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 1a05_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKKIAIFAGD GIGPEIVAAA RQVLDAVDQA AHLGLRCTEG LVGGAALDAS DATA SEQUENCE DDPLPAASLQ LAMAADAVIL GAVGGPRWDA YPPAKRPEQG LLRLRKGLDL DATA SEQUENCE YANLRPAQIF PQLLDASPLR PELVRDVDIL VVRELTGDIY FGQPRGLEVI DATA SEQUENCE DGKRRGFNTM VYDEDEIRRI AHVAFRAAQG RRKQLCSVDK ANVLETTRLW DATA SEQUENCE REVVTEVARD YPDVRLSHMY VDNAAMQLIR APAQFDVLLT GNMFGDILSD DATA SEQUENCE EASQLTGSIG MLPSASLGEG RAMYEPIHGS APDIAGQDKA NPLATILSVA DATA SEQUENCE MMLRHSLNAE PWAQRVEAAV QRVLDQGLRT ADIAAPGTPV IGTKAMGAAV DATA SEQUENCE VNALNLK 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 0.000 176.299 176.300 -0.002 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.004 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 2 K N 3.419 123.815 120.400 -0.006 0.000 2.221 2 K HA 0.598 4.922 4.320 0.005 0.000 0.258 2 K C -0.799 175.798 176.600 -0.005 0.000 0.944 2 K CA -0.728 55.559 56.287 -0.001 0.000 0.823 2 K CB 2.276 34.777 32.500 0.001 0.000 1.113 2 K HN 0.532 nan 8.250 nan 0.000 0.431 3 K N 2.922 123.324 120.400 0.003 0.000 2.183 3 K HA 0.443 4.767 4.320 0.005 0.000 0.274 3 K C -0.424 176.180 176.600 0.007 0.000 1.009 3 K CA -0.318 55.969 56.287 -0.001 0.000 0.888 3 K CB 1.098 33.600 32.500 0.004 0.000 1.078 3 K HN 0.374 nan 8.250 nan 0.000 0.459 4 I N 2.272 122.837 120.570 -0.008 0.000 2.418 4 I HA 0.296 4.469 4.170 0.005 0.000 0.287 4 I C -0.488 175.608 176.117 -0.035 0.000 1.008 4 I CA -0.890 60.410 61.300 -0.001 0.000 1.104 4 I CB 1.953 39.945 38.000 -0.012 0.000 1.264 4 I HN 0.643 nan 8.210 nan 0.000 0.438 5 A N 8.105 130.913 122.820 -0.021 0.000 2.276 5 A HA 0.717 5.040 4.320 0.005 0.000 0.300 5 A C -0.398 177.058 177.584 -0.213 0.000 1.235 5 A CA -0.334 51.621 52.037 -0.137 0.000 0.867 5 A CB 0.217 19.208 19.000 -0.015 0.000 1.137 5 A HN 0.682 nan 8.150 nan 0.000 0.527 6 I N 2.359 122.698 120.570 -0.385 0.000 2.354 6 I HA 0.339 4.513 4.170 0.005 0.000 0.292 6 I C -1.233 174.571 176.117 -0.521 0.000 0.989 6 I CA -0.166 60.959 61.300 -0.291 0.000 1.188 6 I CB 1.230 39.137 38.000 -0.154 0.000 1.342 6 I HN 0.564 nan 8.210 nan 0.000 0.457 7 F N 4.833 124.785 119.950 0.004 0.000 2.552 7 F HA 0.388 4.916 4.527 0.002 0.000 0.369 7 F C 1.101 176.897 175.800 -0.007 0.000 1.112 7 F CA -0.499 57.496 58.000 -0.009 0.000 1.129 7 F CB 1.495 40.485 39.000 -0.017 0.000 1.360 7 F HN 0.557 nan 8.300 nan 0.000 0.473 8 A N 2.202 125.086 122.820 0.106 0.000 1.940 8 A HA 0.314 4.637 4.320 0.005 0.000 0.219 8 A C 1.869 179.499 177.584 0.076 0.000 1.176 8 A CA 1.526 53.609 52.037 0.076 0.000 0.631 8 A CB -1.051 17.975 19.000 0.044 0.000 0.814 8 A HN 1.194 nan 8.150 nan 0.000 0.446 9 G N -0.864 107.978 108.800 0.071 0.000 2.525 9 G HA2 -0.171 3.793 3.960 0.005 0.000 0.248 9 G HA3 -0.171 3.793 3.960 0.005 0.000 0.248 9 G C -0.655 174.249 174.900 0.007 0.000 1.238 9 G CA 0.116 45.227 45.100 0.018 0.000 0.926 9 G HN 0.532 nan 8.290 nan 0.000 0.574 10 D N 1.085 121.483 120.400 -0.003 0.000 2.385 10 D HA 0.538 5.181 4.640 0.005 0.000 0.254 10 D C 1.313 177.679 176.300 0.110 0.000 1.053 10 D CA 0.881 54.917 54.000 0.059 0.000 0.992 10 D CB 0.865 41.681 40.800 0.027 0.000 1.145 10 D HN 1.751 nan 8.370 nan 0.000 0.523 11 G N 1.036 109.929 108.800 0.155 0.000 2.634 11 G HA2 -0.354 3.609 3.960 0.005 0.000 0.318 11 G HA3 -0.354 3.609 3.960 0.005 0.000 0.318 11 G C 1.062 176.014 174.900 0.086 0.000 1.207 11 G CA 0.814 45.986 45.100 0.121 0.000 0.987 11 G HN 0.706 nan 8.290 nan 0.000 0.547 12 I N 0.313 120.929 120.570 0.077 0.000 3.428 12 I HA 0.394 4.568 4.170 0.005 0.000 0.286 12 I C 2.349 178.513 176.117 0.079 0.000 1.287 12 I CA 1.402 62.737 61.300 0.058 0.000 1.396 12 I CB -0.655 37.360 38.000 0.024 0.000 1.062 12 I HN 0.602 nan 8.210 nan 0.000 0.471 13 G N 2.711 111.568 108.800 0.095 0.000 2.491 13 G HA2 -0.170 3.793 3.960 0.005 0.000 0.218 13 G HA3 -0.170 3.793 3.960 0.005 0.000 0.218 13 G C -0.433 174.509 174.900 0.070 0.000 1.180 13 G CA 1.144 46.299 45.100 0.092 0.000 0.774 13 G HN 0.388 nan 8.290 nan 0.000 0.562 14 P HA -0.069 nan 4.420 nan 0.000 0.216 14 P C 1.772 179.094 177.300 0.036 0.000 1.150 14 P CA 1.686 64.812 63.100 0.044 0.000 0.837 14 P CB -0.081 31.645 31.700 0.043 0.000 0.786 15 E N 0.160 120.382 120.200 0.038 0.000 2.158 15 E HA -0.088 4.265 4.350 0.005 0.000 0.191 15 E C 1.970 178.588 176.600 0.031 0.000 0.982 15 E CA 0.827 57.244 56.400 0.028 0.000 0.823 15 E CB -0.993 28.719 29.700 0.021 0.000 0.766 15 E HN 0.314 nan 8.360 nan 0.000 0.468 16 I N -0.919 119.680 120.570 0.048 0.000 2.617 16 I HA -0.053 4.120 4.170 0.005 0.000 0.256 16 I C 1.980 178.131 176.117 0.057 0.000 1.167 16 I CA 0.389 61.726 61.300 0.061 0.000 1.469 16 I CB -0.017 38.048 38.000 0.109 0.000 1.098 16 I HN -0.111 nan 8.210 nan 0.000 0.436 17 V N 1.798 121.742 119.914 0.051 0.000 2.788 17 V HA 0.002 4.125 4.120 0.005 0.000 0.251 17 V C 3.011 179.118 176.094 0.021 0.000 1.068 17 V CA 1.502 63.825 62.300 0.039 0.000 1.090 17 V CB -0.471 31.376 31.823 0.039 0.000 0.710 17 V HN 0.548 nan 8.190 nan 0.000 0.467 18 A N 0.351 123.182 122.820 0.018 0.000 1.898 18 A HA -0.030 4.293 4.320 0.005 0.000 0.216 18 A C 2.429 180.017 177.584 0.007 0.000 1.181 18 A CA 1.839 53.881 52.037 0.008 0.000 0.620 18 A CB -0.683 18.322 19.000 0.008 0.000 0.819 18 A HN 0.513 nan 8.150 nan 0.000 0.442 19 A N 0.050 122.878 122.820 0.012 0.000 1.858 19 A HA 0.142 4.466 4.320 0.005 0.000 0.216 19 A C 2.526 180.117 177.584 0.011 0.000 1.190 19 A CA 2.209 54.252 52.037 0.011 0.000 0.617 19 A CB -1.149 17.859 19.000 0.014 0.000 0.827 19 A HN 1.104 nan 8.150 nan 0.000 0.443 20 A N -0.649 122.182 122.820 0.018 0.000 1.978 20 A HA -0.182 4.141 4.320 0.005 0.000 0.220 20 A C 2.243 179.828 177.584 0.002 0.000 1.170 20 A CA 1.638 53.685 52.037 0.016 0.000 0.636 20 A CB -0.478 18.538 19.000 0.027 0.000 0.810 20 A HN 0.535 nan 8.150 nan 0.000 0.448 21 R N -0.824 119.674 120.500 -0.002 0.000 2.115 21 R HA -0.130 4.213 4.340 0.005 0.000 0.230 21 R C 2.447 178.735 176.300 -0.020 0.000 1.111 21 R CA 1.485 57.576 56.100 -0.016 0.000 0.976 21 R CB -0.248 30.042 30.300 -0.017 0.000 0.870 21 R HN 0.705 nan 8.270 nan 0.000 0.445 22 Q N -0.274 119.518 119.800 -0.012 0.000 2.061 22 Q HA -0.167 4.176 4.340 0.005 0.000 0.204 22 Q C 2.116 178.106 176.000 -0.015 0.000 0.984 22 Q CA 1.762 57.557 55.803 -0.013 0.000 0.846 22 Q CB -0.003 28.732 28.738 -0.005 0.000 0.902 22 Q HN 0.196 nan 8.270 nan 0.000 0.421 23 V N 0.985 120.895 119.914 -0.007 0.000 2.358 23 V HA -0.235 3.888 4.120 0.005 0.000 0.246 23 V C 2.170 178.252 176.094 -0.019 0.000 1.047 23 V CA 1.278 63.578 62.300 -0.001 0.000 1.035 23 V CB -0.486 31.346 31.823 0.014 0.000 0.658 23 V HN 0.388 nan 8.190 nan 0.000 0.452 24 L N -0.111 121.093 121.223 -0.032 0.000 2.046 24 L HA -0.185 4.158 4.340 0.005 0.000 0.208 24 L C 2.410 179.229 176.870 -0.085 0.000 1.077 24 L CA 1.885 56.691 54.840 -0.057 0.000 0.747 24 L CB -0.476 41.551 42.059 -0.053 0.000 0.896 24 L HN 0.381 nan 8.230 nan 0.000 0.432 25 D N 0.032 120.388 120.400 -0.073 0.000 2.117 25 D HA -0.159 4.485 4.640 0.005 0.000 0.197 25 D C 2.146 178.379 176.300 -0.112 0.000 0.987 25 D CA 1.400 55.347 54.000 -0.088 0.000 0.829 25 D CB -0.023 40.739 40.800 -0.064 0.000 0.961 25 D HN 0.399 nan 8.370 nan 0.000 0.460 26 A N 0.516 123.284 122.820 -0.086 0.000 1.933 26 A HA -0.113 4.210 4.320 0.005 0.000 0.218 26 A C 2.480 179.973 177.584 -0.152 0.000 1.175 26 A CA 1.129 53.115 52.037 -0.085 0.000 0.628 26 A CB -0.510 18.474 19.000 -0.028 0.000 0.814 26 A HN 0.161 nan 8.150 nan 0.000 0.444 27 V N 0.123 119.934 119.914 -0.172 0.000 2.407 27 V HA -0.171 3.952 4.120 0.005 0.000 0.245 27 V C 2.295 178.086 176.094 -0.504 0.000 1.041 27 V CA 2.120 64.219 62.300 -0.335 0.000 1.040 27 V CB -0.687 31.039 31.823 -0.162 0.000 0.671 27 V HN 0.675 nan 8.190 nan 0.000 0.455 28 D N -0.365 119.839 120.400 -0.327 0.000 2.104 28 D HA -0.202 4.441 4.640 0.005 0.000 0.194 28 D C 2.249 178.321 176.300 -0.380 0.000 0.994 28 D CA 1.372 55.186 54.000 -0.310 0.000 0.830 28 D CB -0.000 40.683 40.800 -0.194 0.000 0.959 28 D HN 0.272 nan 8.370 nan 0.000 0.452 29 Q N 0.002 119.592 119.800 -0.349 0.000 2.050 29 Q HA -0.067 4.276 4.340 0.005 0.000 0.202 29 Q C 2.291 177.903 176.000 -0.647 0.000 0.980 29 Q CA 1.480 57.040 55.803 -0.405 0.000 0.840 29 Q CB -0.749 27.842 28.738 -0.244 0.000 0.898 29 Q HN 0.409 nan 8.270 nan 0.000 0.424 30 A N 0.928 123.438 122.820 -0.516 0.000 1.877 30 A HA -0.057 4.266 4.320 0.005 0.000 0.216 30 A C 2.215 179.461 177.584 -0.563 0.000 1.186 30 A CA 2.013 53.776 52.037 -0.457 0.000 0.620 30 A CB -0.592 18.212 19.000 -0.326 0.000 0.822 30 A HN 0.359 nan 8.150 nan 0.000 0.443 31 A N -2.620 119.670 122.820 -0.884 0.000 2.123 31 A HA 0.146 4.470 4.320 0.005 0.000 0.214 31 A C 0.703 178.133 177.584 -0.257 0.000 1.152 31 A CA 0.697 52.298 52.037 -0.726 0.000 0.728 31 A CB -0.477 17.730 19.000 -1.321 0.000 0.814 31 A HN 0.660 nan 8.150 nan 0.000 0.464 32 H N -1.520 117.395 119.070 -0.259 0.000 2.819 32 H HA -0.126 4.433 4.556 0.005 0.000 0.323 32 H C 0.627 175.873 175.328 -0.137 0.000 1.243 32 H CA 0.879 56.836 56.048 -0.151 0.000 1.163 32 H CB -1.851 27.856 29.762 -0.092 0.000 1.493 32 H HN 0.497 nan 8.280 nan 0.000 0.434 33 L N -0.314 120.829 121.223 -0.133 0.000 2.313 33 L HA 0.023 4.367 4.340 0.005 0.000 0.214 33 L C 1.866 178.702 176.870 -0.057 0.000 1.119 33 L CA 1.065 55.845 54.840 -0.100 0.000 0.809 33 L CB 0.144 42.114 42.059 -0.148 0.000 0.933 33 L HN 0.664 nan 8.230 nan 0.000 0.449 34 G N 1.607 110.374 108.800 -0.054 0.000 2.350 34 G HA2 -0.271 3.692 3.960 0.005 0.000 0.298 34 G HA3 -0.271 3.692 3.960 0.005 0.000 0.298 34 G C -0.065 174.812 174.900 -0.038 0.000 1.037 34 G CA -0.083 44.997 45.100 -0.034 0.000 1.074 34 G HN 0.226 nan 8.290 nan 0.000 0.511 35 L N -0.735 120.456 121.223 -0.054 0.000 2.350 35 L HA 0.645 4.988 4.340 0.005 0.000 0.275 35 L C 0.834 177.679 176.870 -0.042 0.000 1.099 35 L CA -1.037 53.774 54.840 -0.048 0.000 0.808 35 L CB 1.405 43.428 42.059 -0.061 0.000 1.149 35 L HN 0.275 nan 8.230 nan 0.000 0.442 36 R N 1.937 122.416 120.500 -0.034 0.000 2.275 36 R HA 0.421 4.765 4.340 0.005 0.000 0.326 36 R C -1.446 174.831 176.300 -0.039 0.000 0.973 36 R CA -0.159 55.921 56.100 -0.033 0.000 0.854 36 R CB 0.638 30.923 30.300 -0.024 0.000 1.156 36 R HN 0.644 nan 8.270 nan 0.000 0.487 37 C N 3.298 122.569 119.300 -0.047 0.000 2.341 37 C HA 0.744 5.207 4.460 0.005 0.000 0.338 37 C C -0.103 174.844 174.990 -0.072 0.000 1.257 37 C CA -0.392 58.590 59.018 -0.060 0.000 1.883 37 C CB 1.144 28.848 27.740 -0.061 0.000 2.334 37 C HN 0.899 nan 8.230 nan 0.000 0.524 38 T N 0.059 114.552 114.554 -0.100 0.000 2.900 38 T HA 0.587 4.940 4.350 0.005 0.000 0.295 38 T C -1.140 173.439 174.700 -0.201 0.000 1.044 38 T CA -0.650 61.376 62.100 -0.122 0.000 0.995 38 T CB 1.481 70.284 68.868 -0.108 0.000 1.072 38 T HN 0.690 nan 8.240 nan 0.000 0.473 39 E N 0.472 120.558 120.200 -0.189 0.000 2.179 39 E HA 0.621 4.974 4.350 0.005 0.000 0.275 39 E C -0.100 176.334 176.600 -0.277 0.000 0.945 39 E CA -1.091 55.161 56.400 -0.248 0.000 0.792 39 E CB 1.985 31.601 29.700 -0.140 0.000 1.125 39 E HN 0.902 nan 8.360 nan 0.000 0.397 40 G N 1.777 110.309 108.800 -0.447 0.000 2.818 40 G HA2 0.615 4.578 3.960 0.005 0.000 0.286 40 G HA3 0.615 4.578 3.960 0.005 0.000 0.286 40 G C -1.167 173.795 174.900 0.104 0.000 1.364 40 G CA -0.712 44.261 45.100 -0.212 0.000 0.938 40 G HN 0.320 nan 8.290 nan 0.000 0.490 41 L N 0.084 121.464 121.223 0.262 0.000 2.325 41 L HA 0.787 5.130 4.340 0.005 0.000 0.278 41 L C -0.473 176.513 176.870 0.192 0.000 1.023 41 L CA -1.021 53.938 54.840 0.199 0.000 0.811 41 L CB 1.810 43.912 42.059 0.072 0.000 1.249 41 L HN 0.357 nan 8.230 nan 0.000 0.431 42 V N 2.140 122.092 119.914 0.065 0.000 3.048 42 V HA 0.862 4.985 4.120 0.005 0.000 0.303 42 V C 0.217 176.203 176.094 -0.181 0.000 1.214 42 V CA 0.623 62.857 62.300 -0.110 0.000 0.984 42 V CB 1.744 33.447 31.823 -0.201 0.000 1.054 42 V HN 0.997 nan 8.190 nan 0.000 0.430 43 G N 4.341 112.984 108.800 -0.261 0.000 2.539 43 G HA2 -0.096 3.867 3.960 0.005 0.000 0.256 43 G HA3 -0.096 3.867 3.960 0.005 0.000 0.256 43 G C 1.022 175.543 174.900 -0.632 0.000 1.233 43 G CA 0.269 45.134 45.100 -0.392 0.000 0.936 43 G HN 2.141 nan 8.290 nan 0.000 0.571 44 G N -0.151 107.991 108.800 -1.096 0.000 2.448 44 G HA2 0.260 4.223 3.960 0.005 0.000 0.219 44 G HA3 0.260 4.223 3.960 0.005 0.000 0.219 44 G C 2.092 176.497 174.900 -0.825 0.000 1.127 44 G CA 2.806 46.728 45.100 -1.963 0.000 0.766 44 G HN 1.904 nan 8.290 nan 0.000 0.552 45 A N 1.110 123.666 122.820 -0.439 0.000 1.902 45 A HA 0.297 4.621 4.320 0.005 0.000 0.217 45 A C 2.766 180.286 177.584 -0.106 0.000 1.181 45 A CA 2.119 54.079 52.037 -0.128 0.000 0.623 45 A CB -0.631 18.331 19.000 -0.063 0.000 0.818 45 A HN 0.709 nan 8.150 nan 0.000 0.443 46 A N -0.645 122.073 122.820 -0.171 0.000 1.968 46 A HA 0.126 4.450 4.320 0.005 0.000 0.217 46 A C 2.139 179.646 177.584 -0.129 0.000 1.169 46 A CA 1.149 53.117 52.037 -0.115 0.000 0.638 46 A CB -0.438 18.488 19.000 -0.122 0.000 0.812 46 A HN 0.452 nan 8.150 nan 0.000 0.446 47 L N -0.516 120.555 121.223 -0.254 0.000 2.005 47 L HA -0.166 4.178 4.340 0.005 0.000 0.207 47 L C 2.005 178.872 176.870 -0.006 0.000 1.072 47 L CA 1.426 56.123 54.840 -0.237 0.000 0.744 47 L CB -0.555 41.124 42.059 -0.633 0.000 0.895 47 L HN 0.273 nan 8.230 nan 0.000 0.433 48 D N -0.083 120.355 120.400 0.063 0.000 2.182 48 D HA -0.168 4.476 4.640 0.005 0.000 0.201 48 D C 1.970 178.337 176.300 0.111 0.000 0.986 48 D CA 1.493 55.601 54.000 0.180 0.000 0.847 48 D CB 0.122 41.059 40.800 0.228 0.000 0.942 48 D HN 0.377 nan 8.370 nan 0.000 0.467 49 A N -0.626 122.229 122.820 0.059 0.000 1.973 49 A HA 0.132 4.456 4.320 0.005 0.000 0.210 49 A C 2.016 179.625 177.584 0.043 0.000 1.200 49 A CA 0.564 52.630 52.037 0.048 0.000 0.707 49 A CB 0.492 19.512 19.000 0.032 0.000 0.862 49 A HN 0.098 nan 8.150 nan 0.000 0.461 50 S N -1.172 114.546 115.700 0.030 0.000 2.733 50 S HA 0.204 4.678 4.470 0.005 0.000 0.247 50 S C -0.004 174.622 174.600 0.044 0.000 1.043 50 S CA 0.307 58.525 58.200 0.031 0.000 1.066 50 S CB 0.435 63.643 63.200 0.014 0.000 1.045 50 S HN 0.567 nan 8.310 nan 0.000 0.586 51 D N 2.211 122.650 120.400 0.064 0.000 2.772 51 D HA -0.175 4.468 4.640 0.005 0.000 0.233 51 D C -0.980 175.357 176.300 0.061 0.000 1.143 51 D CA 0.972 55.047 54.000 0.126 0.000 0.700 51 D CB -0.898 39.996 40.800 0.157 0.000 1.076 51 D HN 0.388 nan 8.370 nan 0.000 0.430 52 D N -1.591 118.795 120.400 -0.024 0.000 2.861 52 D HA 0.194 4.837 4.640 0.005 0.000 0.216 52 D C -2.121 174.109 176.300 -0.117 0.000 1.323 52 D CA -1.106 52.866 54.000 -0.048 0.000 0.917 52 D CB 1.680 42.469 40.800 -0.019 0.000 1.582 52 D HN -0.088 nan 8.370 nan 0.000 0.576 53 P HA -0.000 nan 4.420 nan 0.000 0.222 53 P C 0.508 177.706 177.300 -0.169 0.000 1.147 53 P CA 0.269 63.242 63.100 -0.210 0.000 0.790 53 P CB 1.089 32.663 31.700 -0.210 0.000 0.780 54 L N -0.395 120.754 121.223 -0.123 0.000 2.457 54 L HA 0.429 4.772 4.340 0.005 0.000 0.259 54 L C -2.947 173.882 176.870 -0.069 0.000 1.377 54 L CA -1.710 53.057 54.840 -0.122 0.000 0.887 54 L CB 1.745 43.721 42.059 -0.138 0.000 1.085 54 L HN -0.231 nan 8.230 nan 0.000 0.509 55 P HA 0.071 nan 4.420 nan 0.000 0.268 55 P C 0.760 178.060 177.300 -0.000 0.000 1.208 55 P CA 0.243 63.337 63.100 -0.011 0.000 0.777 55 P CB 0.924 32.628 31.700 0.007 0.000 0.875 56 A N 2.806 125.629 122.820 0.006 0.000 1.986 56 A HA -0.215 4.108 4.320 0.005 0.000 0.220 56 A C 2.115 179.714 177.584 0.025 0.000 1.171 56 A CA 2.256 54.299 52.037 0.010 0.000 0.640 56 A CB -1.629 17.377 19.000 0.011 0.000 0.811 56 A HN 0.575 nan 8.150 nan 0.000 0.451 57 A N -0.705 122.136 122.820 0.035 0.000 1.902 57 A HA -0.046 4.277 4.320 0.005 0.000 0.217 57 A C 2.433 180.071 177.584 0.090 0.000 1.181 57 A CA 1.993 54.060 52.037 0.050 0.000 0.623 57 A CB -0.772 18.255 19.000 0.045 0.000 0.818 57 A HN 0.462 nan 8.150 nan 0.000 0.443 58 S N -0.399 115.370 115.700 0.114 0.000 2.383 58 S HA -0.036 4.437 4.470 0.005 0.000 0.227 58 S C 1.839 176.542 174.600 0.172 0.000 1.026 58 S CA 1.023 59.364 58.200 0.234 0.000 0.981 58 S CB -0.345 62.960 63.200 0.174 0.000 0.818 58 S HN 0.513 nan 8.310 nan 0.000 0.472 59 L N 1.965 123.216 121.223 0.047 0.000 2.056 59 L HA -0.184 4.159 4.340 0.005 0.000 0.207 59 L C 2.772 179.674 176.870 0.053 0.000 1.078 59 L CA 1.675 56.523 54.840 0.014 0.000 0.749 59 L CB -0.575 41.476 42.059 -0.013 0.000 0.901 59 L HN 0.528 nan 8.230 nan 0.000 0.433 60 Q N -0.728 119.106 119.800 0.058 0.000 2.167 60 Q HA -0.249 4.094 4.340 0.005 0.000 0.202 60 Q C 2.143 178.185 176.000 0.071 0.000 0.970 60 Q CA 1.348 57.182 55.803 0.052 0.000 0.855 60 Q CB -0.549 28.211 28.738 0.037 0.000 0.911 60 Q HN 0.414 nan 8.270 nan 0.000 0.438 61 L N 1.313 122.601 121.223 0.107 0.000 2.056 61 L HA -0.015 4.328 4.340 0.005 0.000 0.207 61 L C 2.403 179.357 176.870 0.139 0.000 1.078 61 L CA 2.142 57.045 54.840 0.104 0.000 0.749 61 L CB -0.848 41.275 42.059 0.107 0.000 0.901 61 L HN 0.275 nan 8.230 nan 0.000 0.433 62 A N -0.948 122.013 122.820 0.236 0.000 1.930 62 A HA -0.151 4.173 4.320 0.005 0.000 0.217 62 A C 2.188 179.837 177.584 0.110 0.000 1.175 62 A CA 1.807 53.981 52.037 0.229 0.000 0.627 62 A CB -0.511 18.617 19.000 0.213 0.000 0.815 62 A HN 0.473 nan 8.150 nan 0.000 0.443 63 M N -0.550 119.095 119.600 0.074 0.000 2.296 63 M HA -0.028 4.455 4.480 0.005 0.000 0.265 63 M C 2.283 178.608 176.300 0.042 0.000 1.064 63 M CA 1.380 56.706 55.300 0.044 0.000 1.109 63 M CB -1.152 31.466 32.600 0.030 0.000 1.396 63 M HN 0.499 nan 8.290 nan 0.000 0.430 64 A N -0.135 122.713 122.820 0.047 0.000 2.072 64 A HA 0.404 4.727 4.320 0.005 0.000 0.216 64 A C 1.384 178.989 177.584 0.035 0.000 1.156 64 A CA 0.653 52.711 52.037 0.035 0.000 0.701 64 A CB -0.434 18.584 19.000 0.029 0.000 0.816 64 A HN 0.380 nan 8.150 nan 0.000 0.458 65 A N -0.136 122.713 122.820 0.048 0.000 2.327 65 A HA 0.361 4.684 4.320 0.005 0.000 0.255 65 A C 0.556 178.171 177.584 0.051 0.000 1.099 65 A CA 0.250 52.316 52.037 0.047 0.000 0.801 65 A CB 0.234 19.271 19.000 0.062 0.000 1.062 65 A HN 0.362 nan 8.150 nan 0.000 0.496 66 D N -0.430 120.001 120.400 0.052 0.000 2.324 66 D HA 0.313 4.957 4.640 0.005 0.000 0.212 66 D C 0.444 176.799 176.300 0.092 0.000 0.984 66 D CA 1.468 55.504 54.000 0.059 0.000 0.885 66 D CB 0.405 41.233 40.800 0.047 0.000 0.996 66 D HN 0.648 nan 8.370 nan 0.000 0.505 67 A N 0.726 123.611 122.820 0.108 0.000 2.520 67 A HA 0.544 4.867 4.320 0.005 0.000 0.298 67 A C -0.998 176.690 177.584 0.174 0.000 1.051 67 A CA -0.522 51.625 52.037 0.184 0.000 0.690 67 A CB 1.989 21.112 19.000 0.205 0.000 1.281 67 A HN -0.091 nan 8.150 nan 0.000 0.402 68 V N 2.514 122.558 119.914 0.217 0.000 2.555 68 V HA 0.547 4.670 4.120 0.005 0.000 0.302 68 V C -0.412 175.837 176.094 0.258 0.000 1.038 68 V CA -0.328 62.103 62.300 0.218 0.000 0.887 68 V CB 1.639 33.591 31.823 0.214 0.000 0.991 68 V HN 0.741 nan 8.190 nan 0.000 0.434 69 I N 4.980 125.682 120.570 0.219 0.000 2.406 69 I HA 0.533 4.706 4.170 0.005 0.000 0.290 69 I C -0.844 175.393 176.117 0.200 0.000 0.999 69 I CA -0.464 60.951 61.300 0.193 0.000 1.124 69 I CB 1.870 39.938 38.000 0.114 0.000 1.289 69 I HN 0.447 nan 8.210 nan 0.000 0.441 70 L N 5.331 126.653 121.223 0.165 0.000 2.386 70 L HA 0.663 5.006 4.340 0.005 0.000 0.271 70 L C 0.649 177.572 176.870 0.089 0.000 0.993 70 L CA -0.143 54.784 54.840 0.145 0.000 0.819 70 L CB 1.938 44.052 42.059 0.092 0.000 1.294 70 L HN 0.673 nan 8.230 nan 0.000 0.414 71 G N 3.018 111.869 108.800 0.085 0.000 2.572 71 G HA2 0.519 4.482 3.960 0.005 0.000 0.214 71 G HA3 0.519 4.482 3.960 0.005 0.000 0.214 71 G C -0.023 174.906 174.900 0.049 0.000 1.246 71 G CA 0.638 45.781 45.100 0.071 0.000 0.835 71 G HN 0.878 nan 8.290 nan 0.000 0.551 72 A N -1.444 121.407 122.820 0.052 0.000 2.605 72 A HA 0.610 4.934 4.320 0.005 0.000 0.294 72 A C -1.235 176.357 177.584 0.014 0.000 1.062 72 A CA 0.060 52.122 52.037 0.042 0.000 0.682 72 A CB 1.304 20.366 19.000 0.103 0.000 1.278 72 A HN 1.612 nan 8.150 nan 0.000 0.410 73 V N -1.130 118.780 119.914 -0.008 0.000 2.789 73 V HA 1.025 5.148 4.120 0.005 0.000 0.311 73 V C 0.079 176.158 176.094 -0.025 0.000 1.073 73 V CA 0.142 62.406 62.300 -0.062 0.000 0.921 73 V CB 0.990 32.751 31.823 -0.105 0.000 1.009 73 V HN 2.915 nan 8.190 nan 0.000 0.426 74 G N 0.879 109.655 108.800 -0.039 0.000 2.484 74 G HA2 0.611 4.574 3.960 0.005 0.000 0.685 74 G HA3 0.611 4.574 3.960 0.005 0.000 0.685 74 G C -0.191 174.887 174.900 0.297 0.000 1.294 74 G CA -0.152 45.002 45.100 0.091 0.000 0.879 74 G HN 2.862 nan 8.290 nan 0.000 0.646 75 G N 0.240 109.267 108.800 0.379 0.000 2.368 75 G HA2 0.733 4.696 3.960 0.005 0.000 0.303 75 G HA3 0.733 4.696 3.960 0.005 0.000 0.303 75 G C -1.553 173.469 174.900 0.204 0.000 1.590 75 G CA 0.531 45.830 45.100 0.332 0.000 0.938 75 G HN 0.908 nan 8.290 nan 0.000 0.675 76 P HA -0.102 nan 4.420 nan 0.000 0.225 76 P C 1.507 178.722 177.300 -0.142 0.000 1.148 76 P CA 0.464 63.551 63.100 -0.023 0.000 0.779 76 P CB 0.279 31.957 31.700 -0.037 0.000 0.780 77 R N -0.769 119.486 120.500 -0.408 0.000 2.127 77 R HA -0.097 4.247 4.340 0.005 0.000 0.238 77 R C 1.425 177.306 176.300 -0.699 0.000 1.134 77 R CA 1.219 56.854 56.100 -0.775 0.000 0.975 77 R CB -0.209 29.148 30.300 -1.572 0.000 0.865 77 R HN 0.366 nan 8.270 nan 0.000 0.447 78 W N 0.366 121.727 121.300 0.101 0.000 3.194 78 W HA 0.132 4.797 4.660 0.008 0.000 0.408 78 W C 0.110 176.765 176.519 0.226 0.000 1.072 78 W CA -0.651 56.816 57.345 0.203 0.000 1.953 78 W CB 0.200 29.620 29.460 -0.066 0.000 1.091 78 W HN 0.042 nan 8.180 nan 0.000 0.699 79 D N 0.943 121.468 120.400 0.208 0.000 2.219 79 D HA -0.082 4.561 4.640 0.005 0.000 0.205 79 D C 2.249 178.625 176.300 0.126 0.000 0.970 79 D CA 0.940 55.025 54.000 0.141 0.000 0.851 79 D CB -0.153 40.682 40.800 0.058 0.000 0.943 79 D HN 0.039 nan 8.370 nan 0.000 0.488 80 A N -0.315 122.572 122.820 0.112 0.000 2.168 80 A HA -0.083 4.240 4.320 0.005 0.000 0.215 80 A C 0.363 177.923 177.584 -0.041 0.000 1.152 80 A CA 0.266 52.303 52.037 0.000 0.000 0.716 80 A CB -0.491 18.460 19.000 -0.081 0.000 0.794 80 A HN 0.125 nan 8.150 nan 0.000 0.465 81 Y N 0.129 120.476 120.300 0.077 0.000 2.309 81 Y HA 0.356 4.909 4.550 0.005 0.000 0.327 81 Y C -2.049 173.878 175.900 0.046 0.000 1.172 81 Y CA -2.247 55.901 58.100 0.080 0.000 1.280 81 Y CB 0.232 38.771 38.460 0.133 0.000 1.234 81 Y HN 0.070 nan 8.280 nan 0.000 0.512 82 P HA 0.016 nan 4.420 nan 0.000 0.269 82 P C -2.027 175.326 177.300 0.088 0.000 1.209 82 P CA -0.860 62.291 63.100 0.086 0.000 0.776 82 P CB 0.459 32.197 31.700 0.062 0.000 0.876 83 P HA -0.288 nan 4.420 nan 0.000 0.218 83 P C 1.082 178.381 177.300 -0.001 0.000 1.152 83 P CA 2.187 65.294 63.100 0.011 0.000 0.857 83 P CB -0.308 31.380 31.700 -0.020 0.000 0.787 84 A N -1.184 121.639 122.820 0.004 0.000 2.119 84 A HA -0.111 4.212 4.320 0.005 0.000 0.217 84 A C 1.891 179.477 177.584 0.003 0.000 1.153 84 A CA 1.273 53.307 52.037 -0.005 0.000 0.692 84 A CB -0.660 18.339 19.000 -0.002 0.000 0.799 84 A HN 0.187 nan 8.150 nan 0.000 0.458 85 K N -0.460 119.961 120.400 0.036 0.000 2.358 85 K HA 0.113 4.436 4.320 0.005 0.000 0.200 85 K C -0.190 176.387 176.600 -0.039 0.000 1.030 85 K CA -0.404 55.898 56.287 0.025 0.000 1.097 85 K CB 0.401 32.983 32.500 0.137 0.000 0.862 85 K HN 0.243 nan 8.250 nan 0.000 0.534 86 R N 1.047 121.544 120.500 -0.006 0.000 2.640 86 R HA -0.013 4.330 4.340 0.005 0.000 0.270 86 R C -1.998 174.229 176.300 -0.123 0.000 1.024 86 R CA -1.469 54.615 56.100 -0.026 0.000 1.085 86 R CB -0.560 29.748 30.300 0.012 0.000 0.963 86 R HN -0.084 nan 8.270 nan 0.000 0.426 87 P HA -0.237 nan 4.420 nan 0.000 0.218 87 P C 0.888 178.083 177.300 -0.176 0.000 1.152 87 P CA 1.570 64.501 63.100 -0.281 0.000 0.857 87 P CB 0.164 31.666 31.700 -0.330 0.000 0.787 88 E N -0.732 119.404 120.200 -0.106 0.000 2.338 88 E HA -0.190 4.163 4.350 0.005 0.000 0.197 88 E C 1.621 178.176 176.600 -0.074 0.000 1.007 88 E CA 0.885 57.239 56.400 -0.077 0.000 0.849 88 E CB -0.855 28.812 29.700 -0.054 0.000 0.774 88 E HN 0.355 nan 8.360 nan 0.000 0.506 89 Q N 0.737 120.487 119.800 -0.084 0.000 2.167 89 Q HA -0.023 4.320 4.340 0.005 0.000 0.202 89 Q C 2.315 178.277 176.000 -0.064 0.000 0.970 89 Q CA 1.478 57.242 55.803 -0.064 0.000 0.855 89 Q CB -0.703 27.998 28.738 -0.062 0.000 0.911 89 Q HN 0.510 nan 8.270 nan 0.000 0.438 90 G N 1.213 109.947 108.800 -0.109 0.000 2.418 90 G HA2 -0.236 3.728 3.960 0.005 0.000 0.217 90 G HA3 -0.236 3.728 3.960 0.005 0.000 0.217 90 G C 1.501 176.323 174.900 -0.130 0.000 1.158 90 G CA 0.871 45.888 45.100 -0.138 0.000 0.771 90 G HN 0.340 nan 8.290 nan 0.000 0.545 91 L N 0.496 121.658 121.223 -0.103 0.000 1.994 91 L HA 0.104 4.447 4.340 0.005 0.000 0.208 91 L C 2.704 179.572 176.870 -0.003 0.000 1.071 91 L CA 1.453 56.250 54.840 -0.072 0.000 0.745 91 L CB -0.577 41.453 42.059 -0.048 0.000 0.892 91 L HN 0.209 nan 8.230 nan 0.000 0.431 92 L N -0.743 120.511 121.223 0.051 0.000 2.046 92 L HA -0.203 4.140 4.340 0.005 0.000 0.208 92 L C 2.747 179.745 176.870 0.213 0.000 1.077 92 L CA 1.417 56.378 54.840 0.201 0.000 0.747 92 L CB -0.503 41.650 42.059 0.158 0.000 0.896 92 L HN 0.231 nan 8.230 nan 0.000 0.432 93 R N -0.350 120.203 120.500 0.089 0.000 2.148 93 R HA -0.085 4.258 4.340 0.005 0.000 0.227 93 R C 2.254 178.535 176.300 -0.032 0.000 1.103 93 R CA 0.907 57.028 56.100 0.035 0.000 0.983 93 R CB -0.169 30.128 30.300 -0.005 0.000 0.874 93 R HN 0.319 nan 8.270 nan 0.000 0.451 94 L N -0.047 121.137 121.223 -0.065 0.000 2.044 94 L HA -0.119 4.224 4.340 0.005 0.000 0.205 94 L C 2.399 179.226 176.870 -0.072 0.000 1.075 94 L CA 1.323 56.099 54.840 -0.106 0.000 0.747 94 L CB -0.206 41.748 42.059 -0.174 0.000 0.903 94 L HN 0.124 nan 8.230 nan 0.000 0.435 95 R N -0.125 120.352 120.500 -0.039 0.000 2.091 95 R HA -0.228 4.115 4.340 0.005 0.000 0.238 95 R C 2.261 178.502 176.300 -0.099 0.000 1.136 95 R CA 1.524 57.601 56.100 -0.039 0.000 0.959 95 R CB -0.269 30.056 30.300 0.041 0.000 0.856 95 R HN 0.072 nan 8.270 nan 0.000 0.437 96 K N 0.197 120.505 120.400 -0.154 0.000 2.076 96 K HA -0.013 4.310 4.320 0.005 0.000 0.204 96 K C 1.987 178.485 176.600 -0.170 0.000 1.051 96 K CA 1.467 57.566 56.287 -0.313 0.000 0.949 96 K CB -0.568 31.632 32.500 -0.499 0.000 0.726 96 K HN 0.193 nan 8.250 nan 0.000 0.443 97 G N 0.139 108.877 108.800 -0.103 0.000 2.418 97 G HA2 -0.166 3.798 3.960 0.005 0.000 0.217 97 G HA3 -0.166 3.798 3.960 0.005 0.000 0.217 97 G C 0.965 175.833 174.900 -0.053 0.000 1.158 97 G CA 0.819 45.878 45.100 -0.068 0.000 0.771 97 G HN 0.257 nan 8.290 nan 0.000 0.545 98 L N 0.447 121.639 121.223 -0.053 0.000 2.611 98 L HA 0.273 4.616 4.340 0.005 0.000 0.229 98 L C 0.643 177.497 176.870 -0.027 0.000 1.137 98 L CA -0.065 54.756 54.840 -0.032 0.000 0.901 98 L CB -0.163 41.878 42.059 -0.030 0.000 1.098 98 L HN 0.199 nan 8.230 nan 0.000 0.456 99 D N 0.590 120.965 120.400 -0.042 0.000 2.697 99 D HA -0.250 4.393 4.640 0.005 0.000 0.235 99 D C -0.131 176.195 176.300 0.042 0.000 1.167 99 D CA 0.581 54.578 54.000 -0.004 0.000 0.656 99 D CB -0.782 40.037 40.800 0.032 0.000 1.025 99 D HN 0.223 nan 8.370 nan 0.000 0.419 100 L N 1.716 122.920 121.223 -0.033 0.000 2.387 100 L HA 0.137 4.480 4.340 0.005 0.000 0.267 100 L C 1.609 178.435 176.870 -0.074 0.000 1.197 100 L CA -0.708 54.068 54.840 -0.105 0.000 1.070 100 L CB -0.492 41.491 42.059 -0.127 0.000 1.349 100 L HN 0.261 nan 8.230 nan 0.000 0.422 101 Y N 0.801 121.072 120.300 -0.048 0.000 2.457 101 Y HA 0.260 4.812 4.550 0.003 0.000 0.292 101 Y C 1.066 176.957 175.900 -0.015 0.000 1.125 101 Y CA -0.098 57.990 58.100 -0.021 0.000 1.254 101 Y CB -0.084 38.372 38.460 -0.006 0.000 1.012 101 Y HN 0.367 nan 8.280 nan 0.000 0.555 102 A N 2.303 124.876 122.820 -0.412 0.000 2.341 102 A HA 0.218 4.541 4.320 0.005 0.000 0.326 102 A C -0.615 176.851 177.584 -0.197 0.000 1.402 102 A CA -0.677 51.210 52.037 -0.250 0.000 0.957 102 A CB -0.414 18.355 19.000 -0.385 0.000 1.151 102 A HN 0.561 nan 8.150 nan 0.000 0.533 103 N N 3.447 122.087 118.700 -0.101 0.000 2.422 103 N HA 0.465 5.209 4.740 0.005 0.000 0.266 103 N C -1.244 174.214 175.510 -0.087 0.000 1.007 103 N CA -0.261 52.728 53.050 -0.102 0.000 0.941 103 N CB 0.646 39.095 38.487 -0.063 0.000 1.115 103 N HN 0.585 nan 8.380 nan 0.000 0.492 104 L N 4.153 125.312 121.223 -0.106 0.000 2.305 104 L HA 0.495 4.838 4.340 0.005 0.000 0.284 104 L C 0.014 176.861 176.870 -0.038 0.000 1.013 104 L CA -0.619 54.174 54.840 -0.078 0.000 0.819 104 L CB 1.609 43.598 42.059 -0.117 0.000 1.227 104 L HN 0.402 nan 8.230 nan 0.000 0.417 105 R N 4.205 124.693 120.500 -0.020 0.000 2.487 105 R HA 0.304 4.647 4.340 0.005 0.000 0.288 105 R C -2.653 173.653 176.300 0.010 0.000 1.394 105 R CA -1.579 54.521 56.100 -0.000 0.000 1.155 105 R CB 1.685 31.980 30.300 -0.009 0.000 1.156 105 R HN 0.317 nan 8.270 nan 0.000 0.553 106 P HA 0.091 nan 4.420 nan 0.000 0.276 106 P C -0.787 176.538 177.300 0.041 0.000 1.243 106 P CA -0.190 62.930 63.100 0.034 0.000 0.768 106 P CB 1.527 33.257 31.700 0.049 0.000 0.856 107 A N 3.501 126.339 122.820 0.029 0.000 2.412 107 A HA 0.446 4.770 4.320 0.005 0.000 0.334 107 A C 0.004 177.610 177.584 0.036 0.000 1.419 107 A CA -0.299 51.760 52.037 0.037 0.000 0.930 107 A CB 0.123 19.134 19.000 0.020 0.000 1.149 107 A HN 0.486 nan 8.150 nan 0.000 0.515 108 Q N 1.551 121.378 119.800 0.045 0.000 2.413 108 Q HA 0.718 5.062 4.340 0.005 0.000 0.276 108 Q C -1.527 174.509 176.000 0.060 0.000 1.099 108 Q CA -0.512 55.298 55.803 0.011 0.000 0.814 108 Q CB 1.675 30.374 28.738 -0.065 0.000 1.379 108 Q HN 0.730 nan 8.270 nan 0.000 0.436 109 I N 2.871 123.464 120.570 0.039 0.000 2.404 109 I HA 0.465 4.638 4.170 0.005 0.000 0.293 109 I C -1.168 175.010 176.117 0.102 0.000 0.992 109 I CA -0.983 60.391 61.300 0.123 0.000 1.149 109 I CB 0.683 38.736 38.000 0.088 0.000 1.315 109 I HN 0.603 nan 8.210 nan 0.000 0.446 110 F N 8.728 128.690 119.950 0.020 0.000 2.456 110 F HA 0.317 4.847 4.527 0.005 0.000 0.358 110 F C -1.465 174.344 175.800 0.015 0.000 1.095 110 F CA -1.593 56.417 58.000 0.018 0.000 1.216 110 F CB 0.252 39.263 39.000 0.018 0.000 1.125 110 F HN 0.416 nan 8.300 nan 0.000 0.549 111 P HA -0.256 nan 4.420 nan 0.000 0.218 111 P C 1.242 178.596 177.300 0.091 0.000 1.152 111 P CA 1.699 64.849 63.100 0.082 0.000 0.857 111 P CB 0.082 31.812 31.700 0.051 0.000 0.787 112 Q N -1.028 118.843 119.800 0.119 0.000 2.425 112 Q HA 0.040 4.383 4.340 0.005 0.000 0.204 112 Q C 1.180 177.222 176.000 0.071 0.000 0.933 112 Q CA 0.817 56.669 55.803 0.081 0.000 0.939 112 Q CB -0.439 28.342 28.738 0.072 0.000 1.044 112 Q HN 0.349 nan 8.270 nan 0.000 0.513 113 L N 0.615 121.899 121.223 0.100 0.000 2.965 113 L HA 0.274 4.617 4.340 0.005 0.000 0.254 113 L C 1.566 178.480 176.870 0.074 0.000 1.220 113 L CA -0.156 54.728 54.840 0.073 0.000 1.023 113 L CB 0.135 42.235 42.059 0.068 0.000 1.355 113 L HN 0.068 nan 8.230 nan 0.000 0.545 114 L N 0.362 121.627 121.223 0.069 0.000 2.201 114 L HA -0.202 4.141 4.340 0.005 0.000 0.212 114 L C 1.918 178.813 176.870 0.041 0.000 1.105 114 L CA 1.480 56.353 54.840 0.056 0.000 0.775 114 L CB 0.115 42.203 42.059 0.047 0.000 0.913 114 L HN 0.376 nan 8.230 nan 0.000 0.440 115 D N -0.633 119.787 120.400 0.034 0.000 2.264 115 D HA -0.164 4.479 4.640 0.005 0.000 0.208 115 D C 2.053 178.367 176.300 0.024 0.000 0.966 115 D CA 0.989 55.004 54.000 0.025 0.000 0.864 115 D CB 0.244 41.056 40.800 0.020 0.000 0.933 115 D HN 0.364 nan 8.370 nan 0.000 0.499 116 A N -0.364 122.473 122.820 0.027 0.000 2.066 116 A HA 0.041 4.365 4.320 0.005 0.000 0.218 116 A C 1.419 179.019 177.584 0.028 0.000 1.157 116 A CA 0.371 52.423 52.037 0.024 0.000 0.670 116 A CB -0.357 18.657 19.000 0.024 0.000 0.804 116 A HN 0.234 nan 8.150 nan 0.000 0.453 117 S N 0.582 116.303 115.700 0.034 0.000 2.549 117 S HA 0.229 4.702 4.470 0.005 0.000 0.286 117 S C -0.854 173.762 174.600 0.027 0.000 1.314 117 S CA -0.640 57.581 58.200 0.034 0.000 1.062 117 S CB 0.758 63.981 63.200 0.038 0.000 0.865 117 S HN 0.352 nan 8.310 nan 0.000 0.498 118 P HA 0.140 nan 4.420 nan 0.000 0.235 118 P C 0.092 177.404 177.300 0.021 0.000 1.177 118 P CA 0.281 63.393 63.100 0.021 0.000 0.785 118 P CB 0.143 31.855 31.700 0.020 0.000 0.885 119 L N 0.463 121.700 121.223 0.024 0.000 2.456 119 L HA 0.293 4.636 4.340 0.005 0.000 0.257 119 L C 1.146 178.029 176.870 0.021 0.000 1.162 119 L CA -1.027 53.827 54.840 0.023 0.000 0.808 119 L CB 0.329 42.405 42.059 0.028 0.000 1.136 119 L HN -0.217 nan 8.230 nan 0.000 0.466 120 R N 1.486 121.997 120.500 0.019 0.000 2.421 120 R HA 0.051 4.394 4.340 0.005 0.000 0.305 120 R C -1.613 174.697 176.300 0.017 0.000 1.039 120 R CA -1.397 54.712 56.100 0.016 0.000 1.003 120 R CB 0.126 30.434 30.300 0.013 0.000 0.959 120 R HN 0.368 nan 8.270 nan 0.000 0.427 121 P HA -0.335 nan 4.420 nan 0.000 0.226 121 P C 1.091 178.401 177.300 0.016 0.000 1.154 121 P CA 1.624 64.735 63.100 0.018 0.000 0.901 121 P CB 0.126 31.836 31.700 0.016 0.000 0.788 122 E N -0.491 119.717 120.200 0.013 0.000 2.204 122 E HA -0.145 4.208 4.350 0.005 0.000 0.195 122 E C 1.928 178.535 176.600 0.012 0.000 0.990 122 E CA 1.137 57.543 56.400 0.011 0.000 0.821 122 E CB -1.110 28.595 29.700 0.008 0.000 0.750 122 E HN 0.305 nan 8.360 nan 0.000 0.477 123 L N 0.640 121.873 121.223 0.015 0.000 2.049 123 L HA -0.037 4.307 4.340 0.005 0.000 0.203 123 L C 2.743 179.627 176.870 0.025 0.000 1.074 123 L CA 0.826 55.677 54.840 0.019 0.000 0.749 123 L CB -0.463 41.609 42.059 0.023 0.000 0.907 123 L HN 0.028 nan 8.230 nan 0.000 0.439 124 V N 0.106 120.036 119.914 0.028 0.000 2.667 124 V HA -0.213 3.910 4.120 0.005 0.000 0.252 124 V C 2.694 178.805 176.094 0.028 0.000 1.065 124 V CA 1.389 63.708 62.300 0.033 0.000 1.083 124 V CB -0.422 31.423 31.823 0.035 0.000 0.692 124 V HN 0.424 nan 8.190 nan 0.000 0.468 125 R N 0.289 120.802 120.500 0.022 0.000 2.178 125 R HA -0.205 4.139 4.340 0.005 0.000 0.257 125 R C 1.038 177.345 176.300 0.012 0.000 1.163 125 R CA 2.313 58.423 56.100 0.017 0.000 0.981 125 R CB -0.181 30.127 30.300 0.013 0.000 0.878 125 R HN 0.605 nan 8.270 nan 0.000 0.454 126 D N -0.079 120.327 120.400 0.011 0.000 2.501 126 D HA 0.041 4.685 4.640 0.005 0.000 0.226 126 D C -0.494 175.813 176.300 0.013 0.000 1.198 126 D CA -0.115 53.889 54.000 0.006 0.000 0.830 126 D CB 0.662 41.463 40.800 0.002 0.000 1.014 126 D HN 0.005 nan 8.370 nan 0.000 0.496 127 V N 1.674 121.602 119.914 0.023 0.000 2.485 127 V HA 0.054 4.177 4.120 0.005 0.000 0.287 127 V C -0.408 175.701 176.094 0.025 0.000 1.022 127 V CA 0.675 62.997 62.300 0.036 0.000 1.067 127 V CB 0.924 32.775 31.823 0.047 0.000 0.967 127 V HN 0.017 nan 8.190 nan 0.000 0.479 128 D N 6.602 127.021 120.400 0.032 0.000 2.381 128 D HA 0.362 5.006 4.640 0.005 0.000 0.245 128 D C -0.764 175.559 176.300 0.038 0.000 1.297 128 D CA -0.204 53.808 54.000 0.019 0.000 0.931 128 D CB 0.676 41.479 40.800 0.005 0.000 1.334 128 D HN 0.489 nan 8.370 nan 0.000 0.535 129 I N 1.819 122.412 120.570 0.038 0.000 2.603 129 I HA 0.445 4.618 4.170 0.005 0.000 0.300 129 I C -0.691 175.436 176.117 0.015 0.000 1.017 129 I CA -1.240 60.083 61.300 0.039 0.000 1.098 129 I CB 2.482 40.500 38.000 0.029 0.000 1.279 129 I HN 0.142 nan 8.210 nan 0.000 0.437 130 L N 6.703 127.930 121.223 0.007 0.000 2.372 130 L HA 0.527 4.870 4.340 0.005 0.000 0.274 130 L C -1.011 175.845 176.870 -0.024 0.000 0.988 130 L CA -0.416 54.423 54.840 -0.003 0.000 0.833 130 L CB 1.615 43.677 42.059 0.003 0.000 1.236 130 L HN 0.301 nan 8.230 nan 0.000 0.410 131 V N 6.088 125.983 119.914 -0.031 0.000 2.406 131 V HA 0.389 4.513 4.120 0.005 0.000 0.272 131 V C -0.209 175.866 176.094 -0.031 0.000 1.043 131 V CA -0.494 61.779 62.300 -0.044 0.000 0.915 131 V CB 1.564 33.355 31.823 -0.054 0.000 0.988 131 V HN 0.514 nan 8.190 nan 0.000 0.466 132 V N 6.727 126.627 119.914 -0.023 0.000 2.311 132 V HA 0.463 4.586 4.120 0.005 0.000 0.275 132 V C 0.245 176.357 176.094 0.029 0.000 1.022 132 V CA -0.591 61.702 62.300 -0.011 0.000 0.830 132 V CB 1.080 32.892 31.823 -0.018 0.000 1.012 132 V HN 0.862 nan 8.190 nan 0.000 0.452 133 R N 3.740 124.252 120.500 0.021 0.000 2.387 133 R HA 0.368 4.711 4.340 0.005 0.000 0.314 133 R C -0.178 176.169 176.300 0.077 0.000 0.958 133 R CA -0.603 55.520 56.100 0.039 0.000 0.846 133 R CB 1.348 31.641 30.300 -0.013 0.000 1.147 133 R HN 0.671 nan 8.270 nan 0.000 0.447 134 E N 4.225 124.524 120.200 0.166 0.000 2.376 134 E HA -0.039 4.314 4.350 0.005 0.000 0.266 134 E C -0.263 176.421 176.600 0.141 0.000 1.009 134 E CA 0.115 56.654 56.400 0.231 0.000 0.902 134 E CB 1.189 31.120 29.700 0.385 0.000 0.972 134 E HN 0.605 nan 8.360 nan 0.000 0.439 135 L N 3.971 125.277 121.223 0.138 0.000 2.672 135 L HA 0.055 4.398 4.340 0.005 0.000 0.236 135 L C 1.750 178.720 176.870 0.166 0.000 1.092 135 L CA 1.023 55.913 54.840 0.082 0.000 0.887 135 L CB 0.257 42.337 42.059 0.033 0.000 1.168 135 L HN 0.657 nan 8.230 nan 0.000 0.502 136 T N -4.306 110.339 114.554 0.151 0.000 3.054 136 T HA 0.465 4.818 4.350 0.005 0.000 0.255 136 T C 0.877 175.609 174.700 0.053 0.000 1.035 136 T CA 0.274 62.355 62.100 -0.032 0.000 0.941 136 T CB 0.352 69.142 68.868 -0.130 0.000 1.026 136 T HN 0.173 nan 8.240 nan 0.000 0.533 137 G N 0.205 109.155 108.800 0.249 0.000 3.135 137 G HA2 0.599 4.562 3.960 0.005 0.000 0.159 137 G HA3 0.599 4.562 3.960 0.005 0.000 0.159 137 G C -0.815 174.073 174.900 -0.020 0.000 1.244 137 G CA 0.059 45.252 45.100 0.155 0.000 0.965 137 G HN 0.314 nan 8.290 nan 0.000 0.599 138 D N -2.126 117.879 120.400 -0.659 0.000 4.658 138 D HA -0.227 4.416 4.640 0.005 0.000 0.304 138 D C 1.329 177.494 176.300 -0.224 0.000 2.363 138 D CA 0.738 54.334 54.000 -0.674 0.000 1.179 138 D CB -0.690 39.882 40.800 -0.381 0.000 1.091 138 D HN 0.515 nan 8.370 nan 0.000 1.274 139 I N 0.443 120.920 120.570 -0.154 0.000 2.530 139 I HA -0.304 3.869 4.170 0.005 0.000 0.257 139 I C 1.797 177.891 176.117 -0.038 0.000 1.179 139 I CA 1.116 62.373 61.300 -0.073 0.000 1.440 139 I CB -0.148 37.810 38.000 -0.069 0.000 1.087 139 I HN 0.397 nan 8.210 nan 0.000 0.440 140 Y N 0.306 120.454 120.300 -0.252 0.000 2.165 140 Y HA -0.200 4.353 4.550 0.004 0.000 0.286 140 Y C 1.505 177.007 175.900 -0.663 0.000 1.155 140 Y CA 1.856 59.677 58.100 -0.464 0.000 1.164 140 Y CB -0.343 37.796 38.460 -0.536 0.000 0.978 140 Y HN 0.175 nan 8.280 nan 0.000 0.513 141 F N -1.260 118.731 119.950 0.069 0.000 2.698 141 F HA 0.393 4.925 4.527 0.008 0.000 0.304 141 F C 1.234 177.018 175.800 -0.027 0.000 1.108 141 F CA -0.570 57.437 58.000 0.011 0.000 1.263 141 F CB -0.156 38.856 39.000 0.021 0.000 1.013 141 F HN -0.218 nan 8.300 nan 0.000 0.532 142 G N 0.552 109.386 108.800 0.056 0.000 2.442 142 G HA2 0.410 4.373 3.960 0.005 0.000 0.249 142 G HA3 0.410 4.373 3.960 0.005 0.000 0.249 142 G C -0.784 174.129 174.900 0.021 0.000 1.263 142 G CA 0.020 45.132 45.100 0.020 0.000 0.846 142 G HN 0.124 nan 8.290 nan 0.000 0.555 143 Q N 0.758 120.579 119.800 0.035 0.000 2.365 143 Q HA 0.519 4.862 4.340 0.005 0.000 0.269 143 Q C -2.130 173.906 176.000 0.061 0.000 1.061 143 Q CA -1.523 54.307 55.803 0.046 0.000 0.816 143 Q CB 2.798 31.565 28.738 0.047 0.000 1.325 143 Q HN 0.456 nan 8.270 nan 0.000 0.446 144 P HA 0.433 nan 4.420 nan 0.000 0.278 144 P C -1.315 176.079 177.300 0.156 0.000 1.266 144 P CA -0.479 62.711 63.100 0.150 0.000 0.807 144 P CB 1.073 32.906 31.700 0.222 0.000 1.094 145 R N -1.390 119.131 120.500 0.035 0.000 2.716 145 R HA 0.760 5.103 4.340 0.005 0.000 0.271 145 R C -0.725 175.135 176.300 -0.732 0.000 1.028 145 R CA -0.693 55.213 56.100 -0.324 0.000 0.883 145 R CB 0.943 31.117 30.300 -0.210 0.000 1.250 145 R HN 0.774 nan 8.270 nan 0.000 0.465 146 G N 0.180 108.280 108.800 -1.166 0.000 2.340 146 G HA2 0.300 4.263 3.960 0.005 0.000 0.282 146 G HA3 0.300 4.263 3.960 0.005 0.000 0.282 146 G C -2.363 172.011 174.900 -0.877 0.000 1.312 146 G CA -0.771 43.801 45.100 -0.881 0.000 0.942 146 G HN 0.433 nan 8.290 nan 0.000 0.495 147 L N 1.391 122.421 121.223 -0.322 0.000 2.409 147 L HA 0.708 5.051 4.340 0.005 0.000 0.272 147 L C 0.063 177.006 176.870 0.122 0.000 0.980 147 L CA -0.525 54.283 54.840 -0.053 0.000 0.826 147 L CB 1.699 43.723 42.059 -0.059 0.000 1.268 147 L HN 0.964 nan 8.230 nan 0.000 0.407 148 E N 2.827 123.177 120.200 0.250 0.000 2.431 148 E HA 0.791 5.145 4.350 0.005 0.000 0.268 148 E C -1.646 175.017 176.600 0.104 0.000 0.953 148 E CA -0.969 55.540 56.400 0.182 0.000 0.810 148 E CB 2.343 32.176 29.700 0.222 0.000 1.369 148 E HN 0.146 nan 8.360 nan 0.000 0.440 149 V N 1.814 121.765 119.914 0.062 0.000 2.444 149 V HA 0.365 4.488 4.120 0.005 0.000 0.294 149 V C -0.725 175.380 176.094 0.018 0.000 1.022 149 V CA -0.760 61.561 62.300 0.035 0.000 0.850 149 V CB 1.312 33.150 31.823 0.025 0.000 0.992 149 V HN 0.546 nan 8.190 nan 0.000 0.426 150 I N 3.558 124.133 120.570 0.008 0.000 2.389 150 I HA 0.451 4.624 4.170 0.005 0.000 0.288 150 I C 0.133 176.247 176.117 -0.005 0.000 0.999 150 I CA -0.325 60.971 61.300 -0.007 0.000 1.129 150 I CB 1.526 39.512 38.000 -0.023 0.000 1.288 150 I HN 0.649 nan 8.210 nan 0.000 0.444 151 D N 5.281 125.677 120.400 -0.006 0.000 2.689 151 D HA -0.187 4.456 4.640 0.005 0.000 0.237 151 D C 1.281 177.581 176.300 -0.001 0.000 1.148 151 D CA 1.538 55.535 54.000 -0.005 0.000 0.656 151 D CB -0.920 39.876 40.800 -0.007 0.000 1.050 151 D HN 1.148 nan 8.370 nan 0.000 0.426 152 G N -1.063 107.738 108.800 0.002 0.000 2.189 152 G HA2 -0.353 3.610 3.960 0.005 0.000 0.267 152 G HA3 -0.353 3.610 3.960 0.005 0.000 0.267 152 G C 0.198 175.101 174.900 0.006 0.000 0.975 152 G CA 0.724 45.826 45.100 0.004 0.000 0.644 152 G HN 0.369 nan 8.290 nan 0.000 0.537 153 K N 0.383 120.787 120.400 0.007 0.000 2.292 153 K HA 0.460 4.783 4.320 0.005 0.000 0.257 153 K C 0.477 177.089 176.600 0.019 0.000 0.940 153 K CA -0.905 55.388 56.287 0.010 0.000 0.811 153 K CB 1.545 34.050 32.500 0.007 0.000 1.120 153 K HN 0.296 nan 8.250 nan 0.000 0.428 154 R N 1.613 122.126 120.500 0.022 0.000 2.489 154 R HA 0.127 4.470 4.340 0.005 0.000 0.287 154 R C 0.354 176.683 176.300 0.049 0.000 1.053 154 R CA 0.228 56.349 56.100 0.035 0.000 1.036 154 R CB 0.589 30.905 30.300 0.026 0.000 0.966 154 R HN 0.389 nan 8.270 nan 0.000 0.432 155 R N 1.591 122.142 120.500 0.085 0.000 2.513 155 R HA 0.371 4.714 4.340 0.005 0.000 0.301 155 R C -1.024 175.414 176.300 0.230 0.000 0.968 155 R CA -0.494 55.680 56.100 0.124 0.000 0.872 155 R CB 1.811 32.167 30.300 0.093 0.000 1.177 155 R HN 0.786 nan 8.270 nan 0.000 0.444 156 G N 3.975 112.885 108.800 0.184 0.000 2.415 156 G HA2 0.600 4.563 3.960 0.005 0.000 0.327 156 G HA3 0.600 4.563 3.960 0.005 0.000 0.327 156 G C -1.157 173.882 174.900 0.231 0.000 1.182 156 G CA -0.534 44.643 45.100 0.128 0.000 0.924 156 G HN 0.489 nan 8.290 nan 0.000 0.470 157 F N -0.323 119.609 119.950 -0.029 0.000 2.613 157 F HA 0.773 5.303 4.527 0.005 0.000 0.310 157 F C -0.925 174.851 175.800 -0.040 0.000 1.085 157 F CA -1.983 55.999 58.000 -0.030 0.000 0.945 157 F CB 1.577 40.563 39.000 -0.023 0.000 1.298 157 F HN 0.402 nan 8.300 nan 0.000 0.455 158 N N -0.762 117.971 118.700 0.056 0.000 2.484 158 N HA 0.625 5.368 4.740 0.005 0.000 0.269 158 N C -1.834 173.695 175.510 0.032 0.000 1.237 158 N CA -0.907 52.125 53.050 -0.030 0.000 0.838 158 N CB 2.615 41.048 38.487 -0.089 0.000 1.593 158 N HN 0.741 nan 8.380 nan 0.000 0.485 159 T N 1.291 115.851 114.554 0.011 0.000 2.770 159 T HA 0.355 4.708 4.350 0.005 0.000 0.283 159 T C -0.433 174.247 174.700 -0.033 0.000 0.988 159 T CA -0.409 61.699 62.100 0.013 0.000 0.957 159 T CB 0.591 69.480 68.868 0.034 0.000 0.930 159 T HN 0.330 nan 8.240 nan 0.000 0.443 160 M N 5.009 124.583 119.600 -0.044 0.000 2.180 160 M HA 0.688 5.171 4.480 0.005 0.000 0.358 160 M C -1.197 175.047 176.300 -0.093 0.000 1.233 160 M CA -0.281 54.961 55.300 -0.097 0.000 1.114 160 M CB 0.544 33.090 32.600 -0.090 0.000 1.594 160 M HN 0.501 nan 8.290 nan 0.000 0.467 161 V N 6.050 125.855 119.914 -0.182 0.000 3.023 161 V HA 0.592 4.715 4.120 0.005 0.000 0.294 161 V C -2.430 173.525 176.094 -0.232 0.000 1.324 161 V CA -0.396 61.833 62.300 -0.119 0.000 0.979 161 V CB 2.481 34.276 31.823 -0.048 0.000 1.093 161 V HN 0.897 nan 8.190 nan 0.000 0.434 162 Y N 3.630 123.975 120.300 0.075 0.000 2.513 162 Y HA 0.641 5.194 4.550 0.005 0.000 0.340 162 Y C -0.411 175.527 175.900 0.063 0.000 1.055 162 Y CA -1.183 56.973 58.100 0.094 0.000 1.020 162 Y CB 2.039 40.603 38.460 0.173 0.000 1.301 162 Y HN 0.954 nan 8.280 nan 0.000 0.453 163 D N -0.796 119.750 120.400 0.244 0.000 2.392 163 D HA 0.270 4.914 4.640 0.005 0.000 0.246 163 D C 0.685 177.022 176.300 0.061 0.000 1.013 163 D CA -0.705 53.365 54.000 0.117 0.000 0.993 163 D CB 0.863 41.706 40.800 0.071 0.000 1.219 163 D HN 0.645 nan 8.370 nan 0.000 0.538 164 E N -0.012 120.197 120.200 0.015 0.000 2.204 164 E HA -0.253 4.100 4.350 0.005 0.000 0.195 164 E C 0.365 176.921 176.600 -0.073 0.000 0.990 164 E CA 1.004 57.381 56.400 -0.039 0.000 0.821 164 E CB -0.246 29.436 29.700 -0.031 0.000 0.750 164 E HN 0.394 nan 8.360 nan 0.000 0.477 165 D N 1.484 121.855 120.400 -0.049 0.000 2.123 165 D HA -0.106 4.537 4.640 0.005 0.000 0.200 165 D C 1.765 177.994 176.300 -0.119 0.000 0.976 165 D CA 0.973 54.930 54.000 -0.072 0.000 0.831 165 D CB -0.140 40.629 40.800 -0.052 0.000 0.974 165 D HN 0.385 nan 8.370 nan 0.000 0.469 166 E N 0.277 120.428 120.200 -0.082 0.000 2.110 166 E HA -0.108 4.246 4.350 0.005 0.000 0.193 166 E C 2.256 178.717 176.600 -0.233 0.000 0.988 166 E CA 0.567 56.913 56.400 -0.090 0.000 0.804 166 E CB 0.020 29.804 29.700 0.140 0.000 0.745 166 E HN 0.330 nan 8.360 nan 0.000 0.458 167 I N 0.366 120.746 120.570 -0.316 0.000 2.333 167 I HA -0.179 3.994 4.170 0.005 0.000 0.246 167 I C 2.669 178.505 176.117 -0.467 0.000 1.106 167 I CA 0.633 61.577 61.300 -0.594 0.000 1.411 167 I CB -0.174 37.452 38.000 -0.624 0.000 1.082 167 I HN -0.024 nan 8.210 nan 0.000 0.420 168 R N 1.791 122.113 120.500 -0.297 0.000 2.081 168 R HA -0.200 4.144 4.340 0.005 0.000 0.235 168 R C 2.607 178.819 176.300 -0.146 0.000 1.131 168 R CA 1.806 57.764 56.100 -0.237 0.000 0.960 168 R CB -0.163 30.067 30.300 -0.117 0.000 0.856 168 R HN 0.396 nan 8.270 nan 0.000 0.436 169 R N -0.183 120.241 120.500 -0.126 0.000 2.075 169 R HA -0.112 4.232 4.340 0.005 0.000 0.232 169 R C 2.112 178.443 176.300 0.053 0.000 1.126 169 R CA 1.562 57.621 56.100 -0.069 0.000 0.963 169 R CB -0.806 29.237 30.300 -0.429 0.000 0.858 169 R HN 0.239 nan 8.270 nan 0.000 0.435 170 I N 1.568 122.112 120.570 -0.044 0.000 2.546 170 I HA -0.028 4.145 4.170 0.005 0.000 0.255 170 I C 2.248 178.341 176.117 -0.039 0.000 1.163 170 I CA 0.967 62.310 61.300 0.071 0.000 1.457 170 I CB -0.065 37.963 38.000 0.046 0.000 1.092 170 I HN 0.334 nan 8.210 nan 0.000 0.434 171 A N -0.463 122.249 122.820 -0.180 0.000 1.930 171 A HA -0.218 4.105 4.320 0.005 0.000 0.217 171 A C 2.237 179.813 177.584 -0.014 0.000 1.175 171 A CA 1.597 53.531 52.037 -0.172 0.000 0.627 171 A CB -0.956 17.894 19.000 -0.250 0.000 0.815 171 A HN 0.540 nan 8.150 nan 0.000 0.443 172 H N -0.504 118.604 119.070 0.064 0.000 2.353 172 H HA -0.081 4.478 4.556 0.005 0.000 0.300 172 H C 2.342 177.705 175.328 0.057 0.000 1.090 172 H CA 1.778 57.888 56.048 0.102 0.000 1.327 172 H CB -0.497 29.351 29.762 0.143 0.000 1.383 172 H HN 0.272 nan 8.280 nan 0.000 0.508 173 V N 1.059 121.088 119.914 0.191 0.000 2.343 173 V HA -0.252 3.872 4.120 0.005 0.000 0.247 173 V C 2.797 178.899 176.094 0.014 0.000 1.051 173 V CA 1.630 63.992 62.300 0.103 0.000 1.036 173 V CB -1.017 30.857 31.823 0.084 0.000 0.654 173 V HN 0.464 nan 8.190 nan 0.000 0.451 174 A N -0.783 122.008 122.820 -0.049 0.000 1.898 174 A HA -0.151 4.172 4.320 0.005 0.000 0.216 174 A C 2.038 179.465 177.584 -0.260 0.000 1.181 174 A CA 1.616 53.559 52.037 -0.156 0.000 0.620 174 A CB -0.667 18.203 19.000 -0.218 0.000 0.819 174 A HN 0.445 nan 8.150 nan 0.000 0.442 175 F N -0.088 119.662 119.950 -0.333 0.000 2.146 175 F HA -0.079 4.451 4.527 0.005 0.000 0.298 175 F C 2.541 178.084 175.800 -0.427 0.000 1.096 175 F CA 1.657 59.291 58.000 -0.609 0.000 1.275 175 F CB -0.262 37.847 39.000 -1.485 0.000 1.008 175 F HN 0.098 nan 8.300 nan 0.000 0.480 176 R N -0.291 120.173 120.500 -0.060 0.000 2.075 176 R HA -0.106 4.238 4.340 0.005 0.000 0.232 176 R C 2.440 178.795 176.300 0.091 0.000 1.126 176 R CA 1.232 57.416 56.100 0.141 0.000 0.963 176 R CB -0.750 29.662 30.300 0.187 0.000 0.858 176 R HN 0.254 nan 8.270 nan 0.000 0.435 177 A N 1.024 123.865 122.820 0.035 0.000 1.902 177 A HA -0.132 4.191 4.320 0.005 0.000 0.217 177 A C 2.337 179.935 177.584 0.022 0.000 1.181 177 A CA 1.731 53.787 52.037 0.031 0.000 0.623 177 A CB -0.729 18.272 19.000 0.001 0.000 0.818 177 A HN 0.410 nan 8.150 nan 0.000 0.443 178 A N -0.751 122.061 122.820 -0.013 0.000 1.933 178 A HA -0.214 4.109 4.320 0.005 0.000 0.218 178 A C 2.116 179.729 177.584 0.049 0.000 1.175 178 A CA 1.621 53.655 52.037 -0.006 0.000 0.628 178 A CB -0.579 18.383 19.000 -0.064 0.000 0.814 178 A HN 0.661 nan 8.150 nan 0.000 0.444 179 Q N -0.937 118.921 119.800 0.095 0.000 2.061 179 Q HA -0.165 4.178 4.340 0.005 0.000 0.204 179 Q C 2.073 178.124 176.000 0.084 0.000 0.984 179 Q CA 1.386 57.263 55.803 0.123 0.000 0.846 179 Q CB -0.496 28.352 28.738 0.184 0.000 0.902 179 Q HN 0.682 nan 8.270 nan 0.000 0.421 180 G N 0.014 108.861 108.800 0.077 0.000 2.776 180 G HA2 -0.093 3.870 3.960 0.005 0.000 0.209 180 G HA3 -0.093 3.870 3.960 0.005 0.000 0.209 180 G C 0.789 175.715 174.900 0.043 0.000 1.145 180 G CA 0.065 45.201 45.100 0.059 0.000 0.791 180 G HN 0.105 nan 8.290 nan 0.000 0.530 181 R N -1.240 119.284 120.500 0.040 0.000 2.769 181 R HA 0.456 4.799 4.340 0.005 0.000 0.117 181 R C 1.259 177.574 176.300 0.025 0.000 1.152 181 R CA -0.810 55.306 56.100 0.027 0.000 0.887 181 R CB 0.251 30.564 30.300 0.023 0.000 1.099 181 R HN -0.103 nan 8.270 nan 0.000 0.398 182 R N 1.215 121.727 120.500 0.019 0.000 2.320 182 R HA 0.101 4.444 4.340 0.005 0.000 0.211 182 R C -0.396 175.916 176.300 0.021 0.000 0.931 182 R CA 0.236 56.345 56.100 0.016 0.000 1.071 182 R CB -0.014 30.291 30.300 0.008 0.000 1.025 182 R HN 0.360 nan 8.270 nan 0.000 0.495 183 K N 0.779 121.198 120.400 0.032 0.000 3.071 183 K HA -0.240 4.083 4.320 0.005 0.000 0.265 183 K C -0.874 175.746 176.600 0.034 0.000 1.060 183 K CA 0.858 57.174 56.287 0.049 0.000 0.767 183 K CB -1.189 31.348 32.500 0.062 0.000 1.241 183 K HN 0.363 nan 8.250 nan 0.000 0.486 184 Q N 0.518 120.322 119.800 0.006 0.000 2.292 184 Q HA 0.530 4.874 4.340 0.005 0.000 0.270 184 Q C -1.396 174.576 176.000 -0.047 0.000 1.024 184 Q CA -0.905 54.890 55.803 -0.014 0.000 0.768 184 Q CB 1.966 30.695 28.738 -0.015 0.000 1.250 184 Q HN 0.170 nan 8.270 nan 0.000 0.447 185 L N 2.209 123.375 121.223 -0.095 0.000 2.356 185 L HA 0.583 4.926 4.340 0.005 0.000 0.277 185 L C -1.603 175.186 176.870 -0.135 0.000 0.996 185 L CA -0.596 54.137 54.840 -0.178 0.000 0.822 185 L CB 1.791 43.582 42.059 -0.447 0.000 1.256 185 L HN 0.829 nan 8.230 nan 0.000 0.413 186 C N 3.627 122.897 119.300 -0.050 0.000 2.281 186 C HA 0.711 5.175 4.460 0.005 0.000 0.323 186 C C 0.162 175.161 174.990 0.017 0.000 1.270 186 C CA -0.426 58.599 59.018 0.012 0.000 1.559 186 C CB 0.239 28.102 27.740 0.205 0.000 2.239 186 C HN 0.878 nan 8.230 nan 0.000 0.488 187 S N 4.628 120.341 115.700 0.020 0.000 2.438 187 S HA 0.616 5.089 4.470 0.005 0.000 0.293 187 S C -0.479 174.247 174.600 0.209 0.000 1.141 187 S CA -0.382 57.928 58.200 0.184 0.000 1.080 187 S CB 0.569 63.962 63.200 0.321 0.000 0.978 187 S HN 0.712 nan 8.310 nan 0.000 0.479 188 V N 6.119 126.120 119.914 0.146 0.000 2.394 188 V HA 0.510 4.634 4.120 0.005 0.000 0.282 188 V C -0.142 175.976 176.094 0.039 0.000 1.031 188 V CA -0.468 61.870 62.300 0.062 0.000 0.881 188 V CB 1.239 33.052 31.823 -0.017 0.000 0.982 188 V HN 1.026 nan 8.190 nan 0.000 0.451 189 D N 3.898 124.359 120.400 0.102 0.000 3.009 189 D HA 0.537 5.180 4.640 0.005 0.000 0.318 189 D C -0.567 175.899 176.300 0.276 0.000 1.273 189 D CA -0.871 53.249 54.000 0.200 0.000 1.001 189 D CB 1.386 42.294 40.800 0.181 0.000 1.411 189 D HN 0.223 nan 8.370 nan 0.000 0.577 190 K N -1.092 119.505 120.400 0.328 0.000 3.365 190 K HA 0.621 4.944 4.320 0.005 0.000 0.187 190 K C 0.277 176.969 176.600 0.153 0.000 1.062 190 K CA 0.163 56.568 56.287 0.196 0.000 0.882 190 K CB 0.264 32.866 32.500 0.169 0.000 0.750 190 K HN 0.486 nan 8.250 nan 0.000 0.479 191 A N 0.815 123.804 122.820 0.282 0.000 2.131 191 A HA -0.184 4.139 4.320 0.005 0.000 0.220 191 A C 1.407 179.060 177.584 0.116 0.000 1.158 191 A CA 1.807 53.973 52.037 0.216 0.000 0.665 191 A CB -0.588 18.560 19.000 0.246 0.000 0.795 191 A HN 0.672 nan 8.150 nan 0.000 0.460 192 N N -0.937 117.752 118.700 -0.017 0.000 2.336 192 N HA 0.050 4.794 4.740 0.005 0.000 0.189 192 N C 0.716 176.172 175.510 -0.089 0.000 1.113 192 N CA 1.302 54.296 53.050 -0.093 0.000 0.858 192 N CB 0.227 38.566 38.487 -0.246 0.000 0.970 192 N HN 0.263 nan 8.380 nan 0.000 0.471 193 V N -0.863 119.013 119.914 -0.063 0.000 3.165 193 V HA 0.267 4.391 4.120 0.005 0.000 0.231 193 V C -0.375 175.727 176.094 0.013 0.000 1.365 193 V CA -0.040 62.240 62.300 -0.033 0.000 1.286 193 V CB 0.437 32.229 31.823 -0.051 0.000 1.081 193 V HN 0.018 nan 8.190 nan 0.000 0.477 194 L N 1.310 122.560 121.223 0.044 0.000 2.276 194 L HA 0.479 4.822 4.340 0.005 0.000 0.286 194 L C 1.102 178.020 176.870 0.079 0.000 1.024 194 L CA 0.005 54.885 54.840 0.066 0.000 0.826 194 L CB 0.888 43.003 42.059 0.094 0.000 1.211 194 L HN 0.153 nan 8.230 nan 0.000 0.422 195 E N 0.801 121.041 120.200 0.066 0.000 2.118 195 E HA -0.167 4.186 4.350 0.005 0.000 0.195 195 E C 1.566 178.228 176.600 0.104 0.000 0.992 195 E CA 1.757 58.202 56.400 0.075 0.000 0.804 195 E CB 0.011 29.745 29.700 0.057 0.000 0.741 195 E HN 0.705 nan 8.360 nan 0.000 0.458 196 T N -0.078 114.540 114.554 0.107 0.000 2.720 196 T HA -0.200 4.154 4.350 0.005 0.000 0.268 196 T C 2.070 176.906 174.700 0.225 0.000 1.037 196 T CA 1.894 64.088 62.100 0.157 0.000 1.144 196 T CB -0.644 68.299 68.868 0.124 0.000 0.864 196 T HN 0.478 nan 8.240 nan 0.000 0.444 197 T N -0.074 114.588 114.554 0.180 0.000 3.118 197 T HA 0.099 4.452 4.350 0.005 0.000 0.260 197 T C 1.819 176.663 174.700 0.240 0.000 1.139 197 T CA 0.367 62.591 62.100 0.207 0.000 1.085 197 T CB -0.076 68.884 68.868 0.154 0.000 0.934 197 T HN 0.311 nan 8.240 nan 0.000 0.518 198 R N -0.315 120.294 120.500 0.182 0.000 2.100 198 R HA 0.207 4.550 4.340 0.005 0.000 0.220 198 R C 2.262 178.644 176.300 0.137 0.000 1.091 198 R CA 0.614 56.800 56.100 0.143 0.000 0.986 198 R CB -0.333 30.028 30.300 0.102 0.000 0.888 198 R HN 0.389 nan 8.270 nan 0.000 0.444 199 L N 0.678 121.992 121.223 0.152 0.000 2.056 199 L HA -0.163 4.180 4.340 0.005 0.000 0.207 199 L C 1.994 178.947 176.870 0.137 0.000 1.078 199 L CA 1.668 56.581 54.840 0.121 0.000 0.749 199 L CB -0.764 41.370 42.059 0.125 0.000 0.901 199 L HN 0.360 nan 8.230 nan 0.000 0.433 200 W N 1.195 122.503 121.300 0.012 0.000 2.317 200 W HA -0.303 4.360 4.660 0.004 0.000 0.318 200 W C 2.670 179.185 176.519 -0.006 0.000 1.227 200 W CA 2.454 59.784 57.345 -0.026 0.000 1.269 200 W CB -0.463 28.986 29.460 -0.018 0.000 1.155 200 W HN 0.311 nan 8.180 nan 0.000 0.484 201 R N 0.665 121.357 120.500 0.321 0.000 2.073 201 R HA -0.193 4.150 4.340 0.005 0.000 0.234 201 R C 2.277 178.569 176.300 -0.013 0.000 1.134 201 R CA 2.239 58.403 56.100 0.107 0.000 0.952 201 R CB -0.582 29.671 30.300 -0.078 0.000 0.850 201 R HN 0.224 nan 8.270 nan 0.000 0.433 202 E N -0.221 119.979 120.200 0.001 0.000 2.051 202 E HA -0.160 4.193 4.350 0.005 0.000 0.192 202 E C 2.037 178.627 176.600 -0.017 0.000 0.991 202 E CA 1.601 57.997 56.400 -0.007 0.000 0.799 202 E CB 0.024 29.728 29.700 0.007 0.000 0.748 202 E HN 0.197 nan 8.360 nan 0.000 0.449 203 V N 1.097 120.978 119.914 -0.055 0.000 2.358 203 V HA -0.206 3.917 4.120 0.005 0.000 0.246 203 V C 2.388 178.412 176.094 -0.118 0.000 1.047 203 V CA 1.188 63.424 62.300 -0.106 0.000 1.035 203 V CB -0.351 31.368 31.823 -0.172 0.000 0.658 203 V HN 0.114 nan 8.190 nan 0.000 0.452 204 V N 0.066 119.902 119.914 -0.129 0.000 2.343 204 V HA -0.277 3.846 4.120 0.005 0.000 0.247 204 V C 2.589 178.774 176.094 0.153 0.000 1.051 204 V CA 2.631 64.924 62.300 -0.011 0.000 1.036 204 V CB -1.006 30.819 31.823 0.003 0.000 0.654 204 V HN 0.615 nan 8.190 nan 0.000 0.451 205 T N -0.539 114.111 114.554 0.159 0.000 2.788 205 T HA -0.204 4.150 4.350 0.005 0.000 0.268 205 T C 1.778 176.514 174.700 0.059 0.000 1.044 205 T CA 1.657 63.861 62.100 0.172 0.000 1.139 205 T CB -0.181 68.776 68.868 0.149 0.000 0.867 205 T HN 0.608 nan 8.240 nan 0.000 0.454 206 E N 0.361 120.565 120.200 0.007 0.000 2.028 206 E HA -0.069 4.284 4.350 0.005 0.000 0.191 206 E C 2.330 178.885 176.600 -0.076 0.000 0.988 206 E CA 0.909 57.290 56.400 -0.032 0.000 0.799 206 E CB -0.175 29.500 29.700 -0.041 0.000 0.755 206 E HN 0.200 nan 8.360 nan 0.000 0.447 207 V N 1.394 121.236 119.914 -0.120 0.000 2.594 207 V HA -0.235 3.889 4.120 0.005 0.000 0.253 207 V C 2.207 178.075 176.094 -0.375 0.000 1.069 207 V CA 1.505 63.678 62.300 -0.211 0.000 1.082 207 V CB -0.670 30.964 31.823 -0.314 0.000 0.680 207 V HN 0.314 nan 8.190 nan 0.000 0.469 208 A N 0.355 122.937 122.820 -0.397 0.000 2.024 208 A HA -0.234 4.089 4.320 0.005 0.000 0.220 208 A C 2.332 179.757 177.584 -0.264 0.000 1.164 208 A CA 1.623 53.334 52.037 -0.544 0.000 0.643 208 A CB -0.477 18.520 19.000 -0.005 0.000 0.806 208 A HN 0.570 nan 8.150 nan 0.000 0.451 209 R N -0.338 120.069 120.500 -0.156 0.000 2.189 209 R HA -0.082 4.261 4.340 0.005 0.000 0.223 209 R C 0.673 176.891 176.300 -0.137 0.000 1.092 209 R CA 1.213 57.252 56.100 -0.102 0.000 0.989 209 R CB -0.248 30.011 30.300 -0.069 0.000 0.876 209 R HN 0.415 nan 8.270 nan 0.000 0.457 210 D N -0.718 119.568 120.400 -0.190 0.000 2.347 210 D HA -0.051 4.592 4.640 0.005 0.000 0.213 210 D C -0.268 175.675 176.300 -0.595 0.000 0.985 210 D CA 0.970 54.767 54.000 -0.339 0.000 0.879 210 D CB 0.242 40.842 40.800 -0.332 0.000 0.919 210 D HN 0.227 nan 8.370 nan 0.000 0.526 211 Y N 0.232 120.372 120.300 -0.266 0.000 2.747 211 Y HA 0.246 4.799 4.550 0.005 0.000 0.362 211 Y C -1.593 174.259 175.900 -0.079 0.000 1.026 211 Y CA -2.066 55.938 58.100 -0.160 0.000 1.135 211 Y CB 1.227 39.573 38.460 -0.191 0.000 1.175 211 Y HN -0.097 nan 8.280 nan 0.000 0.643 212 P HA -0.163 nan 4.420 nan 0.000 0.225 212 P C 0.700 178.036 177.300 0.061 0.000 1.148 212 P CA 1.497 64.613 63.100 0.026 0.000 0.779 212 P CB 0.459 32.153 31.700 -0.011 0.000 0.780 213 D N 0.256 120.708 120.400 0.087 0.000 2.289 213 D HA -0.047 4.596 4.640 0.005 0.000 0.207 213 D C 0.904 177.274 176.300 0.118 0.000 0.966 213 D CA 0.268 54.322 54.000 0.090 0.000 0.868 213 D CB -0.635 40.218 40.800 0.087 0.000 0.943 213 D HN 0.130 nan 8.370 nan 0.000 0.514 214 V N 0.285 120.308 119.914 0.182 0.000 2.427 214 V HA 0.355 4.478 4.120 0.005 0.000 0.286 214 V C -0.207 175.990 176.094 0.171 0.000 1.034 214 V CA -1.052 61.362 62.300 0.189 0.000 0.893 214 V CB 1.696 33.679 31.823 0.267 0.000 0.982 214 V HN -0.023 nan 8.190 nan 0.000 0.452 215 R N 4.973 125.530 120.500 0.096 0.000 2.267 215 R HA 0.383 4.726 4.340 0.005 0.000 0.319 215 R C -1.056 175.268 176.300 0.039 0.000 1.067 215 R CA -0.501 55.635 56.100 0.060 0.000 0.936 215 R CB 1.003 31.315 30.300 0.020 0.000 1.006 215 R HN 0.805 nan 8.270 nan 0.000 0.452 216 L N 3.822 125.075 121.223 0.049 0.000 2.295 216 L HA 0.413 4.756 4.340 0.005 0.000 0.285 216 L C -0.903 175.880 176.870 -0.146 0.000 1.035 216 L CA 0.112 54.931 54.840 -0.034 0.000 0.806 216 L CB 1.762 43.871 42.059 0.084 0.000 1.214 216 L HN 0.715 nan 8.230 nan 0.000 0.426 217 S N 2.839 118.396 115.700 -0.239 0.000 2.549 217 S HA 0.647 5.120 4.470 0.005 0.000 0.280 217 S C -0.966 173.425 174.600 -0.348 0.000 1.109 217 S CA -0.893 57.161 58.200 -0.244 0.000 0.905 217 S CB 1.315 64.447 63.200 -0.114 0.000 1.081 217 S HN 0.690 nan 8.310 nan 0.000 0.477 218 H N 1.807 120.869 119.070 -0.014 0.000 2.499 218 H HA 0.680 5.239 4.556 0.005 0.000 0.340 218 H C -0.580 174.676 175.328 -0.120 0.000 1.148 218 H CA -0.697 55.329 56.048 -0.036 0.000 1.215 218 H CB 1.754 31.493 29.762 -0.038 0.000 1.529 218 H HN 0.725 nan 8.280 nan 0.000 0.510 219 M N 1.883 121.475 119.600 -0.013 0.000 2.465 219 M HA 0.232 4.715 4.480 0.005 0.000 0.284 219 M C -1.690 174.530 176.300 -0.132 0.000 1.212 219 M CA -0.799 54.426 55.300 -0.126 0.000 0.910 219 M CB 2.109 34.721 32.600 0.019 0.000 1.725 219 M HN 0.355 nan 8.290 nan 0.000 0.477 220 Y N 1.840 122.154 120.300 0.023 0.000 2.346 220 Y HA 0.163 4.716 4.550 0.005 0.000 0.330 220 Y C 1.019 176.847 175.900 -0.119 0.000 1.178 220 Y CA -0.106 57.970 58.100 -0.041 0.000 1.331 220 Y CB 0.878 39.319 38.460 -0.033 0.000 1.253 220 Y HN 0.541 nan 8.280 nan 0.000 0.529 221 V N 2.521 122.377 119.914 -0.097 0.000 2.324 221 V HA -0.316 3.807 4.120 0.005 0.000 0.250 221 V C 1.620 177.587 176.094 -0.213 0.000 1.060 221 V CA 2.768 64.859 62.300 -0.349 0.000 1.042 221 V CB -0.346 30.866 31.823 -1.019 0.000 0.650 221 V HN 1.001 nan 8.190 nan 0.000 0.450 222 D N -0.708 119.613 120.400 -0.132 0.000 2.117 222 D HA -0.249 4.395 4.640 0.005 0.000 0.198 222 D C 2.031 178.322 176.300 -0.016 0.000 0.982 222 D CA 1.957 55.913 54.000 -0.074 0.000 0.828 222 D CB -1.221 39.548 40.800 -0.052 0.000 0.967 222 D HN 0.659 nan 8.370 nan 0.000 0.464 223 N N 0.668 119.390 118.700 0.036 0.000 2.223 223 N HA -0.135 4.608 4.740 0.005 0.000 0.185 223 N C 1.861 177.408 175.510 0.062 0.000 1.016 223 N CA 1.129 54.214 53.050 0.059 0.000 0.863 223 N CB -0.034 38.507 38.487 0.090 0.000 0.983 223 N HN 0.212 nan 8.380 nan 0.000 0.429 224 A N 0.982 123.826 122.820 0.039 0.000 1.933 224 A HA 0.012 4.335 4.320 0.005 0.000 0.218 224 A C 2.324 179.907 177.584 -0.002 0.000 1.175 224 A CA 1.550 53.614 52.037 0.045 0.000 0.628 224 A CB -0.804 18.160 19.000 -0.059 0.000 0.814 224 A HN 0.459 nan 8.150 nan 0.000 0.444 225 A N -0.661 122.136 122.820 -0.037 0.000 2.019 225 A HA -0.089 4.234 4.320 0.005 0.000 0.219 225 A C 2.206 179.794 177.584 0.006 0.000 1.164 225 A CA 1.754 53.770 52.037 -0.035 0.000 0.644 225 A CB -0.486 18.485 19.000 -0.048 0.000 0.805 225 A HN 0.569 nan 8.150 nan 0.000 0.449 226 M N -1.518 118.099 119.600 0.029 0.000 2.216 226 M HA -0.085 4.398 4.480 0.005 0.000 0.264 226 M C 2.236 178.584 176.300 0.079 0.000 1.080 226 M CA 0.860 56.186 55.300 0.043 0.000 1.153 226 M CB -0.400 32.223 32.600 0.039 0.000 1.356 226 M HN 0.264 nan 8.290 nan 0.000 0.432 227 Q N 0.849 120.727 119.800 0.130 0.000 2.181 227 Q HA -0.080 4.264 4.340 0.005 0.000 0.205 227 Q C 2.086 178.290 176.000 0.340 0.000 0.980 227 Q CA 1.358 57.288 55.803 0.212 0.000 0.862 227 Q CB -0.648 28.266 28.738 0.293 0.000 0.905 227 Q HN 0.573 nan 8.270 nan 0.000 0.429 228 L N 0.314 121.704 121.223 0.278 0.000 2.046 228 L HA -0.174 4.170 4.340 0.005 0.000 0.208 228 L C 2.334 179.287 176.870 0.137 0.000 1.077 228 L CA 1.222 56.178 54.840 0.193 0.000 0.747 228 L CB -0.453 41.592 42.059 -0.025 0.000 0.896 228 L HN 0.272 nan 8.230 nan 0.000 0.432 229 I N -3.809 116.813 120.570 0.088 0.000 2.867 229 I HA -0.086 4.087 4.170 0.005 0.000 0.265 229 I C 2.696 178.847 176.117 0.057 0.000 1.162 229 I CA 0.626 61.963 61.300 0.060 0.000 1.471 229 I CB -0.444 37.579 38.000 0.037 0.000 1.123 229 I HN 0.099 nan 8.210 nan 0.000 0.440 230 R N 2.425 122.961 120.500 0.060 0.000 2.066 230 R HA 0.039 4.383 4.340 0.005 0.000 0.232 230 R C 0.571 176.890 176.300 0.031 0.000 1.131 230 R CA 1.576 57.700 56.100 0.039 0.000 0.955 230 R CB 0.054 30.374 30.300 0.034 0.000 0.851 230 R HN 0.504 nan 8.270 nan 0.000 0.432 231 A N 0.410 123.256 122.820 0.043 0.000 3.307 231 A HA 0.292 4.616 4.320 0.005 0.000 0.289 231 A C -2.165 175.442 177.584 0.039 0.000 1.138 231 A CA -1.024 51.020 52.037 0.012 0.000 0.860 231 A CB 1.195 20.171 19.000 -0.041 0.000 1.318 231 A HN 0.164 nan 8.150 nan 0.000 0.551 232 P HA -0.185 nan 4.420 nan 0.000 0.219 232 P C 1.318 178.712 177.300 0.156 0.000 1.146 232 P CA 1.734 64.956 63.100 0.204 0.000 0.808 232 P CB 0.212 31.993 31.700 0.134 0.000 0.779 233 A N 0.577 123.426 122.820 0.048 0.000 2.209 233 A HA -0.146 4.177 4.320 0.005 0.000 0.212 233 A C 2.255 179.809 177.584 -0.050 0.000 1.158 233 A CA 0.848 52.892 52.037 0.013 0.000 0.742 233 A CB -1.115 17.883 19.000 -0.003 0.000 0.790 233 A HN 0.420 nan 8.150 nan 0.000 0.472 234 Q N -1.621 118.084 119.800 -0.159 0.000 2.378 234 Q HA 0.081 4.424 4.340 0.005 0.000 0.205 234 Q C -0.466 175.294 176.000 -0.399 0.000 0.954 234 Q CA 0.255 55.859 55.803 -0.332 0.000 0.901 234 Q CB -0.231 28.194 28.738 -0.522 0.000 0.981 234 Q HN 0.475 nan 8.270 nan 0.000 0.483 235 F N 1.226 121.163 119.950 -0.022 0.000 2.404 235 F HA 0.266 4.797 4.527 0.006 0.000 0.339 235 F C 0.679 176.463 175.800 -0.027 0.000 1.105 235 F CA -0.976 57.007 58.000 -0.028 0.000 1.087 235 F CB 1.504 40.489 39.000 -0.025 0.000 1.143 235 F HN -0.037 nan 8.300 nan 0.000 0.491 236 D N 1.013 121.512 120.400 0.166 0.000 3.013 236 D HA 0.160 4.803 4.640 0.005 0.000 0.256 236 D C -0.695 175.645 176.300 0.067 0.000 1.573 236 D CA 0.679 54.726 54.000 0.078 0.000 1.197 236 D CB 0.329 41.149 40.800 0.033 0.000 1.041 236 D HN 0.105 nan 8.370 nan 0.000 0.304 237 V N 2.236 122.171 119.914 0.035 0.000 2.417 237 V HA 0.410 4.533 4.120 0.005 0.000 0.291 237 V C -0.254 175.837 176.094 -0.005 0.000 1.024 237 V CA -0.727 61.568 62.300 -0.008 0.000 0.861 237 V CB 1.530 33.318 31.823 -0.059 0.000 0.985 237 V HN 0.291 nan 8.190 nan 0.000 0.436 238 L N 6.182 127.389 121.223 -0.026 0.000 2.298 238 L HA 0.626 4.969 4.340 0.005 0.000 0.284 238 L C -0.911 175.939 176.870 -0.033 0.000 1.013 238 L CA -0.664 54.149 54.840 -0.045 0.000 0.824 238 L CB 1.359 43.314 42.059 -0.173 0.000 1.221 238 L HN 0.618 nan 8.230 nan 0.000 0.418 239 L N 5.413 126.637 121.223 0.003 0.000 2.295 239 L HA 0.753 5.096 4.340 0.005 0.000 0.285 239 L C -0.331 176.655 176.870 0.194 0.000 1.035 239 L CA 0.606 55.499 54.840 0.088 0.000 0.806 239 L CB 1.778 43.871 42.059 0.057 0.000 1.214 239 L HN 0.699 nan 8.230 nan 0.000 0.426 240 T N 2.146 116.819 114.554 0.199 0.000 2.718 240 T HA 0.619 4.972 4.350 0.005 0.000 0.306 240 T C -0.163 174.416 174.700 -0.203 0.000 1.485 240 T CA -0.080 61.994 62.100 -0.043 0.000 0.997 240 T CB 0.563 69.409 68.868 -0.037 0.000 1.504 240 T HN 0.944 nan 8.240 nan 0.000 0.497 241 G N 1.145 109.570 108.800 -0.625 0.000 2.611 241 G HA2 0.225 4.188 3.960 0.005 0.000 0.273 241 G HA3 0.225 4.188 3.960 0.005 0.000 0.273 241 G C 0.977 175.784 174.900 -0.155 0.000 1.305 241 G CA -0.111 44.746 45.100 -0.405 0.000 1.010 241 G HN 0.685 nan 8.290 nan 0.000 0.509 242 N N -0.854 117.777 118.700 -0.115 0.000 2.025 242 N HA -0.143 4.600 4.740 0.005 0.000 0.194 242 N C 2.274 177.544 175.510 -0.400 0.000 1.044 242 N CA 1.728 54.573 53.050 -0.341 0.000 0.851 242 N CB -0.319 37.862 38.487 -0.511 0.000 1.036 242 N HN 0.428 nan 8.380 nan 0.000 0.422 243 M N -0.088 119.354 119.600 -0.262 0.000 2.067 243 M HA -0.060 4.424 4.480 0.005 0.000 0.260 243 M C 1.639 178.004 176.300 0.109 0.000 1.069 243 M CA 1.402 56.713 55.300 0.018 0.000 1.117 243 M CB -0.578 32.021 32.600 -0.000 0.000 1.334 243 M HN 0.030 nan 8.290 nan 0.000 0.407 244 F N 0.096 120.001 119.950 -0.074 0.000 2.134 244 F HA 0.052 4.583 4.527 0.006 0.000 0.299 244 F C 2.547 178.290 175.800 -0.095 0.000 1.097 244 F CA 1.131 59.076 58.000 -0.091 0.000 1.264 244 F CB -2.029 36.882 39.000 -0.148 0.000 1.001 244 F HN 0.304 nan 8.300 nan 0.000 0.479 245 G N -0.558 108.286 108.800 0.074 0.000 2.442 245 G HA2 -0.330 3.633 3.960 0.005 0.000 0.219 245 G HA3 -0.330 3.633 3.960 0.005 0.000 0.219 245 G C 1.366 176.267 174.900 0.001 0.000 1.141 245 G CA 1.214 46.317 45.100 0.004 0.000 0.763 245 G HN 0.372 nan 8.290 nan 0.000 0.554 246 D N 0.487 120.893 120.400 0.009 0.000 2.104 246 D HA -0.109 4.534 4.640 0.005 0.000 0.194 246 D C 2.485 178.815 176.300 0.049 0.000 0.994 246 D CA 1.051 55.075 54.000 0.041 0.000 0.830 246 D CB -0.186 40.686 40.800 0.119 0.000 0.959 246 D HN 0.401 nan 8.370 nan 0.000 0.452 247 I N -0.102 120.507 120.570 0.066 0.000 2.193 247 I HA -0.176 3.997 4.170 0.005 0.000 0.240 247 I C 2.426 178.544 176.117 0.002 0.000 1.084 247 I CA 0.595 61.920 61.300 0.041 0.000 1.365 247 I CB -0.317 37.714 38.000 0.053 0.000 1.064 247 I HN 0.086 nan 8.210 nan 0.000 0.410 248 L N 0.041 121.255 121.223 -0.016 0.000 2.083 248 L HA -0.196 4.148 4.340 0.005 0.000 0.209 248 L C 2.767 179.598 176.870 -0.065 0.000 1.083 248 L CA 1.360 56.162 54.840 -0.065 0.000 0.752 248 L CB -0.615 41.381 42.059 -0.104 0.000 0.899 248 L HN 0.278 nan 8.230 nan 0.000 0.433 249 S N -0.267 115.408 115.700 -0.042 0.000 2.383 249 S HA -0.205 4.269 4.470 0.005 0.000 0.227 249 S C 1.594 176.184 174.600 -0.017 0.000 1.026 249 S CA 1.580 59.759 58.200 -0.035 0.000 0.981 249 S CB -0.147 63.039 63.200 -0.023 0.000 0.818 249 S HN 0.372 nan 8.310 nan 0.000 0.472 250 D N 0.868 121.265 120.400 -0.006 0.000 2.178 250 D HA -0.042 4.602 4.640 0.005 0.000 0.202 250 D C 1.985 178.285 176.300 0.001 0.000 0.974 250 D CA 0.943 54.946 54.000 0.006 0.000 0.841 250 D CB -0.241 40.569 40.800 0.016 0.000 0.953 250 D HN 0.636 nan 8.370 nan 0.000 0.478 251 E N -0.099 120.093 120.200 -0.013 0.000 2.072 251 E HA -0.118 4.235 4.350 0.005 0.000 0.191 251 E C 1.890 178.480 176.600 -0.017 0.000 0.985 251 E CA 0.868 57.258 56.400 -0.016 0.000 0.801 251 E CB 0.022 29.703 29.700 -0.032 0.000 0.750 251 E HN 0.187 nan 8.360 nan 0.000 0.452 252 A N 0.340 123.139 122.820 -0.034 0.000 1.969 252 A HA -0.101 4.222 4.320 0.005 0.000 0.218 252 A C 2.303 179.889 177.584 0.003 0.000 1.169 252 A CA 1.484 53.503 52.037 -0.030 0.000 0.635 252 A CB -0.317 18.646 19.000 -0.061 0.000 0.810 252 A HN 0.234 nan 8.150 nan 0.000 0.445 253 S N -0.697 115.009 115.700 0.009 0.000 2.383 253 S HA -0.150 4.323 4.470 0.005 0.000 0.227 253 S C 2.128 176.749 174.600 0.035 0.000 1.026 253 S CA 1.499 59.717 58.200 0.029 0.000 0.981 253 S CB -0.225 62.994 63.200 0.031 0.000 0.818 253 S HN 0.657 nan 8.310 nan 0.000 0.472 254 Q N 1.702 121.517 119.800 0.026 0.000 2.119 254 Q HA -0.065 4.278 4.340 0.005 0.000 0.201 254 Q C 1.912 177.930 176.000 0.030 0.000 0.972 254 Q CA 1.262 57.082 55.803 0.027 0.000 0.847 254 Q CB -0.609 28.142 28.738 0.021 0.000 0.903 254 Q HN 0.600 nan 8.270 nan 0.000 0.433 255 L N -1.015 120.225 121.223 0.028 0.000 2.362 255 L HA 0.089 4.433 4.340 0.005 0.000 0.219 255 L C 1.913 178.808 176.870 0.041 0.000 1.134 255 L CA 1.812 56.672 54.840 0.032 0.000 0.807 255 L CB -1.785 40.293 42.059 0.031 0.000 0.927 255 L HN 0.196 nan 8.230 nan 0.000 0.447 256 T N -3.890 110.693 114.554 0.048 0.000 2.985 256 T HA 0.373 4.727 4.350 0.005 0.000 0.266 256 T C 1.734 176.473 174.700 0.065 0.000 1.076 256 T CA 0.913 63.052 62.100 0.066 0.000 1.135 256 T CB -0.212 68.707 68.868 0.085 0.000 0.890 256 T HN 0.704 nan 8.240 nan 0.000 0.480 257 G N 0.770 109.601 108.800 0.051 0.000 2.490 257 G HA2 -0.222 3.741 3.960 0.005 0.000 0.214 257 G HA3 -0.222 3.741 3.960 0.005 0.000 0.214 257 G C 0.434 175.357 174.900 0.039 0.000 1.151 257 G CA 0.034 45.159 45.100 0.042 0.000 0.684 257 G HN 0.768 nan 8.290 nan 0.000 0.518 258 S N 0.900 116.628 115.700 0.046 0.000 2.474 258 S HA 0.549 5.022 4.470 0.005 0.000 0.320 258 S C 1.115 175.744 174.600 0.048 0.000 1.067 258 S CA -0.033 58.186 58.200 0.032 0.000 1.127 258 S CB 1.414 64.618 63.200 0.007 0.000 0.971 258 S HN 0.544 nan 8.310 nan 0.000 0.472 259 I N 2.970 123.572 120.570 0.053 0.000 2.454 259 I HA -0.090 4.083 4.170 0.005 0.000 0.254 259 I C 1.953 178.145 176.117 0.126 0.000 1.156 259 I CA 1.017 62.368 61.300 0.085 0.000 1.433 259 I CB -0.130 37.923 38.000 0.088 0.000 1.082 259 I HN 0.757 nan 8.210 nan 0.000 0.432 260 G N 0.429 109.274 108.800 0.075 0.000 2.776 260 G HA2 -0.101 3.863 3.960 0.005 0.000 0.209 260 G HA3 -0.101 3.863 3.960 0.005 0.000 0.209 260 G C 1.227 176.169 174.900 0.071 0.000 1.145 260 G CA 0.077 45.224 45.100 0.078 0.000 0.791 260 G HN 0.285 nan 8.290 nan 0.000 0.530 261 M N -0.084 119.542 119.600 0.044 0.000 2.337 261 M HA 0.372 4.856 4.480 0.005 0.000 0.256 261 M C 0.321 176.681 176.300 0.101 0.000 1.075 261 M CA 0.070 55.367 55.300 -0.004 0.000 1.024 261 M CB 0.138 32.670 32.600 -0.113 0.000 1.429 261 M HN -0.012 nan 8.290 nan 0.000 0.497 262 L N 3.772 125.065 121.223 0.116 0.000 2.260 262 L HA 0.318 4.661 4.340 0.005 0.000 0.289 262 L C -2.040 174.879 176.870 0.082 0.000 1.057 262 L CA -1.432 53.475 54.840 0.112 0.000 0.811 262 L CB 0.545 42.658 42.059 0.090 0.000 1.184 262 L HN -0.087 nan 8.230 nan 0.000 0.429 263 P HA 0.397 nan 4.420 nan 0.000 0.283 263 P C -1.137 176.207 177.300 0.072 0.000 1.278 263 P CA -0.543 62.610 63.100 0.088 0.000 0.834 263 P CB 2.087 33.860 31.700 0.122 0.000 1.150 264 S N -1.232 114.517 115.700 0.081 0.000 2.550 264 S HA 0.792 5.266 4.470 0.005 0.000 0.270 264 S C -1.622 173.009 174.600 0.052 0.000 1.145 264 S CA -0.836 57.390 58.200 0.043 0.000 0.852 264 S CB 1.245 64.441 63.200 -0.007 0.000 1.119 264 S HN 0.666 nan 8.310 nan 0.000 0.465 265 A N 1.308 124.096 122.820 -0.053 0.000 2.381 265 A HA 0.799 5.123 4.320 0.005 0.000 0.299 265 A C -0.580 176.817 177.584 -0.311 0.000 1.049 265 A CA -0.697 51.189 52.037 -0.252 0.000 0.715 265 A CB 1.707 20.638 19.000 -0.114 0.000 1.222 265 A HN 0.892 nan 8.150 nan 0.000 0.428 266 S N 2.469 117.922 115.700 -0.411 0.000 2.532 266 S HA 0.536 5.009 4.470 0.005 0.000 0.318 266 S C -0.377 174.010 174.600 -0.356 0.000 1.083 266 S CA -0.327 57.691 58.200 -0.303 0.000 1.131 266 S CB 0.053 63.123 63.200 -0.218 0.000 0.973 266 S HN 0.563 nan 8.310 nan 0.000 0.468 267 L N 2.655 123.664 121.223 -0.358 0.000 2.322 267 L HA 0.858 5.201 4.340 0.005 0.000 0.279 267 L C 0.813 177.409 176.870 -0.457 0.000 1.036 267 L CA -0.557 54.068 54.840 -0.358 0.000 0.807 267 L CB 1.458 43.317 42.059 -0.334 0.000 1.226 267 L HN 0.699 nan 8.230 nan 0.000 0.433 268 G N 0.514 109.130 108.800 -0.307 0.000 3.022 268 G HA2 0.394 4.357 3.960 0.005 0.000 0.284 268 G HA3 0.394 4.357 3.960 0.005 0.000 0.284 268 G C -1.182 173.676 174.900 -0.070 0.000 1.375 268 G CA -0.453 44.505 45.100 -0.238 0.000 0.902 268 G HN 0.382 nan 8.290 nan 0.000 0.538 269 E N 0.599 120.838 120.200 0.066 0.000 2.104 269 E HA 0.367 4.720 4.350 0.005 0.000 0.278 269 E C 1.126 177.751 176.600 0.041 0.000 1.127 269 E CA 0.887 57.332 56.400 0.075 0.000 0.897 269 E CB 0.562 30.327 29.700 0.108 0.000 1.043 269 E HN 1.259 nan 8.360 nan 0.000 0.410 270 G N 4.104 112.924 108.800 0.033 0.000 2.184 270 G HA2 -0.342 3.622 3.960 0.005 0.000 0.264 270 G HA3 -0.342 3.622 3.960 0.005 0.000 0.264 270 G C 0.449 175.368 174.900 0.032 0.000 0.975 270 G CA 0.524 45.644 45.100 0.034 0.000 0.642 270 G HN 0.455 nan 8.290 nan 0.000 0.536 271 R N -0.453 120.056 120.500 0.015 0.000 2.837 271 R HA 0.851 5.194 4.340 0.005 0.000 0.271 271 R C -0.404 175.880 176.300 -0.026 0.000 0.993 271 R CA -0.097 56.009 56.100 0.009 0.000 0.931 271 R CB 2.193 32.493 30.300 -0.001 0.000 1.206 271 R HN 1.054 nan 8.270 nan 0.000 0.474 272 A N 1.692 124.498 122.820 -0.022 0.000 2.582 272 A HA 0.546 4.869 4.320 0.005 0.000 0.297 272 A C -1.640 175.846 177.584 -0.163 0.000 1.059 272 A CA -0.619 51.334 52.037 -0.139 0.000 0.705 272 A CB 1.757 20.726 19.000 -0.051 0.000 1.279 272 A HN 0.689 nan 8.150 nan 0.000 0.404 273 M N 1.816 121.186 119.600 -0.383 0.000 2.395 273 M HA 0.788 5.272 4.480 0.005 0.000 0.307 273 M C -2.190 173.802 176.300 -0.514 0.000 1.091 273 M CA -0.463 54.692 55.300 -0.241 0.000 0.919 273 M CB 1.619 34.153 32.600 -0.111 0.000 1.662 273 M HN 0.680 nan 8.290 nan 0.000 0.440 274 Y N 2.375 122.691 120.300 0.027 0.000 2.350 274 Y HA 0.561 5.114 4.550 0.005 0.000 0.338 274 Y C -0.595 175.315 175.900 0.016 0.000 0.961 274 Y CA -0.632 57.481 58.100 0.021 0.000 1.100 274 Y CB 1.510 39.991 38.460 0.035 0.000 1.179 274 Y HN 0.638 nan 8.280 nan 0.000 0.454 275 E N 3.882 124.139 120.200 0.095 0.000 2.390 275 E HA 0.606 4.959 4.350 0.005 0.000 0.277 275 E C -3.327 173.261 176.600 -0.019 0.000 0.939 275 E CA -2.535 53.885 56.400 0.032 0.000 0.769 275 E CB 3.223 32.917 29.700 -0.010 0.000 1.251 275 E HN 0.159 nan 8.360 nan 0.000 0.450 276 P HA 0.195 nan 4.420 nan 0.000 0.279 276 P C 0.425 177.561 177.300 -0.273 0.000 1.282 276 P CA -0.486 62.480 63.100 -0.223 0.000 0.788 276 P CB 0.847 32.271 31.700 -0.460 0.000 1.139 277 I N -2.976 117.435 120.570 -0.264 0.000 3.491 277 I HA 0.311 4.484 4.170 0.005 0.000 0.332 277 I C 0.555 176.628 176.117 -0.074 0.000 1.565 277 I CA -0.430 60.786 61.300 -0.139 0.000 1.050 277 I CB -0.527 37.447 38.000 -0.043 0.000 1.348 277 I HN 0.219 nan 8.210 nan 0.000 0.506 278 H N -0.152 118.936 119.070 0.030 0.000 2.622 278 H HA 0.661 5.220 4.556 0.006 0.000 0.269 278 H C 0.894 176.238 175.328 0.026 0.000 0.977 278 H CA -0.125 55.938 56.048 0.026 0.000 1.179 278 H CB -0.168 29.607 29.762 0.022 0.000 1.458 278 H HN 0.462 nan 8.280 nan 0.000 0.531 279 G N 0.332 109.248 108.800 0.193 0.000 2.757 279 G HA2 -0.260 3.703 3.960 0.005 0.000 0.638 279 G HA3 -0.260 3.703 3.960 0.005 0.000 0.638 279 G C 0.889 175.938 174.900 0.248 0.000 1.344 279 G CA 0.107 45.308 45.100 0.169 0.000 0.855 279 G HN 0.872 nan 8.290 nan 0.000 0.537 280 S N -0.239 115.551 115.700 0.151 0.000 2.603 280 S HA 0.456 4.930 4.470 0.005 0.000 0.220 280 S C 1.789 176.452 174.600 0.104 0.000 0.967 280 S CA 1.404 59.686 58.200 0.137 0.000 0.920 280 S CB -0.146 63.127 63.200 0.122 0.000 0.773 280 S HN 2.633 nan 8.310 nan 0.000 0.529 281 A N 2.302 125.172 122.820 0.083 0.000 2.151 281 A HA -0.112 4.211 4.320 0.005 0.000 0.271 281 A C -0.749 176.860 177.584 0.040 0.000 1.348 281 A CA 0.632 52.692 52.037 0.039 0.000 0.763 281 A CB -1.805 17.188 19.000 -0.012 0.000 1.117 281 A HN 0.516 nan 8.150 nan 0.000 0.342 282 P HA -0.231 nan 4.420 nan 0.000 0.216 282 P C 1.323 178.639 177.300 0.027 0.000 1.150 282 P CA 1.526 64.659 63.100 0.054 0.000 0.843 282 P CB -0.043 31.691 31.700 0.057 0.000 0.787 283 D N 0.254 120.664 120.400 0.016 0.000 2.144 283 D HA -0.161 4.482 4.640 0.005 0.000 0.199 283 D C 1.640 177.941 176.300 0.002 0.000 0.984 283 D CA 1.272 55.275 54.000 0.005 0.000 0.834 283 D CB -0.688 40.114 40.800 0.002 0.000 0.955 283 D HN 0.330 nan 8.370 nan 0.000 0.465 284 I N -2.679 117.892 120.570 0.001 0.000 3.976 284 I HA 0.427 4.600 4.170 0.005 0.000 0.337 284 I C 0.682 176.800 176.117 0.002 0.000 1.359 284 I CA -0.746 60.551 61.300 -0.005 0.000 1.098 284 I CB 0.229 38.219 38.000 -0.017 0.000 1.027 284 I HN -0.179 nan 8.210 nan 0.000 0.394 285 A N 1.907 124.735 122.820 0.014 0.000 2.548 285 A HA 0.400 4.724 4.320 0.005 0.000 0.247 285 A C 1.526 179.124 177.584 0.022 0.000 1.067 285 A CA 0.784 52.837 52.037 0.027 0.000 0.757 285 A CB -0.764 18.265 19.000 0.048 0.000 0.996 285 A HN 1.212 nan 8.150 nan 0.000 0.504 286 G N 1.819 110.632 108.800 0.022 0.000 2.147 286 G HA2 -0.269 3.694 3.960 0.005 0.000 0.244 286 G HA3 -0.269 3.694 3.960 0.005 0.000 0.244 286 G C 0.407 175.313 174.900 0.010 0.000 1.005 286 G CA 0.758 45.870 45.100 0.019 0.000 0.713 286 G HN 0.870 nan 8.290 nan 0.000 0.515 287 Q N -0.798 119.005 119.800 0.004 0.000 2.247 287 Q HA 0.315 4.658 4.340 0.005 0.000 0.211 287 Q C 0.913 176.911 176.000 -0.003 0.000 0.861 287 Q CA 0.269 56.072 55.803 -0.000 0.000 0.949 287 Q CB 0.573 29.309 28.738 -0.003 0.000 1.115 287 Q HN 0.498 nan 8.270 nan 0.000 0.507 288 D N 0.304 120.702 120.400 -0.003 0.000 2.870 288 D HA -0.200 4.443 4.640 0.005 0.000 0.228 288 D C 0.457 176.750 176.300 -0.012 0.000 1.147 288 D CA 1.103 55.100 54.000 -0.005 0.000 0.757 288 D CB -0.305 40.493 40.800 -0.003 0.000 1.091 288 D HN 0.224 nan 8.370 nan 0.000 0.429 289 K N -0.559 119.831 120.400 -0.017 0.000 2.313 289 K HA 0.367 4.690 4.320 0.005 0.000 0.197 289 K C 1.021 177.597 176.600 -0.040 0.000 1.061 289 K CA 0.409 56.681 56.287 -0.025 0.000 0.980 289 K CB 0.447 32.932 32.500 -0.024 0.000 0.888 289 K HN 0.241 nan 8.250 nan 0.000 0.502 290 A N 2.694 125.485 122.820 -0.048 0.000 2.565 290 A HA -0.066 4.257 4.320 0.005 0.000 0.237 290 A C 0.065 177.602 177.584 -0.078 0.000 1.053 290 A CA -0.012 51.975 52.037 -0.083 0.000 0.755 290 A CB -0.119 18.831 19.000 -0.082 0.000 0.980 290 A HN 0.231 nan 8.150 nan 0.000 0.506 291 N N 2.968 121.601 118.700 -0.112 0.000 2.420 291 N HA 0.182 4.926 4.740 0.005 0.000 0.262 291 N C -1.669 173.818 175.510 -0.038 0.000 1.144 291 N CA -1.909 51.095 53.050 -0.077 0.000 0.952 291 N CB 1.044 39.480 38.487 -0.086 0.000 1.081 291 N HN 0.372 nan 8.380 nan 0.000 0.480 292 P HA 0.062 nan 4.420 nan 0.000 0.261 292 P C 1.276 178.603 177.300 0.045 0.000 1.268 292 P CA 0.197 63.319 63.100 0.036 0.000 0.833 292 P CB 0.497 32.210 31.700 0.022 0.000 1.231 293 L N -0.168 121.064 121.223 0.016 0.000 2.131 293 L HA -0.130 4.213 4.340 0.005 0.000 0.210 293 L C 2.663 179.557 176.870 0.041 0.000 1.092 293 L CA 1.591 56.432 54.840 0.002 0.000 0.759 293 L CB -1.071 40.943 42.059 -0.074 0.000 0.903 293 L HN -0.018 nan 8.230 nan 0.000 0.435 294 A N -0.210 122.662 122.820 0.086 0.000 1.898 294 A HA -0.168 4.155 4.320 0.005 0.000 0.216 294 A C 2.363 180.002 177.584 0.092 0.000 1.181 294 A CA 2.196 54.298 52.037 0.108 0.000 0.620 294 A CB -0.787 18.315 19.000 0.170 0.000 0.819 294 A HN 0.393 nan 8.150 nan 0.000 0.442 295 T N 0.209 114.825 114.554 0.102 0.000 2.857 295 T HA -0.023 4.330 4.350 0.005 0.000 0.266 295 T C 1.799 176.538 174.700 0.066 0.000 1.048 295 T CA 1.317 63.466 62.100 0.082 0.000 1.139 295 T CB -0.359 68.565 68.868 0.093 0.000 0.874 295 T HN 0.402 nan 8.240 nan 0.000 0.455 296 I N 0.808 121.413 120.570 0.058 0.000 2.226 296 I HA -0.118 4.055 4.170 0.005 0.000 0.245 296 I C 2.177 178.325 176.117 0.052 0.000 1.100 296 I CA 1.272 62.598 61.300 0.044 0.000 1.374 296 I CB -0.328 37.695 38.000 0.038 0.000 1.057 296 I HN 0.187 nan 8.210 nan 0.000 0.413 297 L N -0.248 121.020 121.223 0.074 0.000 2.275 297 L HA -0.139 4.204 4.340 0.005 0.000 0.215 297 L C 2.474 179.398 176.870 0.090 0.000 1.119 297 L CA 0.750 55.647 54.840 0.095 0.000 0.790 297 L CB -0.344 41.798 42.059 0.139 0.000 0.919 297 L HN 0.173 nan 8.230 nan 0.000 0.443 298 S N -0.933 114.820 115.700 0.088 0.000 2.414 298 S HA -0.087 4.386 4.470 0.005 0.000 0.227 298 S C 1.988 176.595 174.600 0.011 0.000 1.022 298 S CA 0.622 58.895 58.200 0.122 0.000 0.958 298 S CB 0.087 63.374 63.200 0.146 0.000 0.797 298 S HN 0.150 nan 8.310 nan 0.000 0.493 299 V N 2.021 121.921 119.914 -0.024 0.000 2.427 299 V HA -0.137 3.986 4.120 0.005 0.000 0.248 299 V C 2.587 178.606 176.094 -0.125 0.000 1.051 299 V CA 1.566 63.801 62.300 -0.108 0.000 1.048 299 V CB -1.009 30.787 31.823 -0.045 0.000 0.666 299 V HN 0.524 nan 8.190 nan 0.000 0.456 300 A N -0.709 122.088 122.820 -0.038 0.000 1.933 300 A HA -0.215 4.108 4.320 0.005 0.000 0.218 300 A C 2.226 179.786 177.584 -0.040 0.000 1.175 300 A CA 1.978 54.007 52.037 -0.013 0.000 0.628 300 A CB -0.433 18.589 19.000 0.036 0.000 0.814 300 A HN 0.485 nan 8.150 nan 0.000 0.444 301 M N -1.514 118.079 119.600 -0.010 0.000 2.229 301 M HA -0.088 4.395 4.480 0.005 0.000 0.264 301 M C 2.417 178.676 176.300 -0.069 0.000 1.063 301 M CA 1.695 57.060 55.300 0.108 0.000 1.114 301 M CB -0.301 32.503 32.600 0.341 0.000 1.387 301 M HN 0.631 nan 8.290 nan 0.000 0.420 302 M N 0.517 119.740 119.600 -0.627 0.000 2.132 302 M HA -0.174 4.309 4.480 0.005 0.000 0.263 302 M C 1.885 177.998 176.300 -0.310 0.000 1.065 302 M CA 1.564 56.279 55.300 -0.976 0.000 1.122 302 M CB -0.020 31.883 32.600 -1.162 0.000 1.365 302 M HN 0.228 nan 8.290 nan 0.000 0.411 303 L N -0.311 120.792 121.223 -0.199 0.000 2.042 303 L HA -0.234 4.109 4.340 0.005 0.000 0.210 303 L C 2.744 179.574 176.870 -0.066 0.000 1.076 303 L CA 1.592 56.382 54.840 -0.084 0.000 0.749 303 L CB -0.736 41.312 42.059 -0.018 0.000 0.893 303 L HN 0.400 nan 8.230 nan 0.000 0.432 304 R N -1.030 119.399 120.500 -0.118 0.000 2.062 304 R HA -0.114 4.229 4.340 0.005 0.000 0.226 304 R C 2.307 178.456 176.300 -0.251 0.000 1.125 304 R CA 1.149 57.124 56.100 -0.208 0.000 0.966 304 R CB -0.105 29.994 30.300 -0.335 0.000 0.861 304 R HN 0.403 nan 8.270 nan 0.000 0.433 305 H N -0.917 118.195 119.070 0.070 0.000 2.525 305 H HA 0.205 4.764 4.556 0.005 0.000 0.275 305 H C 1.354 176.759 175.328 0.129 0.000 0.984 305 H CA 1.063 57.185 56.048 0.124 0.000 1.264 305 H CB 0.802 30.695 29.762 0.218 0.000 1.432 305 H HN 0.220 nan 8.280 nan 0.000 0.549 306 S N -0.425 115.385 115.700 0.183 0.000 2.931 306 S HA 0.171 4.644 4.470 0.005 0.000 0.251 306 S C 1.854 176.492 174.600 0.063 0.000 1.078 306 S CA -0.294 57.993 58.200 0.144 0.000 0.835 306 S CB 0.550 63.868 63.200 0.196 0.000 0.798 306 S HN 0.098 nan 8.310 nan 0.000 0.495 307 L N 2.208 123.441 121.223 0.018 0.000 2.591 307 L HA 0.298 4.642 4.340 0.005 0.000 0.228 307 L C 0.517 177.395 176.870 0.013 0.000 1.133 307 L CA 0.130 54.972 54.840 0.003 0.000 0.880 307 L CB -0.830 41.212 42.059 -0.028 0.000 1.033 307 L HN 0.471 nan 8.230 nan 0.000 0.450 308 N N 0.792 119.503 118.700 0.018 0.000 2.725 308 N HA -0.217 4.527 4.740 0.005 0.000 0.251 308 N C 0.186 175.720 175.510 0.039 0.000 1.031 308 N CA 0.284 53.348 53.050 0.023 0.000 0.720 308 N CB -0.160 38.345 38.487 0.029 0.000 0.930 308 N HN 0.442 nan 8.380 nan 0.000 0.543 309 A N 0.539 123.385 122.820 0.043 0.000 3.113 309 A HA 0.241 4.564 4.320 0.005 0.000 0.307 309 A C 0.927 178.574 177.584 0.105 0.000 1.025 309 A CA -0.038 52.068 52.037 0.115 0.000 1.012 309 A CB 0.569 19.646 19.000 0.129 0.000 1.085 309 A HN 0.554 nan 8.150 nan 0.000 0.519 310 E N 2.111 122.334 120.200 0.039 0.000 2.065 310 E HA -0.180 4.174 4.350 0.005 0.000 0.201 310 E C -0.568 176.027 176.600 -0.009 0.000 1.016 310 E CA 2.864 59.261 56.400 -0.005 0.000 0.818 310 E CB -0.640 29.046 29.700 -0.024 0.000 0.749 310 E HN 0.486 nan 8.360 nan 0.000 0.453 311 P HA -0.158 nan 4.420 nan 0.000 0.216 311 P C 0.889 178.052 177.300 -0.229 0.000 1.150 311 P CA 1.600 64.612 63.100 -0.147 0.000 0.837 311 P CB -0.389 31.195 31.700 -0.192 0.000 0.786 312 W N 0.236 121.521 121.300 -0.026 0.000 2.584 312 W HA 0.200 4.864 4.660 0.006 0.000 0.264 312 W C 2.701 179.200 176.519 -0.034 0.000 1.264 312 W CA 0.777 58.106 57.345 -0.028 0.000 1.306 312 W CB -0.773 28.669 29.460 -0.030 0.000 1.110 312 W HN -0.044 nan 8.180 nan 0.000 0.606 313 A N 0.048 122.939 122.820 0.119 0.000 1.898 313 A HA -0.220 4.103 4.320 0.005 0.000 0.216 313 A C 1.857 179.455 177.584 0.022 0.000 1.181 313 A CA 1.446 53.512 52.037 0.049 0.000 0.620 313 A CB -0.636 18.361 19.000 -0.006 0.000 0.819 313 A HN 0.369 nan 8.150 nan 0.000 0.442 314 Q N -0.623 119.168 119.800 -0.015 0.000 2.119 314 Q HA -0.137 4.207 4.340 0.005 0.000 0.201 314 Q C 2.302 178.279 176.000 -0.038 0.000 0.972 314 Q CA 1.394 57.175 55.803 -0.036 0.000 0.847 314 Q CB -0.170 28.527 28.738 -0.069 0.000 0.903 314 Q HN 0.608 nan 8.270 nan 0.000 0.433 315 R N -0.089 120.369 120.500 -0.069 0.000 2.096 315 R HA -0.095 4.248 4.340 0.005 0.000 0.235 315 R C 2.292 178.606 176.300 0.024 0.000 1.127 315 R CA 1.137 57.195 56.100 -0.070 0.000 0.968 315 R CB -0.229 29.956 30.300 -0.191 0.000 0.861 315 R HN 0.087 nan 8.270 nan 0.000 0.440 316 V N 1.189 121.145 119.914 0.070 0.000 2.358 316 V HA -0.211 3.913 4.120 0.005 0.000 0.246 316 V C 1.918 178.054 176.094 0.069 0.000 1.047 316 V CA 1.787 64.136 62.300 0.082 0.000 1.035 316 V CB -0.372 31.502 31.823 0.085 0.000 0.658 316 V HN 0.337 nan 8.190 nan 0.000 0.452 317 E N 0.369 120.606 120.200 0.061 0.000 2.106 317 E HA -0.155 4.198 4.350 0.005 0.000 0.192 317 E C 2.287 178.933 176.600 0.077 0.000 0.984 317 E CA 1.249 57.696 56.400 0.079 0.000 0.806 317 E CB -0.320 29.411 29.700 0.052 0.000 0.750 317 E HN 0.597 nan 8.360 nan 0.000 0.458 318 A N 1.250 124.093 122.820 0.038 0.000 1.969 318 A HA -0.015 4.308 4.320 0.005 0.000 0.218 318 A C 2.325 179.935 177.584 0.043 0.000 1.169 318 A CA 1.390 53.443 52.037 0.027 0.000 0.635 318 A CB -0.399 18.594 19.000 -0.010 0.000 0.810 318 A HN 0.278 nan 8.150 nan 0.000 0.445 319 A N -0.658 122.190 122.820 0.046 0.000 1.968 319 A HA 0.085 4.408 4.320 0.005 0.000 0.217 319 A C 2.143 179.762 177.584 0.058 0.000 1.169 319 A CA 1.525 53.590 52.037 0.047 0.000 0.638 319 A CB -0.655 18.375 19.000 0.050 0.000 0.812 319 A HN 0.325 nan 8.150 nan 0.000 0.446 320 V N -0.253 119.710 119.914 0.081 0.000 2.427 320 V HA -0.235 3.888 4.120 0.005 0.000 0.248 320 V C 2.705 178.869 176.094 0.118 0.000 1.051 320 V CA 2.265 64.616 62.300 0.085 0.000 1.048 320 V CB -0.526 31.370 31.823 0.121 0.000 0.666 320 V HN 0.697 nan 8.190 nan 0.000 0.456 321 Q N 0.080 119.983 119.800 0.173 0.000 2.046 321 Q HA -0.142 4.201 4.340 0.005 0.000 0.200 321 Q C 2.387 178.448 176.000 0.103 0.000 0.975 321 Q CA 1.579 57.496 55.803 0.191 0.000 0.836 321 Q CB -0.266 28.559 28.738 0.146 0.000 0.896 321 Q HN 0.298 nan 8.270 nan 0.000 0.428 322 R N -0.378 120.163 120.500 0.068 0.000 2.083 322 R HA -0.102 4.241 4.340 0.005 0.000 0.237 322 R C 2.226 178.547 176.300 0.035 0.000 1.137 322 R CA 1.437 57.563 56.100 0.043 0.000 0.951 322 R CB -1.054 29.265 30.300 0.031 0.000 0.851 322 R HN 0.278 nan 8.270 nan 0.000 0.434 323 V N 1.592 121.525 119.914 0.031 0.000 2.392 323 V HA -0.239 3.884 4.120 0.005 0.000 0.249 323 V C 2.479 178.578 176.094 0.009 0.000 1.059 323 V CA 1.568 63.877 62.300 0.015 0.000 1.051 323 V CB -0.419 31.407 31.823 0.005 0.000 0.658 323 V HN 0.251 nan 8.190 nan 0.000 0.455 324 L N -0.529 120.704 121.223 0.016 0.000 2.109 324 L HA -0.129 4.214 4.340 0.005 0.000 0.207 324 L C 2.335 179.222 176.870 0.028 0.000 1.086 324 L CA 1.354 56.202 54.840 0.013 0.000 0.760 324 L CB -0.705 41.371 42.059 0.028 0.000 0.910 324 L HN 0.331 nan 8.230 nan 0.000 0.437 325 D N -0.024 120.400 120.400 0.040 0.000 2.178 325 D HA -0.186 4.457 4.640 0.005 0.000 0.201 325 D C 2.132 178.444 176.300 0.021 0.000 0.980 325 D CA 1.059 55.079 54.000 0.034 0.000 0.842 325 D CB -0.089 40.731 40.800 0.035 0.000 0.948 325 D HN 0.426 nan 8.370 nan 0.000 0.472 326 Q N -0.438 119.373 119.800 0.017 0.000 2.488 326 Q HA 0.107 4.450 4.340 0.005 0.000 0.211 326 Q C 1.070 177.075 176.000 0.008 0.000 0.967 326 Q CA 0.672 56.482 55.803 0.011 0.000 0.926 326 Q CB 0.292 29.036 28.738 0.010 0.000 0.992 326 Q HN 0.310 nan 8.270 nan 0.000 0.506 327 G N 0.855 109.660 108.800 0.007 0.000 2.137 327 G HA2 -0.258 3.705 3.960 0.005 0.000 0.237 327 G HA3 -0.258 3.705 3.960 0.005 0.000 0.237 327 G C -0.169 174.729 174.900 -0.004 0.000 1.002 327 G CA -0.280 44.821 45.100 0.003 0.000 0.702 327 G HN 0.230 nan 8.290 nan 0.000 0.515 328 L N 0.698 121.917 121.223 -0.007 0.000 2.290 328 L HA 0.640 4.983 4.340 0.005 0.000 0.284 328 L C 0.555 177.411 176.870 -0.023 0.000 1.078 328 L CA -0.559 54.273 54.840 -0.012 0.000 0.815 328 L CB 0.800 42.852 42.059 -0.011 0.000 1.162 328 L HN 0.062 nan 8.230 nan 0.000 0.435 329 R N 1.586 122.072 120.500 -0.023 0.000 2.564 329 R HA 0.407 4.750 4.340 0.005 0.000 0.284 329 R C -0.490 175.792 176.300 -0.030 0.000 1.031 329 R CA -0.679 55.403 56.100 -0.031 0.000 0.904 329 R CB 2.043 32.328 30.300 -0.025 0.000 1.199 329 R HN 0.662 nan 8.270 nan 0.000 0.443 330 T N -1.447 113.083 114.554 -0.039 0.000 2.874 330 T HA 0.362 4.715 4.350 0.005 0.000 0.281 330 T C 1.617 176.296 174.700 -0.035 0.000 0.994 330 T CA -0.132 61.946 62.100 -0.036 0.000 1.015 330 T CB 1.446 70.287 68.868 -0.044 0.000 1.028 330 T HN 0.537 nan 8.240 nan 0.000 0.523 331 A N 1.780 124.581 122.820 -0.031 0.000 1.915 331 A HA -0.262 4.062 4.320 0.005 0.000 0.220 331 A C 2.116 179.683 177.584 -0.029 0.000 1.198 331 A CA 2.344 54.364 52.037 -0.027 0.000 0.647 331 A CB -1.278 17.706 19.000 -0.026 0.000 0.825 331 A HN 1.041 nan 8.150 nan 0.000 0.456 332 D N 0.603 120.980 120.400 -0.038 0.000 2.178 332 D HA -0.166 4.478 4.640 0.005 0.000 0.201 332 D C 1.490 177.772 176.300 -0.031 0.000 0.980 332 D CA 1.678 55.656 54.000 -0.037 0.000 0.842 332 D CB -0.585 40.185 40.800 -0.051 0.000 0.948 332 D HN 0.739 nan 8.370 nan 0.000 0.472 333 I N -2.822 117.725 120.570 -0.038 0.000 3.914 333 I HA 0.508 4.681 4.170 0.005 0.000 0.333 333 I C 0.447 176.548 176.117 -0.027 0.000 1.449 333 I CA -0.834 60.444 61.300 -0.036 0.000 1.135 333 I CB 0.494 38.458 38.000 -0.060 0.000 1.073 333 I HN -0.095 nan 8.210 nan 0.000 0.401 334 A N 1.787 124.594 122.820 -0.022 0.000 2.290 334 A HA 0.835 5.158 4.320 0.005 0.000 0.310 334 A C 0.446 178.024 177.584 -0.010 0.000 1.202 334 A CA -0.294 51.734 52.037 -0.016 0.000 0.837 334 A CB 0.634 19.625 19.000 -0.016 0.000 1.139 334 A HN 0.461 nan 8.150 nan 0.000 0.509 335 A N 3.598 126.414 122.820 -0.006 0.000 2.386 335 A HA 0.611 4.934 4.320 0.005 0.000 0.248 335 A C -2.426 175.157 177.584 -0.003 0.000 1.082 335 A CA -1.301 50.735 52.037 -0.002 0.000 0.789 335 A CB -0.527 18.473 19.000 0.001 0.000 1.025 335 A HN 0.606 nan 8.150 nan 0.000 0.490 336 P HA 0.270 nan 4.420 nan 0.000 0.264 336 P C 0.901 178.200 177.300 -0.002 0.000 1.193 336 P CA 1.866 64.965 63.100 -0.002 0.000 0.763 336 P CB 0.611 32.311 31.700 -0.001 0.000 0.810 337 G N 1.519 110.318 108.800 -0.002 0.000 2.143 337 G HA2 -0.206 3.757 3.960 0.005 0.000 0.249 337 G HA3 -0.206 3.757 3.960 0.005 0.000 0.249 337 G C 0.303 175.202 174.900 -0.002 0.000 0.981 337 G CA 0.051 45.150 45.100 -0.002 0.000 0.665 337 G HN 0.588 nan 8.290 nan 0.000 0.528 338 T N 1.617 116.169 114.554 -0.003 0.000 2.929 338 T HA 0.565 4.919 4.350 0.005 0.000 0.284 338 T C -2.064 172.633 174.700 -0.005 0.000 1.014 338 T CA -0.809 61.289 62.100 -0.003 0.000 1.051 338 T CB 1.779 70.645 68.868 -0.003 0.000 1.028 338 T HN 0.064 nan 8.240 nan 0.000 0.485 339 P HA 0.305 nan 4.420 nan 0.000 0.268 339 P C -1.310 175.985 177.300 -0.008 0.000 1.204 339 P CA -0.251 62.846 63.100 -0.005 0.000 0.768 339 P CB 0.453 32.150 31.700 -0.004 0.000 0.842 340 V N 4.525 124.433 119.914 -0.009 0.000 2.588 340 V HA 0.465 4.588 4.120 0.005 0.000 0.304 340 V C 0.280 176.367 176.094 -0.012 0.000 1.042 340 V CA -0.637 61.656 62.300 -0.012 0.000 0.877 340 V CB 1.596 33.411 31.823 -0.013 0.000 0.996 340 V HN 0.423 nan 8.190 nan 0.000 0.425 341 I N 1.341 121.902 120.570 -0.014 0.000 2.750 341 I HA 0.970 5.143 4.170 0.005 0.000 0.308 341 I C 0.647 176.755 176.117 -0.015 0.000 1.016 341 I CA -0.593 60.700 61.300 -0.013 0.000 1.098 341 I CB 1.956 39.949 38.000 -0.012 0.000 1.279 341 I HN 0.627 nan 8.210 nan 0.000 0.454 342 G N 1.885 110.678 108.800 -0.012 0.000 2.621 342 G HA2 0.329 4.292 3.960 0.005 0.000 0.271 342 G HA3 0.329 4.292 3.960 0.005 0.000 0.271 342 G C 0.544 175.436 174.900 -0.014 0.000 1.236 342 G CA -0.013 45.079 45.100 -0.013 0.000 0.958 342 G HN 0.782 nan 8.290 nan 0.000 0.512 343 T N -0.394 114.153 114.554 -0.013 0.000 2.674 343 T HA -0.156 4.197 4.350 0.005 0.000 0.265 343 T C 2.268 176.965 174.700 -0.005 0.000 1.039 343 T CA 1.643 63.737 62.100 -0.010 0.000 1.150 343 T CB -0.261 68.603 68.868 -0.007 0.000 0.864 343 T HN 0.532 nan 8.240 nan 0.000 0.427 344 K N 1.208 121.606 120.400 -0.003 0.000 2.032 344 K HA -0.077 4.246 4.320 0.005 0.000 0.209 344 K C 2.507 179.105 176.600 -0.002 0.000 1.048 344 K CA 1.364 57.651 56.287 -0.001 0.000 0.927 344 K CB -0.420 32.080 32.500 -0.000 0.000 0.712 344 K HN 0.276 nan 8.250 nan 0.000 0.441 345 A N 0.827 123.645 122.820 -0.003 0.000 1.902 345 A HA -0.193 4.130 4.320 0.005 0.000 0.217 345 A C 2.092 179.673 177.584 -0.004 0.000 1.181 345 A CA 1.834 53.869 52.037 -0.003 0.000 0.623 345 A CB -0.568 18.429 19.000 -0.005 0.000 0.818 345 A HN 0.504 nan 8.150 nan 0.000 0.443 346 M N 0.564 120.160 119.600 -0.007 0.000 2.213 346 M HA -0.023 4.460 4.480 0.005 0.000 0.263 346 M C 1.874 178.172 176.300 -0.004 0.000 1.062 346 M CA 1.718 57.012 55.300 -0.009 0.000 1.105 346 M CB -0.989 31.601 32.600 -0.017 0.000 1.385 346 M HN 0.291 nan 8.290 nan 0.000 0.417 347 G N -0.976 107.823 108.800 -0.001 0.000 2.408 347 G HA2 -0.022 3.941 3.960 0.005 0.000 0.217 347 G HA3 -0.022 3.941 3.960 0.005 0.000 0.217 347 G C 1.533 176.436 174.900 0.005 0.000 1.150 347 G CA 0.793 45.896 45.100 0.004 0.000 0.776 347 G HN 0.651 nan 8.290 nan 0.000 0.542 348 A N 1.130 123.952 122.820 0.003 0.000 1.930 348 A HA 0.361 4.684 4.320 0.005 0.000 0.217 348 A C 2.780 180.368 177.584 0.007 0.000 1.175 348 A CA 1.962 54.002 52.037 0.004 0.000 0.627 348 A CB -0.666 18.335 19.000 0.002 0.000 0.815 348 A HN 0.687 nan 8.150 nan 0.000 0.443 349 A N -0.373 122.450 122.820 0.005 0.000 1.902 349 A HA -0.027 4.296 4.320 0.005 0.000 0.217 349 A C 2.215 179.807 177.584 0.013 0.000 1.181 349 A CA 1.877 53.918 52.037 0.007 0.000 0.623 349 A CB -0.915 18.086 19.000 0.002 0.000 0.818 349 A HN 0.392 nan 8.150 nan 0.000 0.443 350 V N -0.376 119.546 119.914 0.014 0.000 2.307 350 V HA -0.219 3.904 4.120 0.005 0.000 0.245 350 V C 2.563 178.675 176.094 0.031 0.000 1.045 350 V CA 1.915 64.228 62.300 0.023 0.000 1.024 350 V CB -0.859 30.978 31.823 0.023 0.000 0.651 350 V HN 0.369 nan 8.190 nan 0.000 0.449 351 V N 0.887 120.816 119.914 0.025 0.000 2.332 351 V HA -0.307 3.816 4.120 0.005 0.000 0.248 351 V C 2.089 178.202 176.094 0.032 0.000 1.055 351 V CA 2.549 64.867 62.300 0.029 0.000 1.038 351 V CB -1.091 30.741 31.823 0.015 0.000 0.651 351 V HN 0.649 nan 8.190 nan 0.000 0.450 352 N N 0.611 119.325 118.700 0.023 0.000 2.142 352 N HA -0.100 4.644 4.740 0.005 0.000 0.186 352 N C 1.777 177.303 175.510 0.027 0.000 1.023 352 N CA 1.101 54.164 53.050 0.022 0.000 0.852 352 N CB -0.314 38.182 38.487 0.015 0.000 0.998 352 N HN 0.476 nan 8.380 nan 0.000 0.424 353 A N 0.929 123.765 122.820 0.026 0.000 2.248 353 A HA -0.031 4.293 4.320 0.005 0.000 0.210 353 A C 1.766 179.370 177.584 0.033 0.000 1.174 353 A CA 0.607 52.660 52.037 0.027 0.000 0.750 353 A CB -0.233 18.782 19.000 0.026 0.000 0.780 353 A HN 0.185 nan 8.150 nan 0.000 0.478 354 L N -0.492 120.759 121.223 0.046 0.000 2.395 354 L HA -0.014 4.330 4.340 0.005 0.000 0.218 354 L C 0.180 177.084 176.870 0.056 0.000 1.130 354 L CA 0.903 55.782 54.840 0.066 0.000 0.826 354 L CB -1.338 40.787 42.059 0.109 0.000 0.941 354 L HN 0.518 nan 8.230 nan 0.000 0.451 355 N N 0.613 119.339 118.700 0.044 0.000 2.714 355 N HA -0.215 4.528 4.740 0.005 0.000 0.253 355 N C 0.201 175.742 175.510 0.051 0.000 1.024 355 N CA 0.560 53.631 53.050 0.035 0.000 0.726 355 N CB -1.462 37.036 38.487 0.017 0.000 0.908 355 N HN 0.291 nan 8.380 nan 0.000 0.542 356 L N -0.475 120.789 121.223 0.069 0.000 2.855 356 L HA 0.520 4.864 4.340 0.005 0.000 0.204 356 L C 0.849 177.756 176.870 0.061 0.000 1.206 356 L CA -0.305 54.589 54.840 0.090 0.000 0.942 356 L CB 0.447 42.566 42.059 0.100 0.000 1.832 356 L HN 0.175 nan 8.230 nan 0.000 0.522 357 K N 0.000 120.436 120.400 0.060 0.000 2.780 357 K HA 0.000 4.323 4.320 0.005 0.000 0.191 357 K CA 0.000 56.313 56.287 0.044 0.000 0.838 357 K CB 0.000 32.526 32.500 0.043 0.000 1.064 357 K HN 0.000 nan 8.250 nan 0.000 0.543