.243 238 L CA 0.257 55.099 54.840 0.003 0.000 0.822 238 L CB 0.013 42.104 42.059 0.054 0.000 1.101 238 L HN 1.027 nan 8.230 nan 0.000 0.507 239 G N -0.251 108.767 108.800 0.362 0.000 2.504 239 G HA2 0.210 3.929 3.960 -0.400 0.000 0.288 239 G HA3 0.210 3.929 3.960 -0.400 0.000 0.288 239 G C 0.422 175.473 174.900 0.252 0.000 1.182 239 G CA -0.408 44.987 45.100 0.492 0.000 0.894 239 G HN 0.803 nan 8.290 nan 0.000 0.521 240 E N -0.059 120.224 120.200 0.139 0.000 2.106 240 E HA -0.105 4.005 4.350 -0.400 0.000 0.192 240 E C 2.470 179.148 176.600 0.130 0.000 0.984 240 E CA 0.700 57.165 56.400 0.109 0.000 0.806 240 E CB 0.121 29.839 29.700 0.031 0.000 0.750 240 E HN 0.411 nan 8.360 nan 0.000 0.458 241 R N 0.158 120.716 120.500 0.097 0.000 2.161 241 R HA -0.026 4.074 4.340 -0.400 0.000 0.213 241 R C 2.601 178.973 176.300 0.121 0.000 1.055 241 R CA 1.483 57.634 56.100 0.085 0.000 0.996 241 R CB -0.074 30.250 30.300 0.040 0.000 0.901 241 R HN 0.251 nan 8.270 nan 0.000 0.456 242 T N -1.302 113.363 114.554 0.185 0.000 2.894 242 T HA -0.095 4.015 4.350 -0.400 0.000 0.258 242 T C 1.723 176.523 174.700 0.168 0.000 1.043 242 T CA 0.433 62.641 62.100 0.179 0.000 1.141 242 T CB -0.407 68.601 68.868 0.232 0.000 0.873 242 T HN 0.083 nan 8.240 nan 0.000 0.449 243 F N 4.923 124.911 119.950 0.062 0.000 2.091 243 F HA -0.002 4.286 4.527 -0.399 0.000 0.299 243 F C -0.741 175.075 175.800 0.026 0.000 1.103 243 F CA 1.112 59.134 58.000 0.037 0.000 1.228 243 F CB -1.238 37.785 39.000 0.038 0.000 0.984 243 F HN 0.171 nan 8.300 nan 0.000 0.477 244 P HA -0.161 nan 4.420 nan 0.000 0.218 244 P C 2.077 179.260 177.300 -0.195 0.000 1.149 244 P CA 1.846 64.787 63.100 -0.266 0.000 0.817 244 P CB -0.246 31.408 31.700 -0.077 0.000 0.785 245 I N -0.631 119.881 120.570 -0.096 0.000 2.233 245 I HA -0.183 3.747 4.170 -0.400 0.000 0.243 245 I C 2.710 178.777 176.117 -0.084 0.000 1.093 245 I CA 1.042 62.306 61.300 -0.061 0.000 1.380 245 I CB -0.711 37.285 38.000 -0.007 0.000 1.067 245 I HN -0.166 nan 8.210 nan 0.000 0.413 246 L N 0.101 121.271 121.223 -0.088 0.000 2.017 246 L HA -0.193 3.907 4.340 -0.400 0.000 0.208 246 L C 2.778 179.565 176.870 -0.138 0.000 1.073 246 L CA 1.121 55.914 54.840 -0.077 0.000 0.745 246 L CB -0.788 41.262 42.059 -0.015 0.000 0.894 246 L HN 0.228 nan 8.230 nan 0.000 0.432 247 R N 0.354 120.679 120.500 -0.291 0.000 2.139 247 R HA -0.211 3.889 4.340 -0.400 0.000 0.243 247 R C 1.954 178.150 176.300 -0.174 0.000 1.145 247 R CA 1.648 57.563 56.100 -0.308 0.000 0.976 247 R CB -0.252 29.707 30.300 -0.568 0.000 0.866 247 R HN 0.521 nan 8.270 nan 0.000 0.449 248 E N -0.969 119.144 120.200 -0.145 0.000 2.413 248 E HA 0.042 4.151 4.350 -0.400 0.000 0.203 248 E C 1.111 177.673 176.600 -0.062 0.000 0.957 248 E CA -0.057 56.288 56.400 -0.091 0.000 0.950 248 E CB 0.451 30.102 29.700 -0.082 0.000 0.957 248 E HN 0.144 nan 8.360 nan 0.000 0.497 249 R N -0.141 120.324 120.500 -0.059 0.000 2.397 249 R HA 0.249 4.349 4.340 -0.400 0.000 0.241 249 R C -0.336 175.943 176.300 -0.034 0.000 0.914 249 R CA -0.152 55.925 56.100 -0.039 0.000 1.071 249 R CB 1.722 32.004 30.300 -0.030 0.000 1.116 249 R HN -0.092 nan 8.270 nan 0.000 0.524 250 V N 1.405 121.295 119.914 -0.040 0.000 2.483 250 V HA 0.091 3.971 4.120 -0.400 0.000 0.295 250 V C 0.324 176.400 176.094 -0.029 0.000 1.035 250 V CA -0.382 61.899 62.300 -0.032 0.000 0.896 250 V CB 1.960 33.766 31.823 -0.029 0.000 0.986 250 V HN 0.141 nan 8.190 nan 0.000 0.447 251 D N 3.031 123.416 120.400 -0.025 0.000 2.348 251 D HA 0.265 4.664 4.640 -0.400 0.000 0.211 251 D C 0.718 177.005 176.300 -0.022 0.000 0.998 251 D CA 1.066 55.053 54.000 -0.022 0.000 0.873 251 D CB 1.179 41.968 40.800 -0.019 0.000 0.925 251 D HN 0.763 nan 8.370 nan 0.000 0.524 252 G N 0.226 109.011 108.800 -0.025 0.000 2.328 252 G HA2 0.325 4.045 3.960 -0.400 0.000 0.299 252 G HA3 0.325 4.045 3.960 -0.400 0.000 0.299 252 G C -1.798 173.081 174.900 -0.036 0.000 1.435 252 G CA -0.893 44.191 45.100 -0.027 0.000 0.865 252 G HN 0.007 nan 8.290 nan 0.000 0.601 253 I N 0.465 121.011 120.570 -0.039 0.000 2.545 253 I HA 0.513 4.442 4.170 -0.400 0.000 0.292 253 I C -0.270 175.796 176.117 -0.086 0.000 1.040 253 I CA -0.836 60.434 61.300 -0.050 0.000 1.068 253 I CB 2.050 40.036 38.000 -0.024 0.000 1.251 253 I HN 0.264 nan 8.210 nan 0.000 0.424 254 L N 4.539 125.687 121.223 -0.126 0.000 2.334 254 L HA 0.608 4.708 4.340 -0.400 0.000 0.273 254 L C 0.000 176.794 176.870 -0.127 0.000 1.013 254 L CA -0.599 54.105 54.840 -0.227 0.000 0.816 254 L CB 2.218 44.031 42.059 -0.410 0.000 1.278 254 L HN 0.611 nan 8.230 nan 0.000 0.431 255 T N -0.428 114.079 114.554 -0.078 0.000 2.856 255 T HA 0.718 4.828 4.350 -0.400 0.000 0.283 255 T C -0.435 174.340 174.700 0.125 0.000 1.008 255 T CA -0.780 61.334 62.100 0.023 0.000 0.997 255 T CB 1.913 70.802 68.868 0.035 0.000 0.992 255 T HN 0.442 nan 8.240 nan 0.000 0.454 256 V N -0.509 119.464 119.914 0.099 0.000 2.876 256 V HA 0.858 4.738 4.120 -0.400 0.000 0.312 256 V C 0.133 176.263 176.094 0.061 0.000 1.085 256 V CA -1.059 61.312 62.300 0.118 0.000 0.945 256 V CB 1.499 33.384 31.823 0.103 0.000 1.017 256 V HN 1.233 nan 8.190 nan 0.000 0.428 257 S N 1.944 117.670 115.700 0.044 0.000 2.585 257 S HA 0.278 4.508 4.470 -0.400 0.000 0.273 257 S C 0.725 175.335 174.600 0.017 0.000 1.339 257 S CA -0.191 58.022 58.200 0.022 0.000 1.028 257 S CB 0.939 64.143 63.200 0.007 0.000 0.906 257 S HN 0.843 nan 8.310 nan 0.000 0.528 258 E N 1.477 121.683 120.200 0.010 0.000 2.204 258 E HA -0.134 3.976 4.350 -0.400 0.000 0.195 258 E C 1.618 178.219 176.600 0.001 0.000 0.990 258 E CA 1.169 57.572 56.400 0.006 0.000 0.821 258 E CB -0.274 29.427 29.700 0.002 0.000 0.750 258 E HN 0.772 nan 8.360 nan 0.000 0.477 259 E N 1.209 121.409 120.200 -0.001 0.000 2.028 259 E HA -0.105 4.005 4.350 -0.400 0.000 0.191 259 E C 2.040 178.637 176.600 -0.004 0.000 0.988 259 E CA 1.363 57.759 56.400 -0.006 0.000 0.799 259 E CB -0.492 29.203 29.700 -0.009 0.000 0.755 259 E HN 0.252 nan 8.360 nan 0.000 0.447 260 A N 0.797 123.617 122.820 0.000 0.000 1.940 260 A HA -0.161 3.919 4.320 -0.400 0.000 0.219 260 A C 2.169 179.760 177.584 0.011 0.000 1.176 260 A CA 1.325 53.365 52.037 0.004 0.000 0.631 260 A CB -0.673 18.332 19.000 0.009 0.000 0.814 260 A HN 0.249 nan 8.150 nan 0.000 0.446 261 L N -0.454 120.777 121.223 0.014 0.000 2.017 261 L HA -0.111 3.988 4.340 -0.400 0.000 0.208 261 L C 2.297 179.171 176.870 0.007 0.000 1.073 261 L CA 1.760 56.609 54.840 0.015 0.000 0.745 261 L CB -0.522 41.546 42.059 0.016 0.000 0.894 261 L HN 0.446 nan 8.230 nan 0.000 0.432 262 L N -0.790 120.431 121.223 -0.003 0.000 2.042 262 L HA -0.251 3.849 4.340 -0.400 0.000 0.210 262 L C 2.524 179.386 176.870 -0.014 0.000 1.076 262 L CA 1.687 56.518 54.840 -0.015 0.000 0.749 262 L CB -0.273 41.772 42.059 -0.023 0.000 0.893 262 L HN 0.429 nan 8.230 nan 0.000 0.432 263 E N -0.356 119.840 120.200 -0.006 0.000 2.110 263 E HA -0.221 3.889 4.350 -0.400 0.000 0.193 263 E C 2.156 178.762 176.600 0.010 0.000 0.988 263 E CA 1.026 57.425 56.400 -0.001 0.000 0.804 263 E CB -0.158 29.541 29.700 -0.001 0.000 0.745 263 E HN 0.592 nan 8.360 nan 0.000 0.458 264 A N 1.847 124.675 122.820 0.014 0.000 1.883 264 A HA -0.264 3.816 4.320 -0.400 0.000 0.217 264 A C 1.970 179.571 177.584 0.029 0.000 1.186 264 A CA 1.677 53.728 52.037 0.022 0.000 0.624 264 A CB -0.489 18.526 19.000 0.024 0.000 0.822 264 A HN 0.181 nan 8.150 nan 0.000 0.444 265 E N -0.880 119.333 120.200 0.023 0.000 2.110 265 E HA -0.208 3.902 4.350 -0.400 0.000 0.193 265 E C 2.301 178.936 176.600 0.057 0.000 0.988 265 E CA 1.176 57.596 56.400 0.034 0.000 0.804 265 E CB -0.189 29.515 29.700 0.006 0.000 0.745 265 E HN 0.602 nan 8.360 nan 0.000 0.458 266 R N 0.939 121.453 120.500 0.024 0.000 2.073 266 R HA -0.124 3.975 4.340 -0.400 0.000 0.234 266 R C 2.370 178.729 176.300 0.098 0.000 1.134 266 R CA 1.015 57.136 56.100 0.036 0.000 0.952 266 R CB -0.212 30.086 30.300 -0.003 0.000 0.850 266 R HN 0.159 nan 8.270 nan 0.000 0.433 267 L N 0.705 121.966 121.223 0.064 0.000 2.012 267 L HA -0.240 3.860 4.340 -0.400 0.000 0.210 267 L C 2.489 179.402 176.870 0.071 0.000 1.073 267 L CA 1.348 56.224 54.840 0.060 0.000 0.748 267 L CB -0.421 41.660 42.059 0.037 0.000 0.891 267 L HN 0.303 nan 8.230 nan 0.000 0.431 268 L N -1.639 119.628 121.223 0.073 0.000 2.056 268 L HA -0.238 3.862 4.340 -0.400 0.000 0.207 268 L C 2.515 179.432 176.870 0.078 0.000 1.078 268 L CA 1.252 56.123 54.840 0.052 0.000 0.749 268 L CB -0.516 41.559 42.059 0.027 0.000 0.901 268 L HN 0.141 nan 8.230 nan 0.000 0.433 269 F N 1.034 120.972 119.950 -0.020 0.000 2.075 269 F HA -0.282 4.005 4.527 -0.401 0.000 0.297 269 F C 2.796 178.596 175.800 -0.000 0.000 1.113 269 F CA 2.235 60.229 58.000 -0.010 0.000 1.218 269 F CB -0.245 38.752 39.000 -0.006 0.000 0.984 269 F HN 0.151 nan 8.300 nan 0.000 0.472 270 T N -1.963 112.751 114.554 0.266 0.000 2.851 270 T HA -0.037 4.073 4.350 -0.400 0.000 0.262 270 T C 1.987 176.716 174.700 0.048 0.000 1.043 270 T CA 0.927 63.120 62.100 0.155 0.000 1.140 270 T CB -0.272 68.695 68.868 0.166 0.000 0.872 270 T HN 0.074 nan 8.240 nan 0.000 0.446 271 R N 1.448 121.974 120.500 0.043 0.000 2.100 271 R HA 0.157 4.257 4.340 -0.400 0.000 0.220 271 R C 2.778 179.077 176.300 -0.001 0.000 1.091 271 R CA 1.668 57.779 56.100 0.019 0.000 0.986 271 R CB -0.816 29.498 30.300 0.024 0.000 0.888 271 R HN 0.701 nan 8.270 nan 0.000 0.444 272 T N -2.129 112.419 114.554 -0.009 0.000 3.022 272 T HA 0.146 4.256 4.350 -0.400 0.000 0.250 272 T C 0.240 174.911 174.700 -0.048 0.000 1.060 272 T CA -0.296 61.793 62.100 -0.018 0.000 1.013 272 T CB 0.238 69.103 68.868 -0.006 0.000 0.982 272 T HN -0.036 nan 8.240 nan 0.000 0.508 273 K N 0.712 121.051 120.400 -0.101 0.000 3.160 273 K HA -0.115 3.965 4.320 -0.400 0.000 0.280 273 K C -0.680 175.818 176.600 -0.169 0.000 1.154 273 K CA 0.674 56.851 56.287 -0.183 0.000 0.822 273 K CB -1.996 30.431 32.500 -0.121 0.000 1.239 273 K HN 0.532 nan 8.250 nan 0.000 0.489 274 Q N 0.074 119.792 119.800 -0.137 0.000 2.282 274 Q HA 0.404 4.503 4.340 -0.400 0.000 0.260 274 Q C 0.086 176.002 176.000 -0.139 0.000 0.964 274 Q CA -0.668 55.070 55.803 -0.109 0.000 0.880 274 Q CB 1.952 30.599 28.738 -0.151 0.000 1.286 274 Q HN -0.018 nan 8.270 nan 0.000 0.445 275 V N 3.297 123.172 119.914 -0.065 0.000 2.372 275 V HA 0.198 4.078 4.120 -0.400 0.000 0.261 275 V C -0.074 176.007 176.094 -0.022 0.000 1.055 275 V CA -0.310 62.014 62.300 0.041 0.000 0.930 275 V CB 0.811 32.705 31.823 0.118 0.000 1.031 275 V HN 0.427 nan 8.190 nan 0.000 0.479 276 V N 5.806 125.708 119.914 -0.019 0.000 2.487 276 V HA 0.360 4.239 4.120 -0.400 0.000 0.298 276 V C 0.313 176.440 176.094 0.055 0.000 1.028 276 V CA -0.931 61.343 62.300 -0.045 0.000 0.860 276 V CB 1.902 33.655 31.823 -0.116 0.000 0.991 276 V HN 0.985 nan 8.190 nan 0.000 0.427 277 E N 7.057 127.306 120.200 0.080 0.000 2.408 277 E HA 0.168 4.278 4.350 -0.400 0.000 0.259 277 E C -1.745 174.895 176.600 0.067 0.000 1.110 277 E CA -1.298 55.155 56.400 0.087 0.000 0.929 277 E CB 0.500 30.262 29.700 0.103 0.000 0.971 277 E HN 0.383 nan 8.360 nan 0.000 0.438 278 P HA -0.310 nan 4.420 nan 0.000 0.216 278 P C 1.527 178.854 177.300 0.045 0.000 1.154 278 P CA 2.152 65.277 63.100 0.041 0.000 0.865 278 P CB -0.184 31.534 31.700 0.031 0.000 0.789 279 T N -1.633 112.955 114.554 0.056 0.000 2.951 279 T HA -0.002 4.108 4.350 -0.400 0.000 0.268 279 T C 2.015 176.757 174.700 0.069 0.000 1.073 279 T CA 1.537 63.673 62.100 0.059 0.000 1.134 279 T CB -1.296 67.612 68.868 0.066 0.000 0.884 279 T HN 0.135 nan 8.240 nan 0.000 0.479 280 G N -0.116 108.733 108.800 0.081 0.000 2.679 280 G HA2 0.246 3.965 3.960 -0.400 0.000 0.212 280 G HA3 0.246 3.965 3.960 -0.400 0.000 0.212 280 G C 1.508 176.441 174.900 0.055 0.000 1.137 280 G CA 0.567 45.719 45.100 0.087 0.000 0.787 280 G HN 0.679 nan 8.290 nan 0.000 0.534 281 A N -0.070 122.776 122.820 0.043 0.000 2.267 281 A HA 0.434 4.513 4.320 -0.400 0.000 0.213 281 A C 2.135 179.738 177.584 0.031 0.000 1.192 281 A CA -0.107 51.950 52.037 0.032 0.000 0.851 281 A CB -0.060 18.958 19.000 0.030 0.000 0.881 281 A HN 0.296 nan 8.150 nan 0.000 0.494 282 L N -0.077 121.166 121.223 0.033 0.000 2.043 282 L HA -0.171 3.929 4.340 -0.400 0.000 0.212 282 L C -0.533 176.353 176.870 0.026 0.000 1.075 282 L CA 1.785 56.642 54.840 0.029 0.000 0.752 282 L CB -1.302 40.771 42.059 0.024 0.000 0.891 282 L HN 0.235 nan 8.230 nan 0.000 0.432 283 P HA -0.205 nan 4.420 nan 0.000 0.215 283 P C 1.694 179.010 177.300 0.027 0.000 1.153 283 P CA 1.120 64.230 63.100 0.017 0.000 0.853 283 P CB 0.045 31.752 31.700 0.011 0.000 0.788 284 L N -0.504 120.736 121.223 0.029 0.000 2.141 284 L HA -0.007 4.092 4.340 -0.400 0.000 0.209 284 L C 2.152 179.046 176.870 0.039 0.000 1.094 284 L CA 1.694 56.553 54.840 0.031 0.000 0.763 284 L CB -1.531 40.544 42.059 0.027 0.000 0.908 284 L HN -0.136 nan 8.230 nan 0.000 0.437 285 A N -0.415 122.430 122.820 0.042 0.000 1.933 285 A HA -0.097 3.983 4.320 -0.400 0.000 0.218 285 A C 2.460 180.096 177.584 0.086 0.000 1.175 285 A CA 1.625 53.692 52.037 0.050 0.000 0.628 285 A CB -1.074 17.954 19.000 0.046 0.000 0.814 285 A HN 0.540 nan 8.150 nan 0.000 0.444 286 A N -0.495 122.384 122.820 0.099 0.000 1.972 286 A HA -0.001 4.079 4.320 -0.400 0.000 0.219 286 A C 2.191 179.891 177.584 0.193 0.000 1.169 286 A CA 1.817 53.958 52.037 0.174 0.000 0.635 286 A CB -0.809 18.225 19.000 0.056 0.000 0.810 286 A HN 0.410 nan 8.150 nan 0.000 0.446 287 V N -0.422 119.551 119.914 0.098 0.000 2.358 287 V HA -0.199 3.681 4.120 -0.400 0.000 0.246 287 V C 2.444 178.572 176.094 0.057 0.000 1.047 287 V CA 1.615 63.960 62.300 0.074 0.000 1.035 287 V CB -0.823 31.027 31.823 0.045 0.000 0.658 287 V HN 0.448 nan 8.190 nan 0.000 0.452 288 L N 0.154 121.402 121.223 0.042 0.000 2.012 288 L HA -0.183 3.917 4.340 -0.400 0.000 0.210 288 L C 2.467 179.321 176.870 -0.026 0.000 1.073 288 L CA 1.920 56.766 54.840 0.011 0.000 0.748 288 L CB -0.914 41.151 42.059 0.010 0.000 0.891 288 L HN 0.415 nan 8.230 nan 0.000 0.431 289 E N -1.998 118.174 120.200 -0.047 0.000 2.318 289 E HA -0.047 4.062 4.350 -0.400 0.000 0.193 289 E C 0.885 177.204 176.600 -0.469 0.000 0.998 289 E CA 0.590 56.838 56.400 -0.253 0.000 0.859 289 E CB 0.155 29.654 29.700 -0.335 0.000 0.812 289 E HN 0.643 nan 8.360 nan 0.000 0.492 290 H N -1.365 117.707 119.070 0.004 0.000 2.916 290 H HA 0.223 4.538 4.556 -0.401 0.000 0.262 290 H C 1.630 176.960 175.328 0.004 0.000 1.178 290 H CA 0.187 56.237 56.048 0.004 0.000 1.090 290 H CB 0.604 30.368 29.762 0.004 0.000 1.657 290 H HN 0.134 nan 8.280 nan 0.000 0.601 291 G N 1.224 110.072 108.800 0.079 0.000 2.547 291 G HA2 -0.390 3.329 3.960 -0.400 0.000 0.221 291 G HA3 -0.390 3.329 3.960 -0.400 0.000 0.221 291 G C 1.891 176.817 174.900 0.044 0.000 1.140 291 G CA 1.222 46.354 45.100 0.054 0.000 0.760 291 G HN 0.508 nan 8.290 nan 0.000 0.583 292 A N 0.155 122.994 122.820 0.032 0.000 2.076 292 A HA 0.001 4.081 4.320 -0.400 0.000 0.220 292 A C 2.365 179.970 177.584 0.035 0.000 1.160 292 A CA 1.483 53.535 52.037 0.025 0.000 0.653 292 A CB -0.220 18.787 19.000 0.013 0.000 0.801 292 A HN 0.424 nan 8.150 nan 0.000 0.455 293 R N -1.341 119.193 120.500 0.056 0.000 2.362 293 R HA 0.378 4.478 4.340 -0.400 0.000 0.227 293 R C -0.450 175.876 176.300 0.044 0.000 0.905 293 R CA -0.189 55.943 56.100 0.053 0.000 1.067 293 R CB 0.110 30.454 30.300 0.073 0.000 1.078 293 R HN 0.373 nan 8.270 nan 0.000 0.516 294 L N 1.882 123.133 121.223 0.046 0.000 2.352 294 L HA 0.449 4.549 4.340 -0.400 0.000 0.269 294 L C -1.903 174.983 176.870 0.026 0.000 1.034 294 L CA -2.400 52.460 54.840 0.033 0.000 0.806 294 L CB 1.094 43.176 42.059 0.039 0.000 1.244 294 L HN -0.145 nan 8.230 nan 0.000 0.447 295 P HA 0.023 nan 4.420 nan 0.000 0.272 295 P C -0.383 176.930 177.300 0.022 0.000 1.254 295 P CA -0.340 62.772 63.100 0.021 0.000 0.795 295 P CB 0.752 32.465 31.700 0.021 0.000 1.022 296 Q N -0.666 119.147 119.800 0.023 0.000 2.083 296 Q HA -0.001 4.098 4.340 -0.400 0.000 0.198 296 Q C 0.436 176.449 176.000 0.022 0.000 0.969 296 Q CA 1.527 57.343 55.803 0.022 0.000 0.838 296 Q CB -0.724 28.027 28.738 0.022 0.000 0.900 296 Q HN 0.494 nan 8.270 nan 0.000 0.436 297 T N 2.157 116.726 114.554 0.025 0.000 2.756 297 T HA 0.593 4.703 4.350 -0.400 0.000 0.290 297 T C -0.167 174.545 174.700 0.020 0.000 0.985 297 T CA -0.287 61.826 62.100 0.023 0.000 0.955 297 T CB 0.596 69.482 68.868 0.030 0.000 0.930 297 T HN -0.030 nan 8.240 nan 0.000 0.451 298 L N 2.279 123.511 121.223 0.014 0.000 2.362 298 L HA 0.828 4.928 4.340 -0.400 0.000 0.271 298 L C 0.043 176.917 176.870 0.006 0.000 1.002 298 L CA -1.343 53.504 54.840 0.012 0.000 0.818 298 L CB 1.799 43.867 42.059 0.014 0.000 1.298 298 L HN 0.612 nan 8.230 nan 0.000 0.420 299 A N 4.102 126.924 122.820 0.003 0.000 2.276 299 A HA 0.812 4.892 4.320 -0.400 0.000 0.316 299 A C -0.727 176.857 177.584 0.000 0.000 1.229 299 A CA -0.416 51.620 52.037 -0.002 0.000 0.851 299 A CB 0.582 19.578 19.000 -0.007 0.000 1.165 299 A HN 0.649 nan 8.150 nan 0.000 0.513 300 L N 3.188 124.415 121.223 0.006 0.000 2.322 300 L HA 0.383 4.482 4.340 -0.400 0.000 0.281 300 L C -0.560 176.317 176.870 0.013 0.000 1.014 300 L CA -0.862 53.983 54.840 0.009 0.000 0.815 300 L CB 1.724 43.794 42.059 0.017 0.000 1.247 300 L HN 0.519 nan 8.230 nan 0.000 0.421 301 L N 5.580 126.803 121.223 0.001 0.000 2.302 301 L HA 0.322 4.421 4.340 -0.400 0.000 0.285 301 L C -0.207 176.683 176.870 0.034 0.000 1.090 301 L CA -0.229 54.611 54.840 0.000 0.000 0.866 301 L CB 0.698 42.723 42.059 -0.056 0.000 1.244 301 L HN 0.577 nan 8.230 nan 0.000 0.435 302 L N 5.038 126.311 121.223 0.082 0.000 2.462 302 L HA 0.069 4.169 4.340 -0.400 0.000 0.283 302 L C 1.736 178.712 176.870 0.176 0.000 1.166 302 L CA -0.227 54.686 54.840 0.123 0.000 0.964 302 L CB 0.382 42.543 42.059 0.170 0.000 1.294 302 L HN 0.710 nan 8.230 nan 0.000 0.449 303 S N 1.184 116.983 115.700 0.164 0.000 2.383 303 S HA -0.001 4.228 4.470 -0.400 0.000 0.229 303 S C 0.924 175.736 174.600 0.355 0.000 1.030 303 S CA 0.572 58.949 58.200 0.296 0.000 1.002 303 S CB -0.044 63.337 63.200 0.301 0.000 0.829 303 S HN 0.690 nan 8.310 nan 0.000 0.467 304 G N -1.636 107.312 108.800 0.247 0.000 2.646 304 G HA2 0.524 4.244 3.960 -0.400 0.000 0.291 304 G HA3 0.524 4.244 3.960 -0.400 0.000 0.291 304 G C -0.209 174.808 174.900 0.195 0.000 1.445 304 G CA -0.288 44.938 45.100 0.211 0.000 0.814 304 G HN 0.474 nan 8.290 nan 0.000 0.495 305 G N -1.124 107.796 108.800 0.199 0.000 3.969 305 G HA2 0.186 3.906 3.960 -0.400 0.000 0.291 305 G HA3 0.186 3.906 3.960 -0.400 0.000 0.291 305 G C 0.119 175.117 174.900 0.163 0.000 1.016 305 G CA -0.377 44.834 45.100 0.185 0.000 0.819 305 G HN 0.509 nan 8.290 nan 0.000 0.493 306 N N 1.497 120.283 118.700 0.144 0.000 3.245 306 N HA 0.235 4.735 4.740 -0.400 0.000 0.296 306 N C 0.268 175.902 175.510 0.207 0.000 1.254 306 N CA -0.386 52.760 53.050 0.159 0.000 1.190 306 N CB 0.289 38.834 38.487 0.098 0.000 1.460 306 N HN 0.456 nan 8.380 nan 0.000 0.538 307 R N -0.769 119.856 120.500 0.208 0.000 2.732 307 R HA 0.417 4.516 4.340 -0.400 0.000 0.278 307 R C -0.749 175.662 176.300 0.185 0.000 0.976 307 R CA -0.935 55.281 56.100 0.193 0.000 0.963 307 R CB 1.053 31.430 30.300 0.128 0.000 1.150 307 R HN -0.071 nan 8.270 nan 0.000 0.478 308 D N 0.978 121.410 120.400 0.052 0.000 2.382 308 D HA 0.018 4.418 4.640 -0.400 0.000 0.240 308 D C -0.844 175.443 176.300 -0.022 0.000 1.146 308 D CA -0.291 53.576 54.000 -0.221 0.000 0.897 308 D CB 0.545 40.974 40.800 -0.619 0.000 1.197 308 D HN 0.376 nan 8.370 nan 0.000 0.432 309 F N 1.807 121.668 119.950 -0.148 0.000 2.484 309 F HA 0.244 4.531 4.527 -0.401 0.000 0.360 309 F C 0.021 175.783 175.800 -0.064 0.000 1.101 309 F CA -0.228 57.740 58.000 -0.053 0.000 1.251 309 F CB 0.669 39.650 39.000 -0.033 0.000 1.132 309 F HN -0.008 nan 8.300 nan 0.000 0.570 310 S N 7.207 122.430 115.700 -0.795 0.000 2.707 310 S HA 0.615 4.845 4.470 -0.400 0.000 0.303 310 S C -2.336 171.695 174.600 -0.949 0.000 1.132 310 S CA -1.193 56.581 58.200 -0.711 0.000 1.046 310 S CB 0.582 63.573 63.200 -0.349 0.000 1.004 310 S HN 0.583 nan 8.310 nan 0.000 0.483 311 P HA 0.000 nan 4.420 nan 0.000 0.216 311 P CA 0.000 62.817 63.100 -0.471 0.000 0.800 311 P CB 0.000 31.562 31.700 -0.230 0.000 0.726