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 3h1h_1_A DATA FIRST_RESID 2 DATA SEQUENCE ATYAQTLQNI PETNVTTLDN GLRVASEESS QPTCTVGVWI GAGSRYENEK DATA SEQUENCE NNGAGYFVEH LAFKGTKKRP CAAFEKEVES MGAHFNGYTS REQTAFYIKA DATA SEQUENCE LSKDMPKVVE LLADVVQNCA LEESQIEKER GVILQELKEM DNDMTNVTFD DATA SEQUENCE YLHATAFQGT ALARTVEGTT ENIKHLTRAD LASYIDTHFK APRMVLAAAG DATA SEQUENCE GISHKELVDA ARQHFSGVSF TYKEDAVPIL PRCRFTGSEI RARDDALPVA DATA SEQUENCE HVALAVEGPG WADPDNVVLH VANAIIGRYD RTFGGGKHLS SRLAALAVEH DATA SEQUENCE KLCHSFQTFN TSYSDTGLFG FHFVADPLSI DDMMFCAQGE WMRLCTSTTE DATA SEQUENCE SEVKRAKNHL RSAMVAQLDG TTPVCETIGS HLLNYGRRIS LEEWDSRISA DATA SEQUENCE VDARMVRDVC SKYIYDKCPA LAAVGPIEQL LDYNRIRSGM YWI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.605 177.584 0.035 0.000 1.274 2 A CA 0.000 52.049 52.037 0.020 0.000 0.836 2 A CB 0.000 19.011 19.000 0.018 0.000 0.831 3 T N 0.016 114.592 114.554 0.037 0.000 2.922 3 T HA 0.448 4.798 4.350 -0.000 0.000 0.285 3 T C 1.024 175.780 174.700 0.093 0.000 1.005 3 T CA -0.033 62.108 62.100 0.067 0.000 1.061 3 T CB 0.830 69.733 68.868 0.058 0.000 1.007 3 T HN 1.160 nan 8.240 nan 0.000 0.502 4 Y N 2.733 123.036 120.300 0.005 0.000 2.062 4 Y HA -0.251 4.299 4.550 -0.000 0.000 0.276 4 Y C 2.563 178.467 175.900 0.007 0.000 1.189 4 Y CA 2.257 60.361 58.100 0.006 0.000 1.130 4 Y CB -1.224 37.242 38.460 0.009 0.000 0.959 4 Y HN 0.869 nan 8.280 nan 0.000 0.499 5 A N 0.353 123.118 122.820 -0.091 0.000 1.896 5 A HA -0.361 3.959 4.320 -0.000 0.000 0.220 5 A C 2.151 179.635 177.584 -0.167 0.000 1.206 5 A CA 2.595 54.521 52.037 -0.185 0.000 0.647 5 A CB -1.020 17.952 19.000 -0.047 0.000 0.828 5 A HN 0.744 nan 8.150 nan 0.000 0.455 6 Q N -1.045 118.706 119.800 -0.082 0.000 2.016 6 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 6 Q C 2.299 178.255 176.000 -0.074 0.000 0.978 6 Q CA 1.991 57.755 55.803 -0.064 0.000 0.833 6 Q CB -0.656 28.065 28.738 -0.028 0.000 0.895 6 Q HN 0.886 nan 8.270 nan 0.000 0.427 7 T N 0.161 114.681 114.554 -0.056 0.000 2.802 7 T HA -0.176 4.174 4.350 -0.000 0.000 0.269 7 T C 1.799 176.450 174.700 -0.080 0.000 1.062 7 T CA 1.030 63.106 62.100 -0.040 0.000 1.133 7 T CB -0.304 68.573 68.868 0.014 0.000 0.852 7 T HN 0.133 nan 8.240 nan 0.000 0.485 8 L N 0.235 121.359 121.223 -0.165 0.000 2.049 8 L HA -0.015 4.325 4.340 -0.000 0.000 0.203 8 L C 3.216 180.012 176.870 -0.122 0.000 1.074 8 L CA 1.276 56.007 54.840 -0.182 0.000 0.749 8 L CB -0.572 41.294 42.059 -0.322 0.000 0.907 8 L HN 0.266 nan 8.230 nan 0.000 0.439 9 Q N 0.158 119.889 119.800 -0.115 0.000 2.135 9 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 9 Q C 1.459 177.418 176.000 -0.067 0.000 0.981 9 Q CA 1.623 57.375 55.803 -0.085 0.000 0.856 9 Q CB -0.230 28.464 28.738 -0.073 0.000 0.902 9 Q HN 0.443 nan 8.270 nan 0.000 0.425 10 N N 0.085 118.749 118.700 -0.060 0.000 2.521 10 N HA 0.063 4.803 4.740 -0.000 0.000 0.188 10 N C -0.340 175.143 175.510 -0.044 0.000 1.146 10 N CA 0.341 53.364 53.050 -0.045 0.000 0.893 10 N CB 0.159 38.626 38.487 -0.035 0.000 0.975 10 N HN 0.199 nan 8.380 nan 0.000 0.451 11 I N 2.768 123.306 120.570 -0.053 0.000 2.452 11 I HA 0.103 4.273 4.170 -0.000 0.000 0.287 11 I C -1.596 174.487 176.117 -0.056 0.000 1.079 11 I CA -1.766 59.504 61.300 -0.050 0.000 1.387 11 I CB 0.436 38.404 38.000 -0.054 0.000 1.404 11 I HN -0.043 nan 8.210 nan 0.000 0.522 12 P HA -0.055 nan 4.420 nan 0.000 0.269 12 P C -0.348 176.909 177.300 -0.071 0.000 1.205 12 P CA 0.097 63.165 63.100 -0.055 0.000 0.780 12 P CB 0.779 32.451 31.700 -0.046 0.000 0.858 13 E N -0.185 119.968 120.200 -0.078 0.000 2.345 13 E HA 0.204 4.554 4.350 -0.000 0.000 0.259 13 E C -0.401 176.129 176.600 -0.117 0.000 1.117 13 E CA -0.403 55.938 56.400 -0.097 0.000 0.913 13 E CB 0.520 30.163 29.700 -0.094 0.000 1.057 13 E HN 0.313 nan 8.360 nan 0.000 0.432 14 T N 3.343 117.816 114.554 -0.136 0.000 2.753 14 T HA 0.268 4.618 4.350 -0.000 0.000 0.297 14 T C -0.569 174.016 174.700 -0.192 0.000 0.981 14 T CA -0.802 61.204 62.100 -0.157 0.000 0.956 14 T CB 0.231 69.001 68.868 -0.162 0.000 0.936 14 T HN 0.320 nan 8.240 nan 0.000 0.463 15 N N 2.693 121.226 118.700 -0.278 0.000 2.497 15 N HA 0.337 5.077 4.740 -0.000 0.000 0.271 15 N C -0.716 174.552 175.510 -0.403 0.000 1.142 15 N CA -0.193 52.577 53.050 -0.466 0.000 0.965 15 N CB 1.522 39.431 38.487 -0.964 0.000 1.077 15 N HN 0.283 nan 8.380 nan 0.000 0.462 16 V N 1.398 121.170 119.914 -0.237 0.000 2.525 16 V HA 0.475 4.595 4.120 -0.000 0.000 0.299 16 V C -0.047 176.059 176.094 0.021 0.000 1.034 16 V CA -0.805 61.454 62.300 -0.069 0.000 0.863 16 V CB 1.594 33.385 31.823 -0.055 0.000 0.999 16 V HN 0.807 nan 8.190 nan 0.000 0.423 17 T N 0.143 114.773 114.554 0.128 0.000 2.886 17 T HA 0.629 4.979 4.350 -0.000 0.000 0.292 17 T C -0.407 174.339 174.700 0.078 0.000 1.012 17 T CA -0.664 61.511 62.100 0.124 0.000 0.982 17 T CB 1.872 70.865 68.868 0.208 0.000 1.018 17 T HN 0.448 nan 8.240 nan 0.000 0.451 18 T N 3.857 118.440 114.554 0.047 0.000 2.829 18 T HA 0.530 4.880 4.350 -0.000 0.000 0.282 18 T C 0.782 175.498 174.700 0.026 0.000 0.990 18 T CA -0.771 61.346 62.100 0.029 0.000 1.028 18 T CB 0.681 69.561 68.868 0.020 0.000 0.951 18 T HN 0.499 nan 8.240 nan 0.000 0.460 19 L N 1.571 122.806 121.223 0.021 0.000 2.739 19 L HA 0.267 4.607 4.340 -0.000 0.000 0.175 19 L C 1.463 178.341 176.870 0.013 0.000 1.140 19 L CA -0.497 54.356 54.840 0.022 0.000 1.033 19 L CB 0.144 42.223 42.059 0.032 0.000 1.834 19 L HN 0.621 nan 8.230 nan 0.000 0.498 20 D N -0.486 119.919 120.400 0.009 0.000 2.262 20 D HA -0.080 4.560 4.640 -0.000 0.000 0.212 20 D C 1.503 177.798 176.300 -0.007 0.000 0.964 20 D CA 0.799 54.799 54.000 -0.000 0.000 0.875 20 D CB -0.215 40.581 40.800 -0.007 0.000 0.996 20 D HN 0.505 nan 8.370 nan 0.000 0.497 21 N N 0.494 119.190 118.700 -0.007 0.000 2.609 21 N HA -0.015 4.725 4.740 -0.000 0.000 0.190 21 N C 1.449 176.952 175.510 -0.012 0.000 1.157 21 N CA 1.136 54.177 53.050 -0.015 0.000 0.918 21 N CB -0.118 38.366 38.487 -0.006 0.000 0.978 21 N HN 0.235 nan 8.380 nan 0.000 0.448 22 G N -0.513 108.283 108.800 -0.007 0.000 2.213 22 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.226 22 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.226 22 G C -0.159 174.731 174.900 -0.017 0.000 0.992 22 G CA 0.075 45.171 45.100 -0.007 0.000 0.632 22 G HN 0.477 nan 8.290 nan 0.000 0.511 23 L N 1.204 122.406 121.223 -0.035 0.000 2.485 23 L HA 0.610 4.950 4.340 -0.000 0.000 0.275 23 L C 0.550 177.397 176.870 -0.039 0.000 1.207 23 L CA -0.361 54.437 54.840 -0.072 0.000 0.855 23 L CB 0.372 42.343 42.059 -0.147 0.000 1.114 23 L HN 0.269 nan 8.230 nan 0.000 0.485 24 R N 3.591 124.069 120.500 -0.037 0.000 2.445 24 R HA 0.544 4.884 4.340 -0.000 0.000 0.308 24 R C -1.311 174.996 176.300 0.011 0.000 0.961 24 R CA -0.734 55.364 56.100 -0.002 0.000 0.862 24 R CB 2.036 32.337 30.300 0.001 0.000 1.144 24 R HN 0.429 nan 8.270 nan 0.000 0.447 25 V N 2.363 122.310 119.914 0.055 0.000 2.417 25 V HA 0.751 4.871 4.120 -0.000 0.000 0.291 25 V C -0.200 175.991 176.094 0.163 0.000 1.024 25 V CA -0.655 61.703 62.300 0.096 0.000 0.861 25 V CB 1.422 33.300 31.823 0.092 0.000 0.985 25 V HN 0.934 nan 8.190 nan 0.000 0.436 26 A N 3.988 126.871 122.820 0.106 0.000 2.515 26 A HA 1.048 5.368 4.320 -0.000 0.000 0.296 26 A C -0.379 177.227 177.584 0.037 0.000 1.094 26 A CA -0.214 51.851 52.037 0.047 0.000 0.718 26 A CB 2.236 21.210 19.000 -0.044 0.000 1.307 26 A HN 1.420 nan 8.150 nan 0.000 0.408 27 S N -0.092 115.599 115.700 -0.014 0.000 2.586 27 S HA 0.549 5.019 4.470 -0.000 0.000 0.277 27 S C -1.320 173.246 174.600 -0.056 0.000 1.131 27 S CA -0.605 57.591 58.200 -0.007 0.000 0.848 27 S CB 1.264 64.520 63.200 0.094 0.000 1.091 27 S HN 1.067 nan 8.310 nan 0.000 0.453 28 E N 0.739 120.907 120.200 -0.054 0.000 2.182 28 E HA 0.357 4.707 4.350 -0.000 0.000 0.258 28 E C -0.867 175.713 176.600 -0.032 0.000 0.879 28 E CA -0.342 56.020 56.400 -0.062 0.000 0.754 28 E CB 1.255 30.906 29.700 -0.082 0.000 1.162 28 E HN 0.673 nan 8.360 nan 0.000 0.419 29 E N 3.467 123.652 120.200 -0.024 0.000 2.229 29 E HA 0.224 4.574 4.350 -0.000 0.000 0.283 29 E C -0.865 175.727 176.600 -0.015 0.000 1.030 29 E CA -0.269 56.126 56.400 -0.009 0.000 0.836 29 E CB 0.891 30.593 29.700 0.003 0.000 1.068 29 E HN 0.559 nan 8.360 nan 0.000 0.401 30 S N 2.198 117.892 115.700 -0.010 0.000 2.745 30 S HA 0.272 4.742 4.470 -0.000 0.000 0.306 30 S C 0.305 174.901 174.600 -0.006 0.000 1.137 30 S CA -0.772 57.422 58.200 -0.010 0.000 0.900 30 S CB 1.489 64.683 63.200 -0.010 0.000 1.176 30 S HN 0.333 nan 8.310 nan 0.000 0.520 31 S N -0.073 115.624 115.700 -0.006 0.000 2.763 31 S HA 0.193 4.663 4.470 -0.000 0.000 0.237 31 S C -0.065 174.533 174.600 -0.004 0.000 0.966 31 S CA -0.383 57.815 58.200 -0.004 0.000 1.017 31 S CB -0.933 62.265 63.200 -0.005 0.000 0.780 31 S HN 0.596 nan 8.310 nan 0.000 0.476 32 Q N 2.115 121.913 119.800 -0.003 0.000 2.274 32 Q HA 0.245 4.585 4.340 -0.000 0.000 0.256 32 Q C -1.577 174.421 176.000 -0.004 0.000 0.927 32 Q CA -2.227 53.575 55.803 -0.003 0.000 0.939 32 Q CB 1.286 30.023 28.738 -0.001 0.000 1.201 32 Q HN 0.234 nan 8.270 nan 0.000 0.426 33 P HA -0.148 nan 4.420 nan 0.000 0.222 33 P C 0.471 177.762 177.300 -0.015 0.000 1.147 33 P CA 1.128 64.221 63.100 -0.011 0.000 0.790 33 P CB 0.423 32.116 31.700 -0.012 0.000 0.780 34 T N -1.002 113.544 114.554 -0.014 0.000 2.950 34 T HA 0.570 4.919 4.350 -0.000 0.000 0.288 34 T C -0.328 174.369 174.700 -0.005 0.000 1.035 34 T CA -0.493 61.596 62.100 -0.018 0.000 1.028 34 T CB 1.102 69.955 68.868 -0.026 0.000 1.109 34 T HN 0.303 nan 8.240 nan 0.000 0.514 35 C N 0.383 119.683 119.300 -0.000 0.000 3.293 35 C HA 0.908 5.368 4.460 -0.000 0.000 0.362 35 C C -0.977 174.042 174.990 0.048 0.000 1.539 35 C CA -0.686 58.345 59.018 0.021 0.000 1.201 35 C CB 1.015 28.767 27.740 0.020 0.000 1.770 35 C HN 0.840 nan 8.230 nan 0.000 0.440 36 T N 1.398 115.999 114.554 0.079 0.000 3.031 36 T HA 0.640 4.990 4.350 -0.000 0.000 0.305 36 T C -0.597 174.208 174.700 0.176 0.000 0.985 36 T CA -0.275 61.913 62.100 0.147 0.000 1.008 36 T CB 1.131 70.103 68.868 0.174 0.000 1.005 36 T HN 1.905 nan 8.240 nan 0.000 0.444 37 V N 0.454 120.488 119.914 0.199 0.000 2.823 37 V HA 1.119 5.239 4.120 -0.000 0.000 0.312 37 V C -0.119 176.171 176.094 0.326 0.000 1.072 37 V CA -0.510 61.929 62.300 0.231 0.000 0.937 37 V CB 1.624 33.532 31.823 0.140 0.000 1.013 37 V HN 1.174 nan 8.190 nan 0.000 0.430 38 G N 0.851 109.932 108.800 0.468 0.000 2.523 38 G HA2 0.561 4.521 3.960 -0.000 0.000 0.291 38 G HA3 0.561 4.521 3.960 -0.000 0.000 0.291 38 G C -1.719 173.469 174.900 0.481 0.000 1.450 38 G CA -0.061 45.288 45.100 0.415 0.000 0.790 38 G HN 1.704 nan 8.290 nan 0.000 0.496 39 V N 1.163 121.217 119.914 0.234 0.000 2.398 39 V HA 0.716 4.836 4.120 -0.000 0.000 0.286 39 V C -0.890 175.241 176.094 0.062 0.000 1.026 39 V CA -0.965 61.461 62.300 0.210 0.000 0.868 39 V CB 0.949 32.822 31.823 0.083 0.000 0.982 39 V HN 0.634 nan 8.190 nan 0.000 0.443 40 W N 7.644 128.925 121.300 -0.032 0.000 2.329 40 W HA 0.533 5.193 4.660 -0.000 0.000 0.312 40 W C -0.449 176.019 176.519 -0.086 0.000 1.054 40 W CA -0.590 56.714 57.345 -0.068 0.000 1.245 40 W CB 1.716 31.152 29.460 -0.041 0.000 1.255 40 W HN 0.480 nan 8.180 nan 0.000 0.436 41 I N 2.241 122.801 120.570 -0.016 0.000 2.437 41 I HA 0.317 4.486 4.170 -0.000 0.000 0.298 41 I C 1.142 177.270 176.117 0.018 0.000 0.984 41 I CA -0.591 60.689 61.300 -0.033 0.000 1.214 41 I CB 1.423 39.340 38.000 -0.137 0.000 1.365 41 I HN 0.446 nan 8.210 nan 0.000 0.469 42 G N 4.579 113.377 108.800 -0.004 0.000 3.506 42 G HA2 0.575 4.535 3.960 -0.000 0.000 0.268 42 G HA3 0.575 4.535 3.960 -0.000 0.000 0.268 42 G C -0.099 174.607 174.900 -0.323 0.000 0.959 42 G CA -0.030 45.062 45.100 -0.014 0.000 1.823 42 G HN 0.742 nan 8.290 nan 0.000 0.615 43 A N -0.060 122.635 122.820 -0.209 0.000 2.564 43 A HA 1.073 5.393 4.320 -0.000 0.000 0.288 43 A C 0.094 177.749 177.584 0.117 0.000 1.164 43 A CA -0.260 51.532 52.037 -0.409 0.000 0.712 43 A CB 1.725 20.654 19.000 -0.118 0.000 1.303 43 A HN 1.869 nan 8.150 nan 0.000 0.418 44 G N -1.376 107.586 108.800 0.269 0.000 2.352 44 G HA2 0.520 4.479 3.960 -0.000 0.000 0.302 44 G HA3 0.520 4.479 3.960 -0.000 0.000 0.302 44 G C 0.695 175.791 174.900 0.326 0.000 1.370 44 G CA 0.619 45.926 45.100 0.345 0.000 0.918 44 G HN 2.039 nan 8.290 nan 0.000 0.610 45 S N -0.115 115.712 115.700 0.211 0.000 2.380 45 S HA -0.286 4.184 4.470 -0.000 0.000 0.229 45 S C 2.164 176.822 174.600 0.097 0.000 1.043 45 S CA 2.106 60.389 58.200 0.137 0.000 1.038 45 S CB -0.402 62.833 63.200 0.059 0.000 0.872 45 S HN 0.918 nan 8.310 nan 0.000 0.456 46 R N 0.151 120.677 120.500 0.044 0.000 2.117 46 R HA -0.134 4.206 4.340 -0.000 0.000 0.243 46 R C 1.685 177.912 176.300 -0.122 0.000 1.143 46 R CA 1.826 57.860 56.100 -0.110 0.000 0.968 46 R CB -0.488 29.651 30.300 -0.268 0.000 0.863 46 R HN 0.619 nan 8.270 nan 0.000 0.444 47 Y N 0.823 121.109 120.300 -0.024 0.000 2.632 47 Y HA 0.050 4.600 4.550 -0.000 0.000 0.301 47 Y C 0.638 176.535 175.900 -0.005 0.000 1.172 47 Y CA 0.272 58.335 58.100 -0.061 0.000 1.328 47 Y CB -0.011 38.288 38.460 -0.269 0.000 1.016 47 Y HN 0.178 nan 8.280 nan 0.000 0.529 48 E N 0.723 121.031 120.200 0.180 0.000 2.622 48 E HA 0.140 4.490 4.350 -0.000 0.000 0.255 48 E C 0.089 176.768 176.600 0.132 0.000 1.313 48 E CA -0.544 55.978 56.400 0.204 0.000 1.011 48 E CB 0.426 30.247 29.700 0.202 0.000 1.173 48 E HN 0.242 nan 8.360 nan 0.000 0.601 49 N N -0.666 118.107 118.700 0.122 0.000 3.157 49 N HA 0.010 4.750 4.740 -0.000 0.000 0.291 49 N C 0.456 176.008 175.510 0.070 0.000 1.515 49 N CA -0.492 52.607 53.050 0.082 0.000 0.807 49 N CB 1.280 39.815 38.487 0.080 0.000 1.672 49 N HN 0.529 nan 8.380 nan 0.000 0.592 50 E N 0.207 120.439 120.200 0.053 0.000 2.160 50 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 50 E C 0.883 177.514 176.600 0.051 0.000 0.991 50 E CA 1.417 57.845 56.400 0.047 0.000 0.810 50 E CB 0.130 29.851 29.700 0.036 0.000 0.742 50 E HN 0.514 nan 8.360 nan 0.000 0.466 51 K N -0.098 120.334 120.400 0.053 0.000 2.323 51 K HA -0.025 4.295 4.320 -0.000 0.000 0.197 51 K C 1.310 177.946 176.600 0.059 0.000 1.043 51 K CA 0.897 57.214 56.287 0.050 0.000 0.997 51 K CB 0.206 32.729 32.500 0.038 0.000 0.807 51 K HN 0.102 nan 8.250 nan 0.000 0.497 52 N N 0.045 118.793 118.700 0.080 0.000 2.177 52 N HA -0.075 4.665 4.740 -0.000 0.000 0.218 52 N C -0.560 175.012 175.510 0.105 0.000 1.182 52 N CA -0.241 52.865 53.050 0.094 0.000 0.882 52 N CB -0.371 38.202 38.487 0.142 0.000 1.052 52 N HN 0.032 nan 8.380 nan 0.000 0.519 53 N N 0.535 119.291 118.700 0.092 0.000 2.374 53 N HA 0.160 4.900 4.740 -0.000 0.000 0.269 53 N C 0.590 176.147 175.510 0.078 0.000 1.310 53 N CA 1.278 54.379 53.050 0.085 0.000 0.877 53 N CB -0.050 38.476 38.487 0.064 0.000 1.096 53 N HN 0.500 nan 8.380 nan 0.000 0.484 54 G N 2.034 110.882 108.800 0.080 0.000 2.231 54 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.206 54 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.206 54 G C 0.825 175.798 174.900 0.122 0.000 0.996 54 G CA 0.360 45.527 45.100 0.112 0.000 0.645 54 G HN 0.815 nan 8.290 nan 0.000 0.498 55 A N 0.854 123.674 122.820 -0.001 0.000 1.851 55 A HA 0.295 4.615 4.320 -0.000 0.000 0.216 55 A C 2.881 180.221 177.584 -0.406 0.000 1.195 55 A CA 2.590 54.531 52.037 -0.160 0.000 0.622 55 A CB -1.276 17.611 19.000 -0.188 0.000 0.831 55 A HN 1.674 nan 8.150 nan 0.000 0.444 56 G N -2.290 106.029 108.800 -0.801 0.000 2.532 56 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.222 56 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.222 56 G C 1.476 176.326 174.900 -0.084 0.000 1.102 56 G CA 1.495 46.147 45.100 -0.746 0.000 0.742 56 G HN 0.592 nan 8.290 nan 0.000 0.577 57 Y N -0.584 119.665 120.300 -0.084 0.000 2.347 57 Y HA 0.301 4.851 4.550 -0.000 0.000 0.294 57 Y C 2.194 178.165 175.900 0.119 0.000 1.117 57 Y CA -0.013 58.110 58.100 0.038 0.000 1.184 57 Y CB -0.213 38.275 38.460 0.047 0.000 1.047 57 Y HN 0.166 nan 8.280 nan 0.000 0.546 58 F N -0.874 119.059 119.950 -0.028 0.000 2.171 58 F HA -0.206 4.321 4.527 -0.000 0.000 0.300 58 F C 2.178 177.915 175.800 -0.105 0.000 1.090 58 F CA 1.310 59.249 58.000 -0.102 0.000 1.293 58 F CB -0.159 38.781 39.000 -0.101 0.000 1.013 58 F HN -0.143 nan 8.300 nan 0.000 0.486 59 V N -0.001 119.970 119.914 0.096 0.000 2.295 59 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 59 V C 2.323 178.418 176.094 0.002 0.000 1.049 59 V CA 2.225 64.536 62.300 0.018 0.000 1.024 59 V CB -0.569 31.213 31.823 -0.067 0.000 0.648 59 V HN 0.347 nan 8.190 nan 0.000 0.447 60 E N -0.735 119.465 120.200 -0.000 0.000 2.130 60 E HA -0.282 4.067 4.350 -0.000 0.000 0.196 60 E C 2.103 178.536 176.600 -0.279 0.000 0.998 60 E CA 1.440 57.790 56.400 -0.083 0.000 0.806 60 E CB -0.154 29.446 29.700 -0.167 0.000 0.738 60 E HN 0.695 nan 8.360 nan 0.000 0.459 61 H N -0.741 118.135 119.070 -0.323 0.000 2.521 61 H HA -0.023 4.533 4.556 -0.000 0.000 0.286 61 H C 1.726 176.928 175.328 -0.211 0.000 1.034 61 H CA 0.859 56.721 56.048 -0.311 0.000 1.278 61 H CB 0.401 29.902 29.762 -0.434 0.000 1.386 61 H HN 0.236 nan 8.280 nan 0.000 0.567 62 L N -1.069 120.099 121.223 -0.091 0.000 2.701 62 L HA 0.226 4.566 4.340 -0.000 0.000 0.238 62 L C 2.559 179.279 176.870 -0.249 0.000 1.106 62 L CA 0.269 55.048 54.840 -0.102 0.000 0.898 62 L CB 0.133 42.181 42.059 -0.018 0.000 1.188 62 L HN 0.042 nan 8.230 nan 0.000 0.508 63 A N 0.720 123.283 122.820 -0.428 0.000 1.986 63 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 63 A C 1.895 179.024 177.584 -0.759 0.000 1.171 63 A CA 1.822 53.432 52.037 -0.712 0.000 0.640 63 A CB -0.642 17.691 19.000 -1.111 0.000 0.811 63 A HN 0.449 nan 8.150 nan 0.000 0.451 64 F N -1.028 118.705 119.950 -0.361 0.000 2.714 64 F HA 0.114 4.641 4.527 -0.000 0.000 0.294 64 F C 1.327 176.974 175.800 -0.256 0.000 1.120 64 F CA -0.038 57.742 58.000 -0.366 0.000 1.398 64 F CB 0.331 39.164 39.000 -0.278 0.000 1.120 64 F HN -0.103 nan 8.300 nan 0.000 0.589 65 K N 1.688 122.058 120.400 -0.050 0.000 2.773 65 K HA 0.202 4.522 4.320 -0.000 0.000 0.222 65 K C 0.682 177.240 176.600 -0.069 0.000 0.985 65 K CA 0.502 56.778 56.287 -0.018 0.000 1.126 65 K CB -1.145 31.347 32.500 -0.014 0.000 0.919 65 K HN 0.348 nan 8.250 nan 0.000 0.487 66 G N 0.745 109.413 108.800 -0.220 0.000 2.692 66 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.686 66 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.686 66 G C -0.060 174.699 174.900 -0.234 0.000 1.243 66 G CA -0.340 44.619 45.100 -0.235 0.000 0.782 66 G HN 0.268 nan 8.290 nan 0.000 0.625 67 T N -1.501 112.937 114.554 -0.193 0.000 2.876 67 T HA 0.692 5.042 4.350 -0.000 0.000 0.277 67 T C 1.456 176.133 174.700 -0.038 0.000 0.997 67 T CA 0.283 62.312 62.100 -0.118 0.000 0.966 67 T CB 1.703 70.512 68.868 -0.098 0.000 1.312 67 T HN 0.639 nan 8.240 nan 0.000 0.598 68 K N -0.120 120.267 120.400 -0.021 0.000 2.076 68 K HA 0.053 4.373 4.320 -0.000 0.000 0.204 68 K C 2.382 178.991 176.600 0.016 0.000 1.051 68 K CA 0.753 57.039 56.287 -0.001 0.000 0.949 68 K CB -0.141 32.358 32.500 -0.001 0.000 0.726 68 K HN 0.542 nan 8.250 nan 0.000 0.443 69 K N 1.485 121.899 120.400 0.025 0.000 2.097 69 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 69 K C 0.220 176.851 176.600 0.053 0.000 1.049 69 K CA 1.029 57.339 56.287 0.037 0.000 0.933 69 K CB 0.248 32.774 32.500 0.044 0.000 0.717 69 K HN 0.089 nan 8.250 nan 0.000 0.442 70 R N 0.629 121.173 120.500 0.074 0.000 2.797 70 R HA 0.318 4.658 4.340 -0.000 0.000 0.274 70 R C -2.904 173.468 176.300 0.121 0.000 1.652 70 R CA -1.700 54.463 56.100 0.105 0.000 1.175 70 R CB 1.154 31.541 30.300 0.146 0.000 1.283 70 R HN -0.116 nan 8.270 nan 0.000 0.513 71 P HA -0.178 nan 4.420 nan 0.000 0.273 71 P C 0.864 178.232 177.300 0.114 0.000 1.248 71 P CA -0.268 62.873 63.100 0.067 0.000 0.817 71 P CB 0.659 32.387 31.700 0.046 0.000 0.995 72 C N 1.042 120.393 119.300 0.086 0.000 2.383 72 C HA -0.271 4.189 4.460 -0.000 0.000 0.280 72 C C 2.971 178.046 174.990 0.142 0.000 1.172 72 C CA 3.076 62.163 59.018 0.114 0.000 1.785 72 C CB -1.927 25.854 27.740 0.068 0.000 1.959 72 C HN 0.699 nan 8.230 nan 0.000 0.424 73 A N 0.605 123.478 122.820 0.089 0.000 1.882 73 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 73 A C 2.514 180.143 177.584 0.075 0.000 1.253 73 A CA 3.943 56.021 52.037 0.069 0.000 0.664 73 A CB -1.626 17.401 19.000 0.045 0.000 0.838 73 A HN 1.268 nan 8.150 nan 0.000 0.460 74 A N -1.588 121.281 122.820 0.081 0.000 1.851 74 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 74 A C 2.116 179.749 177.584 0.082 0.000 1.195 74 A CA 1.940 54.019 52.037 0.070 0.000 0.622 74 A CB -0.916 18.128 19.000 0.074 0.000 0.831 74 A HN 0.845 nan 8.150 nan 0.000 0.444 75 F N 0.981 120.947 119.950 0.027 0.000 2.065 75 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 75 F C 2.349 178.176 175.800 0.045 0.000 1.112 75 F CA 2.419 60.444 58.000 0.042 0.000 1.212 75 F CB -0.323 38.714 39.000 0.063 0.000 0.975 75 F HN 0.390 nan 8.300 nan 0.000 0.476 76 E N 0.133 120.411 120.200 0.130 0.000 2.023 76 E HA -0.301 4.049 4.350 -0.000 0.000 0.196 76 E C 2.270 178.826 176.600 -0.074 0.000 1.003 76 E CA 1.585 58.002 56.400 0.029 0.000 0.809 76 E CB -0.428 29.330 29.700 0.096 0.000 0.755 76 E HN 0.406 nan 8.360 nan 0.000 0.449 77 K N 1.207 121.586 120.400 -0.035 0.000 2.074 77 K HA -0.259 4.061 4.320 -0.000 0.000 0.209 77 K C 2.145 178.693 176.600 -0.087 0.000 1.048 77 K CA 1.774 58.034 56.287 -0.045 0.000 0.926 77 K CB -0.064 32.425 32.500 -0.018 0.000 0.713 77 K HN 0.062 nan 8.250 nan 0.000 0.444 78 E N -0.072 120.052 120.200 -0.127 0.000 2.153 78 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 78 E C 1.662 178.141 176.600 -0.202 0.000 0.988 78 E CA 1.123 57.430 56.400 -0.155 0.000 0.811 78 E CB 0.242 29.840 29.700 -0.169 0.000 0.746 78 E HN 0.194 nan 8.360 nan 0.000 0.466 79 V N 0.841 120.589 119.914 -0.277 0.000 2.379 79 V HA -0.141 3.979 4.120 -0.000 0.000 0.243 79 V C 2.036 178.049 176.094 -0.134 0.000 1.035 79 V CA 1.633 63.782 62.300 -0.251 0.000 1.035 79 V CB -0.470 31.158 31.823 -0.324 0.000 0.673 79 V HN 0.214 nan 8.190 nan 0.000 0.457 80 E N 1.397 121.537 120.200 -0.101 0.000 2.049 80 E HA -0.241 4.109 4.350 -0.000 0.000 0.198 80 E C 2.250 178.824 176.600 -0.044 0.000 1.007 80 E CA 1.973 58.345 56.400 -0.048 0.000 0.809 80 E CB -0.338 29.340 29.700 -0.037 0.000 0.749 80 E HN 0.715 nan 8.360 nan 0.000 0.450 81 S N 0.923 116.589 115.700 -0.056 0.000 2.493 81 S HA -0.166 4.304 4.470 -0.000 0.000 0.243 81 S C 1.856 176.425 174.600 -0.051 0.000 0.991 81 S CA 1.326 59.497 58.200 -0.048 0.000 0.957 81 S CB -0.477 62.694 63.200 -0.048 0.000 0.756 81 S HN 0.373 nan 8.310 nan 0.000 0.521 82 M N -1.309 118.252 119.600 -0.066 0.000 2.405 82 M HA 0.565 5.045 4.480 -0.000 0.000 0.292 82 M C 1.172 177.432 176.300 -0.066 0.000 1.111 82 M CA 0.222 55.481 55.300 -0.067 0.000 0.979 82 M CB 0.055 32.604 32.600 -0.085 0.000 1.426 82 M HN 0.242 nan 8.290 nan 0.000 0.509 83 G N 1.609 110.379 108.800 -0.051 0.000 2.168 83 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 83 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 83 G C 0.176 175.022 174.900 -0.089 0.000 0.997 83 G CA 0.333 45.404 45.100 -0.048 0.000 0.708 83 G HN 0.963 nan 8.290 nan 0.000 0.520 84 A N -0.214 122.563 122.820 -0.071 0.000 2.316 84 A HA 0.710 5.030 4.320 -0.000 0.000 0.284 84 A C 0.072 177.692 177.584 0.060 0.000 1.115 84 A CA -0.339 51.646 52.037 -0.086 0.000 0.812 84 A CB 0.471 19.401 19.000 -0.116 0.000 1.064 84 A HN 0.580 nan 8.150 nan 0.000 0.489 85 H N 0.729 119.771 119.070 -0.047 0.000 2.476 85 H HA 0.397 4.953 4.556 -0.000 0.000 0.328 85 H C -1.559 173.757 175.328 -0.020 0.000 1.073 85 H CA -0.427 55.604 56.048 -0.028 0.000 1.229 85 H CB 1.423 31.188 29.762 0.005 0.000 1.432 85 H HN 0.537 nan 8.280 nan 0.000 0.477 86 F N 3.469 123.334 119.950 -0.142 0.000 2.402 86 F HA 0.323 4.850 4.527 -0.000 0.000 0.355 86 F C -0.531 174.950 175.800 -0.533 0.000 1.123 86 F CA -1.032 56.773 58.000 -0.324 0.000 1.021 86 F CB 0.804 39.558 39.000 -0.409 0.000 1.160 86 F HN 0.562 nan 8.300 nan 0.000 0.451 87 N N 2.123 120.770 118.700 -0.088 0.000 2.571 87 N HA 0.848 5.588 4.740 -0.000 0.000 0.273 87 N C -0.895 174.362 175.510 -0.422 0.000 1.340 87 N CA -0.312 52.504 53.050 -0.390 0.000 0.789 87 N CB 2.399 40.628 38.487 -0.431 0.000 1.514 87 N HN 0.799 nan 8.380 nan 0.000 0.499 88 G N -0.616 108.080 108.800 -0.175 0.000 2.506 88 G HA2 0.492 4.452 3.960 -0.000 0.000 0.292 88 G HA3 0.492 4.452 3.960 -0.000 0.000 0.292 88 G C -2.225 172.629 174.900 -0.076 0.000 1.425 88 G CA -0.431 44.550 45.100 -0.199 0.000 0.788 88 G HN 0.697 nan 8.290 nan 0.000 0.490 89 Y N -2.409 117.732 120.300 -0.266 0.000 2.764 89 Y HA 0.868 5.418 4.550 -0.000 0.000 0.331 89 Y C -0.750 175.039 175.900 -0.184 0.000 1.280 89 Y CA -0.968 57.045 58.100 -0.144 0.000 1.065 89 Y CB 1.492 39.946 38.460 -0.011 0.000 1.319 89 Y HN 1.121 nan 8.280 nan 0.000 0.453 90 T N 1.033 115.802 114.554 0.357 0.000 3.172 90 T HA 0.623 4.973 4.350 -0.000 0.000 0.320 90 T C -0.968 173.908 174.700 0.293 0.000 1.085 90 T CA 0.175 62.429 62.100 0.255 0.000 1.052 90 T CB 0.708 69.680 68.868 0.173 0.000 1.107 90 T HN 1.502 nan 8.240 nan 0.000 0.458 91 S N 4.346 120.220 115.700 0.290 0.000 2.786 91 S HA 0.582 5.051 4.470 -0.000 0.000 0.302 91 S C 1.246 175.964 174.600 0.197 0.000 1.080 91 S CA -0.981 57.342 58.200 0.206 0.000 0.925 91 S CB 1.117 64.452 63.200 0.225 0.000 1.325 91 S HN 0.761 nan 8.310 nan 0.000 0.576 92 R N 0.448 121.067 120.500 0.198 0.000 2.073 92 R HA 0.165 4.505 4.340 -0.000 0.000 0.229 92 R C 1.230 177.662 176.300 0.220 0.000 1.120 92 R CA 1.326 57.518 56.100 0.153 0.000 0.967 92 R CB -0.183 30.157 30.300 0.067 0.000 0.862 92 R HN 0.686 nan 8.270 nan 0.000 0.436 93 E N -0.259 120.143 120.200 0.338 0.000 2.603 93 E HA 0.082 4.432 4.350 -0.000 0.000 0.211 93 E C -0.507 176.342 176.600 0.415 0.000 0.995 93 E CA -0.084 56.562 56.400 0.411 0.000 0.990 93 E CB 1.007 30.964 29.700 0.430 0.000 1.036 93 E HN 0.105 nan 8.360 nan 0.000 0.475 94 Q N 0.587 120.592 119.800 0.342 0.000 2.313 94 Q HA 0.245 4.585 4.340 -0.000 0.000 0.260 94 Q C -1.508 174.619 176.000 0.211 0.000 0.972 94 Q CA -0.296 55.674 55.803 0.278 0.000 0.886 94 Q CB 2.005 30.941 28.738 0.331 0.000 1.373 94 Q HN -0.063 nan 8.270 nan 0.000 0.416 95 T N 1.250 115.824 114.554 0.033 0.000 2.924 95 T HA 0.982 5.332 4.350 -0.000 0.000 0.291 95 T C -1.250 173.110 174.700 -0.567 0.000 1.045 95 T CA -0.375 61.598 62.100 -0.212 0.000 1.015 95 T CB 1.730 70.558 68.868 -0.066 0.000 1.103 95 T HN 0.717 nan 8.240 nan 0.000 0.496 96 A N 1.540 123.705 122.820 -1.092 0.000 2.577 96 A HA 0.733 5.053 4.320 -0.000 0.000 0.297 96 A C -2.082 174.749 177.584 -1.255 0.000 1.060 96 A CA -0.844 50.469 52.037 -1.207 0.000 0.697 96 A CB 0.948 18.959 19.000 -1.649 0.000 1.281 96 A HN 0.649 nan 8.150 nan 0.000 0.402 97 F N 1.512 121.213 119.950 -0.415 0.000 2.539 97 F HA 0.681 5.208 4.527 -0.000 0.000 0.318 97 F C -0.285 175.546 175.800 0.052 0.000 1.135 97 F CA -0.381 57.581 58.000 -0.064 0.000 0.915 97 F CB 1.870 40.919 39.000 0.081 0.000 1.176 97 F HN 0.672 nan 8.300 nan 0.000 0.440 98 Y N 0.812 121.257 120.300 0.241 0.000 2.588 98 Y HA 0.893 5.443 4.550 -0.000 0.000 0.343 98 Y C -1.586 174.408 175.900 0.156 0.000 1.065 98 Y CA -1.778 56.380 58.100 0.096 0.000 1.038 98 Y CB 1.491 39.909 38.460 -0.071 0.000 1.297 98 Y HN 0.434 nan 8.280 nan 0.000 0.467 99 I N 2.169 122.818 120.570 0.131 0.000 2.689 99 I HA 0.438 4.608 4.170 -0.000 0.000 0.299 99 I C -1.047 175.135 176.117 0.109 0.000 1.059 99 I CA -1.229 60.046 61.300 -0.041 0.000 1.055 99 I CB 2.499 40.300 38.000 -0.332 0.000 1.243 99 I HN 0.603 nan 8.210 nan 0.000 0.425 100 K N 4.760 125.210 120.400 0.083 0.000 2.425 100 K HA 0.810 5.130 4.320 -0.000 0.000 0.259 100 K C -0.974 175.586 176.600 -0.065 0.000 0.978 100 K CA -0.323 55.999 56.287 0.060 0.000 0.883 100 K CB 2.104 34.669 32.500 0.109 0.000 1.110 100 K HN 0.708 nan 8.250 nan 0.000 0.436 101 A N 2.775 125.560 122.820 -0.060 0.000 2.568 101 A HA 0.564 4.884 4.320 -0.000 0.000 0.291 101 A C -1.226 176.321 177.584 -0.062 0.000 1.159 101 A CA -0.904 51.078 52.037 -0.091 0.000 0.679 101 A CB 0.686 19.631 19.000 -0.092 0.000 1.285 101 A HN 0.566 nan 8.150 nan 0.000 0.428 102 L N 1.033 122.218 121.223 -0.064 0.000 2.456 102 L HA 0.171 4.511 4.340 -0.000 0.000 0.272 102 L C 1.522 178.372 176.870 -0.032 0.000 1.189 102 L CA -0.280 54.533 54.840 -0.045 0.000 0.846 102 L CB 0.669 42.701 42.059 -0.045 0.000 1.111 102 L HN 0.839 nan 8.230 nan 0.000 0.475 103 S N 0.999 116.687 115.700 -0.021 0.000 2.387 103 S HA -0.222 4.248 4.470 -0.000 0.000 0.230 103 S C 1.820 176.411 174.600 -0.016 0.000 1.035 103 S CA 1.467 59.660 58.200 -0.012 0.000 1.014 103 S CB -0.252 62.945 63.200 -0.006 0.000 0.836 103 S HN 0.665 nan 8.310 nan 0.000 0.466 104 K N 1.129 121.517 120.400 -0.021 0.000 2.173 104 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 104 K C 0.378 176.962 176.600 -0.027 0.000 1.046 104 K CA 1.703 57.977 56.287 -0.022 0.000 0.929 104 K CB -0.103 32.383 32.500 -0.024 0.000 0.720 104 K HN 0.323 nan 8.250 nan 0.000 0.453 105 D N 0.340 120.719 120.400 -0.035 0.000 2.368 105 D HA -0.054 4.586 4.640 -0.000 0.000 0.218 105 D C 1.449 177.722 176.300 -0.046 0.000 1.112 105 D CA -0.068 53.905 54.000 -0.046 0.000 0.834 105 D CB 0.281 41.044 40.800 -0.061 0.000 0.953 105 D HN 0.275 nan 8.370 nan 0.000 0.505 106 M N 2.142 121.724 119.600 -0.030 0.000 2.128 106 M HA -0.152 4.328 4.480 -0.000 0.000 0.253 106 M C -1.185 175.098 176.300 -0.028 0.000 1.079 106 M CA 2.077 57.365 55.300 -0.019 0.000 1.082 106 M CB -1.136 31.463 32.600 -0.001 0.000 1.335 106 M HN -0.037 nan 8.290 nan 0.000 0.401 107 P HA -0.135 nan 4.420 nan 0.000 0.215 107 P C 1.249 178.494 177.300 -0.092 0.000 1.157 107 P CA 1.588 64.668 63.100 -0.035 0.000 0.856 107 P CB -0.361 31.337 31.700 -0.004 0.000 0.786 108 K N 0.509 120.857 120.400 -0.086 0.000 2.152 108 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 108 K C 1.885 178.392 176.600 -0.156 0.000 1.048 108 K CA 1.181 57.398 56.287 -0.118 0.000 0.933 108 K CB -1.030 31.416 32.500 -0.089 0.000 0.721 108 K HN -0.118 nan 8.250 nan 0.000 0.447 109 V N -0.075 119.760 119.914 -0.132 0.000 2.223 109 V HA -0.248 3.872 4.120 -0.000 0.000 0.244 109 V C 2.218 178.220 176.094 -0.153 0.000 1.045 109 V CA 1.829 64.042 62.300 -0.144 0.000 1.000 109 V CB -0.569 31.191 31.823 -0.106 0.000 0.635 109 V HN 0.170 nan 8.190 nan 0.000 0.445 110 V N 0.132 119.974 119.914 -0.121 0.000 2.311 110 V HA -0.408 3.712 4.120 -0.000 0.000 0.256 110 V C 2.476 178.369 176.094 -0.335 0.000 1.077 110 V CA 2.606 64.830 62.300 -0.126 0.000 1.067 110 V CB -0.735 31.045 31.823 -0.072 0.000 0.659 110 V HN 0.709 nan 8.190 nan 0.000 0.451 111 E N -0.165 119.733 120.200 -0.504 0.000 2.031 111 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 111 E C 2.253 178.644 176.600 -0.349 0.000 0.994 111 E CA 1.638 57.571 56.400 -0.779 0.000 0.800 111 E CB -0.160 29.113 29.700 -0.712 0.000 0.752 111 E HN 0.590 nan 8.360 nan 0.000 0.447 112 L N 0.736 121.847 121.223 -0.186 0.000 1.990 112 L HA -0.279 4.061 4.340 -0.000 0.000 0.213 112 L C 2.701 179.607 176.870 0.059 0.000 1.072 112 L CA 1.219 56.060 54.840 0.002 0.000 0.755 112 L CB -0.644 41.397 42.059 -0.030 0.000 0.889 112 L HN 0.263 nan 8.230 nan 0.000 0.432 113 L N -0.305 120.914 121.223 -0.007 0.000 1.951 113 L HA -0.317 4.023 4.340 -0.000 0.000 0.222 113 L C 2.904 179.839 176.870 0.107 0.000 1.078 113 L CA 1.620 56.519 54.840 0.098 0.000 0.778 113 L CB -0.953 41.196 42.059 0.150 0.000 0.893 113 L HN 0.315 nan 8.230 nan 0.000 0.436 114 A N -0.364 122.440 122.820 -0.027 0.000 1.958 114 A HA -0.344 3.976 4.320 -0.000 0.000 0.221 114 A C 1.946 179.524 177.584 -0.010 0.000 1.178 114 A CA 2.439 54.405 52.037 -0.118 0.000 0.642 114 A CB -0.809 17.664 19.000 -0.879 0.000 0.816 114 A HN 0.571 nan 8.150 nan 0.000 0.453 115 D N -0.925 119.457 120.400 -0.029 0.000 2.183 115 D HA -0.065 4.575 4.640 -0.000 0.000 0.203 115 D C 1.750 178.046 176.300 -0.007 0.000 0.969 115 D CA 1.274 55.278 54.000 0.007 0.000 0.842 115 D CB -0.002 40.822 40.800 0.039 0.000 0.957 115 D HN 0.203 nan 8.370 nan 0.000 0.484 116 V N 0.404 120.314 119.914 -0.007 0.000 2.283 116 V HA -0.170 3.950 4.120 -0.000 0.000 0.243 116 V C 2.729 178.734 176.094 -0.149 0.000 1.039 116 V CA 1.587 63.810 62.300 -0.127 0.000 1.016 116 V CB -0.648 31.119 31.823 -0.093 0.000 0.650 116 V HN 0.316 nan 8.190 nan 0.000 0.449 117 V N -1.424 118.444 119.914 -0.076 0.000 2.548 117 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 117 V C 1.990 178.181 176.094 0.161 0.000 1.055 117 V CA 1.846 64.148 62.300 0.003 0.000 1.065 117 V CB -0.706 31.102 31.823 -0.026 0.000 0.681 117 V HN 0.569 nan 8.190 nan 0.000 0.462 118 Q N 0.306 120.180 119.800 0.122 0.000 2.297 118 Q HA 0.191 4.531 4.340 -0.000 0.000 0.203 118 Q C 0.686 176.725 176.000 0.065 0.000 0.931 118 Q CA 0.823 56.698 55.803 0.121 0.000 0.885 118 Q CB 0.186 29.003 28.738 0.132 0.000 0.991 118 Q HN 0.622 nan 8.270 nan 0.000 0.498 119 N N 0.190 118.905 118.700 0.024 0.000 2.553 119 N HA 0.105 4.845 4.740 -0.000 0.000 0.298 119 N C -1.047 174.438 175.510 -0.043 0.000 1.596 119 N CA -0.091 52.958 53.050 -0.002 0.000 0.910 119 N CB 0.808 39.297 38.487 0.003 0.000 1.336 119 N HN 0.117 nan 8.380 nan 0.000 0.497 120 C N 0.925 120.190 119.300 -0.059 0.000 2.563 120 C HA 0.203 4.663 4.460 -0.000 0.000 0.411 120 C C 2.252 177.196 174.990 -0.077 0.000 1.386 120 C CA 0.049 59.003 59.018 -0.106 0.000 1.703 120 C CB -0.450 27.225 27.740 -0.108 0.000 2.596 120 C HN 0.659 nan 8.230 nan 0.000 0.605 121 A N 4.840 127.606 122.820 -0.090 0.000 1.834 121 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 121 A C 1.515 179.073 177.584 -0.043 0.000 1.203 121 A CA 1.901 53.904 52.037 -0.057 0.000 0.621 121 A CB -0.788 18.179 19.000 -0.054 0.000 0.841 121 A HN 1.457 nan 8.150 nan 0.000 0.446 122 L N -1.526 119.671 121.223 -0.044 0.000 3.730 122 L HA -0.154 4.186 4.340 -0.000 0.000 0.410 122 L C -0.069 176.789 176.870 -0.021 0.000 1.234 122 L CA 0.058 54.880 54.840 -0.031 0.000 0.911 122 L CB -1.969 40.066 42.059 -0.040 0.000 1.942 122 L HN 0.585 nan 8.230 nan 0.000 0.860 123 E N 0.924 121.116 120.200 -0.014 0.000 2.498 123 E HA -0.015 4.335 4.350 -0.000 0.000 0.252 123 E C 1.139 177.739 176.600 -0.000 0.000 1.025 123 E CA 0.454 56.850 56.400 -0.007 0.000 0.938 123 E CB 1.000 30.699 29.700 -0.002 0.000 0.947 123 E HN 0.247 nan 8.360 nan 0.000 0.478 124 E N 2.660 122.856 120.200 -0.005 0.000 2.169 124 E HA -0.295 4.055 4.350 -0.000 0.000 0.202 124 E C 1.445 178.049 176.600 0.007 0.000 1.016 124 E CA 2.161 58.558 56.400 -0.005 0.000 0.817 124 E CB -0.137 29.558 29.700 -0.008 0.000 0.736 124 E HN 0.580 nan 8.360 nan 0.000 0.462 125 S N -0.948 114.757 115.700 0.010 0.000 2.428 125 S HA -0.144 4.326 4.470 -0.000 0.000 0.230 125 S C 2.019 176.633 174.600 0.023 0.000 1.014 125 S CA 0.943 59.152 58.200 0.015 0.000 0.957 125 S CB -0.221 62.985 63.200 0.011 0.000 0.784 125 S HN 0.202 nan 8.310 nan 0.000 0.499 126 Q N 1.606 121.422 119.800 0.026 0.000 2.083 126 Q HA 0.147 4.487 4.340 -0.000 0.000 0.198 126 Q C 1.873 177.912 176.000 0.066 0.000 0.969 126 Q CA 1.467 57.291 55.803 0.034 0.000 0.838 126 Q CB -0.675 28.079 28.738 0.026 0.000 0.900 126 Q HN 0.664 nan 8.270 nan 0.000 0.436 127 I N 0.888 121.515 120.570 0.094 0.000 2.068 127 I HA -0.335 3.835 4.170 -0.000 0.000 0.238 127 I C 1.942 178.176 176.117 0.195 0.000 1.046 127 I CA 1.666 63.087 61.300 0.201 0.000 1.306 127 I CB -0.462 37.593 38.000 0.092 0.000 1.023 127 I HN 0.264 nan 8.210 nan 0.000 0.399 128 E N 0.596 120.858 120.200 0.104 0.000 2.339 128 E HA -0.272 4.078 4.350 -0.000 0.000 0.201 128 E C 1.848 178.477 176.600 0.050 0.000 1.015 128 E CA 1.113 57.560 56.400 0.078 0.000 0.841 128 E CB -0.337 29.387 29.700 0.041 0.000 0.754 128 E HN 0.529 nan 8.360 nan 0.000 0.508 129 K N 0.527 120.948 120.400 0.036 0.000 2.121 129 K HA -0.053 4.267 4.320 -0.000 0.000 0.203 129 K C 1.670 178.242 176.600 -0.047 0.000 1.041 129 K CA 0.352 56.639 56.287 -0.000 0.000 0.969 129 K CB 0.306 32.808 32.500 0.003 0.000 0.799 129 K HN -0.141 nan 8.250 nan 0.000 0.456 130 E N 1.068 121.227 120.200 -0.070 0.000 2.265 130 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 130 E C 1.894 178.224 176.600 -0.450 0.000 0.996 130 E CA 0.745 57.002 56.400 -0.238 0.000 0.832 130 E CB -0.075 29.470 29.700 -0.259 0.000 0.756 130 E HN 0.318 nan 8.360 nan 0.000 0.491 131 R N 0.362 120.729 120.500 -0.221 0.000 2.066 131 R HA -0.076 4.264 4.340 -0.000 0.000 0.232 131 R C 2.320 178.532 176.300 -0.146 0.000 1.131 131 R CA 1.616 57.633 56.100 -0.138 0.000 0.955 131 R CB -0.506 29.914 30.300 0.200 0.000 0.851 131 R HN 0.156 nan 8.270 nan 0.000 0.432 132 G N 0.183 108.928 108.800 -0.092 0.000 2.408 132 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 132 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 132 G C 1.387 176.225 174.900 -0.102 0.000 1.150 132 G CA 0.723 45.779 45.100 -0.074 0.000 0.776 132 G HN 0.214 nan 8.290 nan 0.000 0.542 133 V N 1.272 121.100 119.914 -0.143 0.000 2.244 133 V HA -0.148 3.972 4.120 -0.000 0.000 0.244 133 V C 2.809 178.794 176.094 -0.182 0.000 1.042 133 V CA 1.642 63.862 62.300 -0.134 0.000 1.006 133 V CB -0.418 31.333 31.823 -0.121 0.000 0.641 133 V HN 0.395 nan 8.190 nan 0.000 0.446 134 I N -0.468 119.865 120.570 -0.395 0.000 2.163 134 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 134 I C 2.421 178.452 176.117 -0.145 0.000 1.085 134 I CA 1.692 62.764 61.300 -0.380 0.000 1.347 134 I CB -0.471 37.160 38.000 -0.615 0.000 1.044 134 I HN 0.262 nan 8.210 nan 0.000 0.408 135 L N 0.143 121.283 121.223 -0.139 0.000 2.129 135 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 135 L C 2.770 179.613 176.870 -0.045 0.000 1.087 135 L CA 1.293 56.090 54.840 -0.071 0.000 0.757 135 L CB -0.434 41.588 42.059 -0.062 0.000 0.896 135 L HN 0.398 nan 8.230 nan 0.000 0.434 136 Q N -0.270 119.502 119.800 -0.047 0.000 2.096 136 Q HA -0.152 4.188 4.340 -0.000 0.000 0.197 136 Q C 2.039 178.036 176.000 -0.005 0.000 0.964 136 Q CA 1.211 57.000 55.803 -0.023 0.000 0.838 136 Q CB -0.055 28.671 28.738 -0.020 0.000 0.906 136 Q HN 0.585 nan 8.270 nan 0.000 0.444 137 E N 0.528 120.734 120.200 0.009 0.000 2.118 137 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 137 E C 2.184 178.800 176.600 0.028 0.000 0.992 137 E CA 0.697 57.126 56.400 0.048 0.000 0.804 137 E CB -0.143 29.636 29.700 0.131 0.000 0.741 137 E HN 0.285 nan 8.360 nan 0.000 0.458 138 L N 0.948 122.177 121.223 0.010 0.000 2.017 138 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 138 L C 2.467 179.325 176.870 -0.019 0.000 1.073 138 L CA 1.384 56.217 54.840 -0.013 0.000 0.745 138 L CB -0.383 41.664 42.059 -0.020 0.000 0.894 138 L HN 0.071 nan 8.230 nan 0.000 0.432 139 K N -0.006 120.386 120.400 -0.014 0.000 2.097 139 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 139 K C 1.962 178.553 176.600 -0.015 0.000 1.049 139 K CA 1.416 57.694 56.287 -0.015 0.000 0.933 139 K CB -0.044 32.450 32.500 -0.011 0.000 0.717 139 K HN 0.411 nan 8.250 nan 0.000 0.442 140 E N 0.378 120.573 120.200 -0.009 0.000 2.107 140 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 140 E C 1.928 178.517 176.600 -0.018 0.000 0.982 140 E CA 1.063 57.459 56.400 -0.008 0.000 0.809 140 E CB -0.022 29.679 29.700 0.002 0.000 0.756 140 E HN 0.286 nan 8.360 nan 0.000 0.459 141 M N 0.665 120.252 119.600 -0.023 0.000 2.394 141 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 141 M C 1.502 177.762 176.300 -0.065 0.000 1.073 141 M CA 0.908 56.182 55.300 -0.042 0.000 1.111 141 M CB -0.006 32.565 32.600 -0.049 0.000 1.401 141 M HN -0.055 nan 8.290 nan 0.000 0.448 142 D N 0.834 121.199 120.400 -0.058 0.000 2.264 142 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 142 D C 1.226 177.485 176.300 -0.068 0.000 0.966 142 D CA 0.887 54.846 54.000 -0.069 0.000 0.864 142 D CB 0.033 40.806 40.800 -0.044 0.000 0.933 142 D HN 0.214 nan 8.370 nan 0.000 0.499 143 N N 0.354 119.024 118.700 -0.051 0.000 2.268 143 N HA -0.027 4.713 4.740 -0.000 0.000 0.204 143 N C -0.510 174.969 175.510 -0.053 0.000 1.124 143 N CA 0.162 53.186 53.050 -0.044 0.000 0.838 143 N CB 0.520 38.994 38.487 -0.022 0.000 0.994 143 N HN 0.155 nan 8.380 nan 0.000 0.489 144 D N 1.023 121.379 120.400 -0.074 0.000 2.622 144 D HA 0.136 4.776 4.640 -0.000 0.000 0.262 144 D C 1.482 177.696 176.300 -0.143 0.000 1.189 144 D CA -0.390 53.564 54.000 -0.076 0.000 0.985 144 D CB 0.261 41.028 40.800 -0.055 0.000 0.994 144 D HN -0.245 nan 8.370 nan 0.000 0.513 145 M N 0.471 119.942 119.600 -0.214 0.000 2.164 145 M HA -0.222 4.258 4.480 -0.000 0.000 0.251 145 M C 1.729 177.735 176.300 -0.491 0.000 1.087 145 M CA 1.613 56.645 55.300 -0.447 0.000 1.071 145 M CB -1.707 30.436 32.600 -0.762 0.000 1.347 145 M HN 0.291 nan 8.290 nan 0.000 0.399 146 T N 0.227 114.621 114.554 -0.267 0.000 2.788 146 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 146 T C 1.745 176.466 174.700 0.036 0.000 1.044 146 T CA 1.399 63.503 62.100 0.006 0.000 1.139 146 T CB -0.216 68.756 68.868 0.173 0.000 0.867 146 T HN 0.382 nan 8.240 nan 0.000 0.454 147 N N 0.532 119.201 118.700 -0.051 0.000 2.395 147 N HA 0.077 4.817 4.740 -0.000 0.000 0.175 147 N C 1.908 177.350 175.510 -0.113 0.000 1.029 147 N CA 0.356 53.374 53.050 -0.052 0.000 0.897 147 N CB -0.053 38.374 38.487 -0.100 0.000 0.991 147 N HN 0.188 nan 8.380 nan 0.000 0.441 148 V N 1.163 120.952 119.914 -0.209 0.000 2.407 148 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 148 V C 2.154 177.973 176.094 -0.459 0.000 1.055 148 V CA 1.624 63.692 62.300 -0.387 0.000 1.049 148 V CB -0.676 30.905 31.823 -0.403 0.000 0.662 148 V HN 0.311 nan 8.190 nan 0.000 0.455 149 T N -0.180 114.229 114.554 -0.242 0.000 2.701 149 T HA -0.123 4.227 4.350 -0.000 0.000 0.263 149 T C 1.673 176.313 174.700 -0.101 0.000 1.040 149 T CA 1.593 63.606 62.100 -0.145 0.000 1.147 149 T CB -0.374 68.436 68.868 -0.097 0.000 0.865 149 T HN 0.358 nan 8.240 nan 0.000 0.426 150 F N 1.850 121.727 119.950 -0.122 0.000 2.202 150 F HA -0.099 4.428 4.527 -0.000 0.000 0.301 150 F C 2.306 178.148 175.800 0.071 0.000 1.082 150 F CA 0.937 58.916 58.000 -0.037 0.000 1.313 150 F CB -0.421 38.504 39.000 -0.125 0.000 1.024 150 F HN 0.107 nan 8.300 nan 0.000 0.495 151 D N -0.797 119.668 120.400 0.108 0.000 2.078 151 D HA -0.217 4.423 4.640 -0.000 0.000 0.193 151 D C 2.344 178.774 176.300 0.217 0.000 0.990 151 D CA 1.505 55.543 54.000 0.063 0.000 0.827 151 D CB -0.854 39.900 40.800 -0.076 0.000 0.975 151 D HN 0.337 nan 8.370 nan 0.000 0.451 152 Y N 0.303 120.634 120.300 0.052 0.000 2.151 152 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 152 Y C 2.445 178.374 175.900 0.048 0.000 1.166 152 Y CA -0.078 58.042 58.100 0.032 0.000 1.163 152 Y CB -0.159 38.298 38.460 -0.006 0.000 0.974 152 Y HN -0.010 nan 8.280 nan 0.000 0.511 153 L N 0.228 121.579 121.223 0.214 0.000 1.971 153 L HA -0.296 4.044 4.340 -0.000 0.000 0.215 153 L C 2.008 178.977 176.870 0.166 0.000 1.072 153 L CA 2.105 57.014 54.840 0.116 0.000 0.758 153 L CB -1.007 41.060 42.059 0.014 0.000 0.889 153 L HN 0.147 nan 8.230 nan 0.000 0.433 154 H N -0.326 118.853 119.070 0.183 0.000 2.319 154 H HA -0.042 4.514 4.556 -0.000 0.000 0.299 154 H C 2.219 177.673 175.328 0.211 0.000 1.092 154 H CA 1.723 57.944 56.048 0.288 0.000 1.302 154 H CB -0.714 29.220 29.762 0.286 0.000 1.373 154 H HN 0.526 nan 8.280 nan 0.000 0.497 155 A N -0.728 122.272 122.820 0.300 0.000 1.971 155 A HA -0.296 4.023 4.320 -0.000 0.000 0.222 155 A C 2.433 180.067 177.584 0.082 0.000 1.182 155 A CA 2.660 54.806 52.037 0.180 0.000 0.649 155 A CB -0.946 18.162 19.000 0.181 0.000 0.818 155 A HN 0.522 nan 8.150 nan 0.000 0.458 156 T N -2.566 112.006 114.554 0.030 0.000 3.038 156 T HA 0.388 4.738 4.350 -0.000 0.000 0.244 156 T C 1.920 176.499 174.700 -0.202 0.000 1.016 156 T CA 1.121 63.172 62.100 -0.083 0.000 1.098 156 T CB -0.304 68.500 68.868 -0.107 0.000 0.954 156 T HN 0.532 nan 8.240 nan 0.000 0.469 157 A N 0.079 122.755 122.820 -0.240 0.000 2.019 157 A HA 0.169 4.489 4.320 -0.000 0.000 0.219 157 A C 1.213 178.337 177.584 -0.766 0.000 1.164 157 A CA 1.133 52.817 52.037 -0.588 0.000 0.644 157 A CB -0.592 18.168 19.000 -0.400 0.000 0.805 157 A HN 0.607 nan 8.150 nan 0.000 0.449 158 F N 0.019 119.950 119.950 -0.031 0.000 2.764 158 F HA 0.172 4.699 4.527 -0.000 0.000 0.310 158 F C 0.701 176.492 175.800 -0.014 0.000 1.124 158 F CA -0.614 57.392 58.000 0.010 0.000 1.252 158 F CB 0.073 39.101 39.000 0.047 0.000 1.010 158 F HN 0.321 nan 8.300 nan 0.000 0.518 159 Q N 0.424 120.248 119.800 0.040 0.000 2.394 159 Q HA 0.134 4.474 4.340 -0.000 0.000 0.347 159 Q C 1.211 177.231 176.000 0.033 0.000 1.144 159 Q CA 0.989 56.803 55.803 0.018 0.000 1.050 159 Q CB 0.271 28.975 28.738 -0.057 0.000 1.188 159 Q HN 0.540 nan 8.270 nan 0.000 0.406 160 G N 1.588 110.408 108.800 0.032 0.000 2.168 160 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.263 160 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.263 160 G C 0.205 175.131 174.900 0.043 0.000 0.977 160 G CA 0.674 45.791 45.100 0.027 0.000 0.659 160 G HN 1.306 nan 8.290 nan 0.000 0.533 161 T N -4.377 110.217 114.554 0.067 0.000 2.858 161 T HA 0.835 5.185 4.350 -0.000 0.000 0.285 161 T C 1.556 176.272 174.700 0.026 0.000 1.052 161 T CA 0.553 62.686 62.100 0.054 0.000 1.009 161 T CB 1.451 70.370 68.868 0.086 0.000 1.241 161 T HN 1.337 nan 8.240 nan 0.000 0.542 162 A N 0.075 122.884 122.820 -0.019 0.000 1.902 162 A HA 0.105 4.425 4.320 -0.000 0.000 0.217 162 A C 2.276 179.807 177.584 -0.088 0.000 1.181 162 A CA 1.311 53.315 52.037 -0.054 0.000 0.623 162 A CB -1.252 17.690 19.000 -0.097 0.000 0.818 162 A HN 0.783 nan 8.150 nan 0.000 0.443 163 L N -0.806 120.320 121.223 -0.162 0.000 2.465 163 L HA -0.091 4.249 4.340 -0.000 0.000 0.224 163 L C 2.574 179.442 176.870 -0.003 0.000 1.145 163 L CA 0.554 55.243 54.840 -0.253 0.000 0.834 163 L CB -0.269 41.342 42.059 -0.747 0.000 0.944 163 L HN 0.450 nan 8.230 nan 0.000 0.451 164 A N -0.326 122.553 122.820 0.098 0.000 2.235 164 A HA 0.020 4.340 4.320 -0.000 0.000 0.208 164 A C 0.930 178.577 177.584 0.106 0.000 1.172 164 A CA 0.173 52.314 52.037 0.172 0.000 0.786 164 A CB -0.301 18.790 19.000 0.150 0.000 0.804 164 A HN 0.224 nan 8.150 nan 0.000 0.479 165 R N 0.781 121.310 120.500 0.048 0.000 2.486 165 R HA 0.367 4.707 4.340 -0.000 0.000 0.286 165 R C -0.053 176.243 176.300 -0.007 0.000 0.999 165 R CA 0.032 56.148 56.100 0.026 0.000 0.993 165 R CB 0.886 31.197 30.300 0.018 0.000 1.084 165 R HN 0.387 nan 8.270 nan 0.000 0.487 166 T N -1.691 112.854 114.554 -0.015 0.000 2.918 166 T HA 0.060 4.410 4.350 -0.000 0.000 0.302 166 T C 1.561 176.209 174.700 -0.087 0.000 1.045 166 T CA -0.820 61.240 62.100 -0.066 0.000 1.114 166 T CB 1.037 69.862 68.868 -0.070 0.000 0.965 166 T HN 0.236 nan 8.240 nan 0.000 0.540 167 V N 1.975 121.809 119.914 -0.133 0.000 2.427 167 V HA -0.093 4.027 4.120 -0.000 0.000 0.248 167 V C 2.552 178.497 176.094 -0.250 0.000 1.051 167 V CA 1.785 64.004 62.300 -0.135 0.000 1.048 167 V CB -0.916 30.827 31.823 -0.133 0.000 0.666 167 V HN 0.860 nan 8.190 nan 0.000 0.456 168 E N 0.106 120.064 120.200 -0.402 0.000 2.107 168 E HA 0.292 4.642 4.350 -0.000 0.000 0.191 168 E C 1.125 177.631 176.600 -0.157 0.000 0.982 168 E CA 0.884 56.947 56.400 -0.562 0.000 0.809 168 E CB -0.177 29.186 29.700 -0.562 0.000 0.756 168 E HN 0.648 nan 8.360 nan 0.000 0.459 169 G N -0.713 108.033 108.800 -0.089 0.000 2.541 169 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 169 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 169 G C -0.150 174.753 174.900 0.005 0.000 1.286 169 G CA -0.598 44.498 45.100 -0.007 0.000 0.894 169 G HN 0.056 nan 8.290 nan 0.000 0.575 170 T N 0.112 114.682 114.554 0.027 0.000 2.813 170 T HA 0.451 4.801 4.350 -0.000 0.000 0.297 170 T C 1.850 176.566 174.700 0.025 0.000 1.036 170 T CA 0.704 62.821 62.100 0.029 0.000 1.044 170 T CB 1.093 69.985 68.868 0.040 0.000 0.993 170 T HN 0.740 nan 8.240 nan 0.000 0.535 171 T N 1.102 115.666 114.554 0.017 0.000 2.770 171 T HA -0.069 4.281 4.350 -0.000 0.000 0.263 171 T C 2.058 176.751 174.700 -0.012 0.000 1.039 171 T CA 0.793 62.894 62.100 0.001 0.000 1.142 171 T CB -0.092 68.775 68.868 -0.001 0.000 0.868 171 T HN 0.486 nan 8.240 nan 0.000 0.435 172 E N 1.571 121.778 120.200 0.011 0.000 2.012 172 E HA -0.126 4.224 4.350 -0.000 0.000 0.197 172 E C 2.239 178.851 176.600 0.021 0.000 1.007 172 E CA 1.142 57.556 56.400 0.023 0.000 0.816 172 E CB -0.715 29.051 29.700 0.110 0.000 0.762 172 E HN 0.305 nan 8.360 nan 0.000 0.451 173 N N 0.723 119.461 118.700 0.064 0.000 2.111 173 N HA -0.193 4.547 4.740 -0.000 0.000 0.197 173 N C 1.879 177.427 175.510 0.063 0.000 1.011 173 N CA 1.171 54.264 53.050 0.071 0.000 0.880 173 N CB -0.339 38.190 38.487 0.069 0.000 1.031 173 N HN 0.191 nan 8.380 nan 0.000 0.444 174 I N 0.043 120.655 120.570 0.071 0.000 2.617 174 I HA -0.139 4.031 4.170 -0.000 0.000 0.256 174 I C 1.671 177.838 176.117 0.083 0.000 1.167 174 I CA 0.736 62.132 61.300 0.160 0.000 1.469 174 I CB 0.025 38.107 38.000 0.136 0.000 1.098 174 I HN 0.123 nan 8.210 nan 0.000 0.436 175 K N -0.353 119.981 120.400 -0.110 0.000 2.217 175 K HA -0.071 4.249 4.320 -0.000 0.000 0.202 175 K C 1.406 177.760 176.600 -0.409 0.000 1.051 175 K CA 0.865 56.969 56.287 -0.305 0.000 0.952 175 K CB 0.103 32.284 32.500 -0.531 0.000 0.736 175 K HN 0.399 nan 8.250 nan 0.000 0.453 176 H N -0.660 118.417 119.070 0.011 0.000 3.046 176 H HA 0.193 4.749 4.556 -0.000 0.000 0.262 176 H C 0.463 175.746 175.328 -0.076 0.000 1.044 176 H CA -0.308 55.726 56.048 -0.024 0.000 1.209 176 H CB 0.289 30.042 29.762 -0.015 0.000 1.507 176 H HN 0.002 nan 8.280 nan 0.000 0.507 177 L N 1.924 123.126 121.223 -0.035 0.000 2.536 177 L HA -0.057 4.283 4.340 -0.000 0.000 0.294 177 L C 0.370 177.102 176.870 -0.229 0.000 1.257 177 L CA 1.014 55.755 54.840 -0.166 0.000 0.850 177 L CB 0.384 42.247 42.059 -0.327 0.000 1.105 177 L HN 0.084 nan 8.230 nan 0.000 0.517 178 T N 2.448 116.883 114.554 -0.198 0.000 2.908 178 T HA 0.225 4.575 4.350 -0.000 0.000 0.290 178 T C 0.858 175.452 174.700 -0.176 0.000 1.034 178 T CA -0.733 61.268 62.100 -0.165 0.000 1.010 178 T CB 2.154 70.970 68.868 -0.086 0.000 1.068 178 T HN 0.529 nan 8.240 nan 0.000 0.481 179 R N 1.371 121.786 120.500 -0.141 0.000 2.178 179 R HA -0.224 4.115 4.340 -0.000 0.000 0.257 179 R C 2.057 178.302 176.300 -0.091 0.000 1.163 179 R CA 2.244 58.277 56.100 -0.111 0.000 0.981 179 R CB -0.927 29.331 30.300 -0.069 0.000 0.878 179 R HN 0.759 nan 8.270 nan 0.000 0.454 180 A N 0.964 123.738 122.820 -0.076 0.000 1.835 180 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 180 A C 1.794 179.345 177.584 -0.055 0.000 1.199 180 A CA 1.976 53.979 52.037 -0.057 0.000 0.615 180 A CB -0.789 18.184 19.000 -0.045 0.000 0.838 180 A HN 0.424 nan 8.150 nan 0.000 0.444 181 D N 0.228 120.591 120.400 -0.063 0.000 2.149 181 D HA -0.180 4.460 4.640 -0.000 0.000 0.194 181 D C 1.824 178.106 176.300 -0.029 0.000 1.001 181 D CA 1.483 55.459 54.000 -0.041 0.000 0.849 181 D CB -0.311 40.456 40.800 -0.055 0.000 0.939 181 D HN 0.453 nan 8.370 nan 0.000 0.449 182 L N 0.447 121.613 121.223 -0.094 0.000 2.005 182 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 182 L C 2.583 179.430 176.870 -0.038 0.000 1.072 182 L CA 1.124 55.908 54.840 -0.092 0.000 0.744 182 L CB -0.637 41.326 42.059 -0.160 0.000 0.895 182 L HN 0.052 nan 8.230 nan 0.000 0.433 183 A N -0.379 122.410 122.820 -0.053 0.000 1.859 183 A HA -0.312 4.008 4.320 -0.000 0.000 0.217 183 A C 2.557 180.117 177.584 -0.039 0.000 1.198 183 A CA 2.438 54.448 52.037 -0.045 0.000 0.629 183 A CB -1.069 17.905 19.000 -0.044 0.000 0.830 183 A HN 0.391 nan 8.150 nan 0.000 0.446 184 S N -1.923 113.758 115.700 -0.031 0.000 2.372 184 S HA -0.281 4.188 4.470 -0.000 0.000 0.227 184 S C 1.864 176.431 174.600 -0.055 0.000 1.044 184 S CA 2.037 60.212 58.200 -0.043 0.000 1.050 184 S CB -0.644 62.539 63.200 -0.028 0.000 0.901 184 S HN 0.662 nan 8.310 nan 0.000 0.447 185 Y N 1.856 122.085 120.300 -0.118 0.000 2.114 185 Y HA -0.184 4.366 4.550 -0.000 0.000 0.282 185 Y C 1.976 177.740 175.900 -0.226 0.000 1.165 185 Y CA 2.231 60.283 58.100 -0.080 0.000 1.148 185 Y CB -0.382 38.062 38.460 -0.026 0.000 0.972 185 Y HN 0.339 nan 8.280 nan 0.000 0.504 186 I N -0.069 120.450 120.570 -0.085 0.000 2.142 186 I HA -0.323 3.847 4.170 -0.000 0.000 0.240 186 I C 1.860 177.833 176.117 -0.239 0.000 1.078 186 I CA 1.744 62.811 61.300 -0.388 0.000 1.343 186 I CB -0.606 37.248 38.000 -0.244 0.000 1.046 186 I HN 0.235 nan 8.210 nan 0.000 0.405 187 D N 0.454 120.770 120.400 -0.140 0.000 2.310 187 D HA -0.096 4.544 4.640 -0.000 0.000 0.212 187 D C 2.044 178.253 176.300 -0.151 0.000 0.965 187 D CA 1.344 55.287 54.000 -0.096 0.000 0.879 187 D CB 0.075 40.835 40.800 -0.067 0.000 0.921 187 D HN 0.400 nan 8.370 nan 0.000 0.510 188 T N -0.810 113.571 114.554 -0.288 0.000 3.010 188 T HA -0.002 4.348 4.350 -0.000 0.000 0.252 188 T C 1.556 175.932 174.700 -0.539 0.000 1.047 188 T CA 0.552 62.387 62.100 -0.443 0.000 1.140 188 T CB 0.277 68.750 68.868 -0.658 0.000 0.885 188 T HN 0.237 nan 8.240 nan 0.000 0.464 189 H N -0.183 118.705 119.070 -0.303 0.000 2.460 189 H HA 0.299 4.855 4.556 -0.000 0.000 0.297 189 H C 0.371 175.722 175.328 0.039 0.000 1.023 189 H CA -0.127 55.760 56.048 -0.268 0.000 1.321 189 H CB -0.154 29.255 29.762 -0.588 0.000 1.455 189 H HN 0.343 nan 8.280 nan 0.000 0.539 190 F N 3.041 122.993 119.950 0.004 0.000 2.662 190 F HA 0.141 4.668 4.527 -0.000 0.000 0.343 190 F C 0.260 176.057 175.800 -0.005 0.000 1.302 190 F CA -0.010 58.003 58.000 0.022 0.000 1.142 190 F CB -0.165 38.873 39.000 0.062 0.000 1.524 190 F HN -0.202 nan 8.300 nan 0.000 0.668 191 K N 1.059 121.545 120.400 0.145 0.000 2.427 191 K HA 0.473 4.793 4.320 -0.000 0.000 0.252 191 K C 0.561 177.165 176.600 0.007 0.000 0.931 191 K CA -0.606 55.717 56.287 0.059 0.000 0.793 191 K CB 2.073 34.590 32.500 0.028 0.000 1.211 191 K HN 0.367 nan 8.250 nan 0.000 0.426 192 A N 4.509 127.319 122.820 -0.017 0.000 1.935 192 A HA -0.205 4.115 4.320 -0.000 0.000 0.224 192 A C -0.451 177.106 177.584 -0.046 0.000 1.324 192 A CA 2.147 54.149 52.037 -0.059 0.000 0.686 192 A CB -1.568 17.409 19.000 -0.039 0.000 0.837 192 A HN 0.681 nan 8.150 nan 0.000 0.481 193 P HA -0.133 nan 4.420 nan 0.000 0.222 193 P C 0.884 178.183 177.300 -0.002 0.000 1.147 193 P CA 1.320 64.416 63.100 -0.007 0.000 0.790 193 P CB -0.152 31.550 31.700 0.003 0.000 0.780 194 R N -1.599 118.898 120.500 -0.005 0.000 2.393 194 R HA 0.351 4.691 4.340 -0.000 0.000 0.244 194 R C 1.014 177.307 176.300 -0.011 0.000 0.920 194 R CA -0.003 56.097 56.100 -0.000 0.000 1.076 194 R CB 0.058 30.355 30.300 -0.005 0.000 1.119 194 R HN 0.265 nan 8.270 nan 0.000 0.524 195 M N 0.084 119.662 119.600 -0.036 0.000 2.664 195 M HA 0.455 4.935 4.480 -0.000 0.000 0.314 195 M C -0.901 175.370 176.300 -0.048 0.000 1.200 195 M CA -1.078 54.187 55.300 -0.059 0.000 0.916 195 M CB 2.722 35.239 32.600 -0.139 0.000 1.717 195 M HN -0.296 nan 8.290 nan 0.000 0.470 196 V N 2.395 122.307 119.914 -0.003 0.000 2.612 196 V HA 0.344 4.464 4.120 -0.000 0.000 0.301 196 V C -1.307 174.834 176.094 0.078 0.000 1.059 196 V CA -0.695 61.618 62.300 0.022 0.000 0.886 196 V CB 2.280 34.132 31.823 0.048 0.000 1.007 196 V HN 0.646 nan 8.190 nan 0.000 0.426 197 L N 5.292 126.531 121.223 0.026 0.000 2.259 197 L HA 0.837 5.177 4.340 -0.000 0.000 0.288 197 L C 0.321 177.267 176.870 0.127 0.000 1.051 197 L CA 0.362 55.266 54.840 0.107 0.000 0.824 197 L CB 0.691 42.800 42.059 0.084 0.000 1.206 197 L HN 0.804 nan 8.230 nan 0.000 0.429 198 A N 4.205 127.132 122.820 0.180 0.000 2.356 198 A HA 1.017 5.337 4.320 -0.000 0.000 0.323 198 A C -0.839 176.805 177.584 0.099 0.000 1.119 198 A CA 0.038 52.097 52.037 0.037 0.000 0.790 198 A CB 1.559 20.420 19.000 -0.231 0.000 1.273 198 A HN 1.054 nan 8.150 nan 0.000 0.452 199 A N -0.316 122.524 122.820 0.033 0.000 2.612 199 A HA 0.939 5.259 4.320 -0.000 0.000 0.293 199 A C -0.713 176.879 177.584 0.013 0.000 1.075 199 A CA 0.055 52.130 52.037 0.063 0.000 0.680 199 A CB 1.007 20.063 19.000 0.093 0.000 1.279 199 A HN 2.640 nan 8.150 nan 0.000 0.411 200 A N -0.281 122.552 122.820 0.021 0.000 2.547 200 A HA 1.038 5.358 4.320 -0.000 0.000 0.297 200 A C 0.194 177.785 177.584 0.013 0.000 1.056 200 A CA 0.377 52.413 52.037 -0.001 0.000 0.688 200 A CB 0.976 19.957 19.000 -0.032 0.000 1.282 200 A HN 2.898 nan 8.150 nan 0.000 0.400 201 G N 0.019 108.822 108.800 0.005 0.000 2.233 201 G HA2 0.469 4.429 3.960 -0.000 0.000 0.162 201 G HA3 0.469 4.429 3.960 -0.000 0.000 0.162 201 G C 0.389 175.292 174.900 0.005 0.000 1.327 201 G CA 0.121 45.225 45.100 0.006 0.000 1.187 201 G HN 1.892 nan 8.290 nan 0.000 0.479 202 G N 0.641 109.444 108.800 0.005 0.000 3.939 202 G HA2 0.544 4.504 3.960 -0.000 0.000 0.268 202 G HA3 0.544 4.504 3.960 -0.000 0.000 0.268 202 G C 0.016 174.921 174.900 0.008 0.000 1.172 202 G CA -0.049 45.053 45.100 0.004 0.000 1.614 202 G HN 0.604 nan 8.290 nan 0.000 0.639 203 I N 0.102 120.682 120.570 0.016 0.000 2.530 203 I HA 0.307 4.477 4.170 -0.000 0.000 0.297 203 I C 0.119 176.258 176.117 0.036 0.000 1.011 203 I CA -0.865 60.450 61.300 0.024 0.000 1.107 203 I CB 2.323 40.343 38.000 0.033 0.000 1.285 203 I HN 0.113 nan 8.210 nan 0.000 0.436 204 S N 3.235 118.956 115.700 0.034 0.000 2.439 204 S HA 0.117 4.587 4.470 -0.000 0.000 0.282 204 S C 1.032 175.674 174.600 0.069 0.000 1.170 204 S CA -0.210 58.018 58.200 0.047 0.000 1.054 204 S CB 0.159 63.374 63.200 0.025 0.000 0.956 204 S HN 0.678 nan 8.310 nan 0.000 0.490 205 H N 5.040 124.110 119.070 0.001 0.000 2.321 205 H HA -0.155 4.401 4.556 -0.000 0.000 0.295 205 H C 1.952 177.288 175.328 0.013 0.000 1.102 205 H CA 2.727 58.778 56.048 0.005 0.000 1.266 205 H CB 0.042 29.802 29.762 -0.003 0.000 1.363 205 H HN 0.712 nan 8.280 nan 0.000 0.492 206 K N 0.144 120.513 120.400 -0.051 0.000 2.002 206 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 206 K C 2.253 178.803 176.600 -0.084 0.000 1.048 206 K CA 1.745 57.972 56.287 -0.100 0.000 0.930 206 K CB -0.070 32.420 32.500 -0.017 0.000 0.714 206 K HN 0.447 nan 8.250 nan 0.000 0.438 207 E N 0.450 120.628 120.200 -0.036 0.000 2.171 207 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 207 E C 1.984 178.568 176.600 -0.027 0.000 0.997 207 E CA 1.122 57.509 56.400 -0.022 0.000 0.810 207 E CB -0.066 29.631 29.700 -0.005 0.000 0.738 207 E HN 0.207 nan 8.360 nan 0.000 0.467 208 L N 0.336 121.531 121.223 -0.046 0.000 2.007 208 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 208 L C 2.357 179.194 176.870 -0.055 0.000 1.073 208 L CA 1.324 56.144 54.840 -0.032 0.000 0.744 208 L CB -0.797 41.252 42.059 -0.017 0.000 0.898 208 L HN -0.039 nan 8.230 nan 0.000 0.435 209 V N -0.030 119.772 119.914 -0.187 0.000 2.469 209 V HA -0.290 3.830 4.120 -0.000 0.000 0.251 209 V C 2.189 178.248 176.094 -0.058 0.000 1.064 209 V CA 2.355 64.556 62.300 -0.164 0.000 1.066 209 V CB -0.580 31.037 31.823 -0.343 0.000 0.667 209 V HN 0.589 nan 8.190 nan 0.000 0.461 210 D N 0.430 120.797 120.400 -0.055 0.000 2.084 210 D HA -0.084 4.556 4.640 -0.000 0.000 0.196 210 D C 2.171 178.475 176.300 0.006 0.000 0.985 210 D CA 1.739 55.725 54.000 -0.024 0.000 0.826 210 D CB -0.282 40.504 40.800 -0.024 0.000 0.978 210 D HN 0.552 nan 8.370 nan 0.000 0.456 211 A N 0.858 123.694 122.820 0.028 0.000 2.125 211 A HA -0.002 4.318 4.320 -0.000 0.000 0.219 211 A C 2.182 179.849 177.584 0.138 0.000 1.156 211 A CA 1.814 53.902 52.037 0.086 0.000 0.671 211 A CB -0.327 18.720 19.000 0.078 0.000 0.794 211 A HN 0.244 nan 8.150 nan 0.000 0.459 212 A N 0.009 122.900 122.820 0.117 0.000 1.840 212 A HA -0.071 4.249 4.320 -0.000 0.000 0.214 212 A C 2.165 179.860 177.584 0.184 0.000 1.198 212 A CA 1.312 53.482 52.037 0.222 0.000 0.608 212 A CB -0.471 18.658 19.000 0.215 0.000 0.839 212 A HN 0.469 nan 8.150 nan 0.000 0.443 213 R N -0.739 119.817 120.500 0.094 0.000 2.139 213 R HA -0.201 4.139 4.340 -0.000 0.000 0.243 213 R C 2.456 178.752 176.300 -0.005 0.000 1.145 213 R CA 1.774 57.905 56.100 0.052 0.000 0.976 213 R CB -0.243 30.065 30.300 0.014 0.000 0.866 213 R HN 0.754 nan 8.270 nan 0.000 0.449 214 Q N -0.949 118.813 119.800 -0.063 0.000 2.083 214 Q HA -0.153 4.187 4.340 -0.000 0.000 0.198 214 Q C 0.971 176.732 176.000 -0.398 0.000 0.969 214 Q CA 1.599 57.258 55.803 -0.240 0.000 0.838 214 Q CB 0.228 28.774 28.738 -0.319 0.000 0.900 214 Q HN 0.545 nan 8.270 nan 0.000 0.436 215 H N -2.580 116.402 119.070 -0.146 0.000 2.750 215 H HA 0.176 4.732 4.556 -0.000 0.000 0.263 215 H C -0.490 174.659 175.328 -0.299 0.000 0.964 215 H CA -0.051 55.839 56.048 -0.264 0.000 1.205 215 H CB 0.597 30.108 29.762 -0.418 0.000 1.454 215 H HN 0.033 nan 8.280 nan 0.000 0.503 216 F N 1.975 121.985 119.950 0.101 0.000 2.359 216 F HA 0.177 4.704 4.527 -0.000 0.000 0.355 216 F C 1.019 176.832 175.800 0.022 0.000 1.132 216 F CA -0.657 57.380 58.000 0.060 0.000 1.246 216 F CB 0.682 39.715 39.000 0.055 0.000 1.569 216 F HN 0.184 nan 8.300 nan 0.000 0.561 217 S N 1.320 117.107 115.700 0.146 0.000 2.356 217 S HA 0.241 4.711 4.470 -0.000 0.000 0.179 217 S C 1.544 176.175 174.600 0.052 0.000 0.940 217 S CA 0.333 58.574 58.200 0.067 0.000 0.955 217 S CB -0.997 62.215 63.200 0.019 0.000 0.861 217 S HN 0.625 nan 8.310 nan 0.000 0.527 218 G N 2.303 111.127 108.800 0.039 0.000 2.167 218 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.233 218 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.233 218 G C -0.142 174.738 174.900 -0.034 0.000 0.493 218 G CA 0.346 45.456 45.100 0.017 0.000 1.034 218 G HN 0.674 nan 8.290 nan 0.000 0.410 219 V N 2.838 122.684 119.914 -0.114 0.000 2.546 219 V HA 0.445 4.565 4.120 -0.000 0.000 0.284 219 V C 1.030 176.923 176.094 -0.334 0.000 1.050 219 V CA -0.011 62.173 62.300 -0.193 0.000 0.981 219 V CB 1.580 33.268 31.823 -0.225 0.000 0.990 219 V HN 0.972 nan 8.190 nan 0.000 0.474 220 S N 3.634 119.193 115.700 -0.234 0.000 2.565 220 S HA 0.480 4.950 4.470 -0.000 0.000 0.274 220 S C 0.278 174.723 174.600 -0.259 0.000 1.309 220 S CA -0.399 57.694 58.200 -0.179 0.000 1.043 220 S CB 0.770 63.939 63.200 -0.052 0.000 0.939 220 S HN 0.434 nan 8.310 nan 0.000 0.504 221 F N 1.053 121.017 119.950 0.023 0.000 2.298 221 F HA 0.128 4.655 4.527 -0.000 0.000 0.282 221 F C 1.991 177.823 175.800 0.054 0.000 1.045 221 F CA 0.504 58.524 58.000 0.034 0.000 1.280 221 F CB -0.802 38.215 39.000 0.028 0.000 1.114 221 F HN 0.659 nan 8.300 nan 0.000 0.546 222 T N -1.489 113.224 114.554 0.265 0.000 2.788 222 T HA 0.036 4.386 4.350 -0.000 0.000 0.287 222 T C 0.786 175.588 174.700 0.171 0.000 1.007 222 T CA -0.211 62.017 62.100 0.213 0.000 1.005 222 T CB 0.448 69.397 68.868 0.134 0.000 1.012 222 T HN 0.446 nan 8.240 nan 0.000 0.530 223 Y N -0.116 120.217 120.300 0.055 0.000 2.373 223 Y HA 0.202 4.751 4.550 -0.000 0.000 0.293 223 Y C 2.342 178.264 175.900 0.037 0.000 1.129 223 Y CA 0.393 58.517 58.100 0.040 0.000 1.226 223 Y CB -0.444 38.037 38.460 0.034 0.000 1.000 223 Y HN 0.491 nan 8.280 nan 0.000 0.549 224 K N 1.006 120.911 120.400 -0.825 0.000 2.063 224 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 224 K C 1.807 178.267 176.600 -0.234 0.000 1.048 224 K CA 2.002 57.914 56.287 -0.625 0.000 0.928 224 K CB -0.210 31.952 32.500 -0.563 0.000 0.713 224 K HN 0.535 nan 8.250 nan 0.000 0.442 225 E N 0.709 120.826 120.200 -0.138 0.000 2.267 225 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 225 E C 0.945 177.526 176.600 -0.032 0.000 0.998 225 E CA 1.192 57.558 56.400 -0.056 0.000 0.830 225 E CB -0.015 29.680 29.700 -0.009 0.000 0.751 225 E HN 0.442 nan 8.360 nan 0.000 0.491 226 D N -0.512 119.877 120.400 -0.019 0.000 2.538 226 D HA 0.156 4.796 4.640 -0.000 0.000 0.231 226 D C -0.416 175.895 176.300 0.018 0.000 1.229 226 D CA -0.254 53.749 54.000 0.004 0.000 0.828 226 D CB 0.339 41.147 40.800 0.014 0.000 1.035 226 D HN -0.027 nan 8.370 nan 0.000 0.495 227 A N 0.516 123.342 122.820 0.009 0.000 2.318 227 A HA 0.511 4.831 4.320 -0.000 0.000 0.324 227 A C -0.481 177.118 177.584 0.025 0.000 1.170 227 A CA -0.809 51.246 52.037 0.030 0.000 0.810 227 A CB 1.989 21.015 19.000 0.043 0.000 1.198 227 A HN 0.152 nan 8.150 nan 0.000 0.484 228 V N 5.553 125.493 119.914 0.043 0.000 2.427 228 V HA 0.391 4.511 4.120 -0.000 0.000 0.268 228 V C -1.755 174.384 176.094 0.076 0.000 1.046 228 V CA -1.568 60.766 62.300 0.057 0.000 0.970 228 V CB 0.739 32.602 31.823 0.066 0.000 1.001 228 V HN 0.847 nan 8.190 nan 0.000 0.476 229 P HA 0.250 nan 4.420 nan 0.000 0.271 229 P C -0.374 177.003 177.300 0.129 0.000 1.226 229 P CA -0.039 63.120 63.100 0.099 0.000 0.765 229 P CB 0.696 32.457 31.700 0.102 0.000 0.835 230 I N 3.524 124.152 120.570 0.096 0.000 2.441 230 I HA 0.128 4.298 4.170 -0.000 0.000 0.287 230 I C 0.934 177.090 176.117 0.064 0.000 1.049 230 I CA -0.727 60.624 61.300 0.085 0.000 1.381 230 I CB 0.530 38.572 38.000 0.069 0.000 1.409 230 I HN 0.183 nan 8.210 nan 0.000 0.523 231 L N 8.085 129.328 121.223 0.033 0.000 2.395 231 L HA 0.339 4.679 4.340 -0.000 0.000 0.269 231 L C -1.749 175.111 176.870 -0.016 0.000 1.133 231 L CA -1.672 53.153 54.840 -0.025 0.000 0.812 231 L CB 0.068 42.039 42.059 -0.146 0.000 1.125 231 L HN 0.440 nan 8.230 nan 0.000 0.452 232 P HA 0.085 nan 4.420 nan 0.000 0.271 232 P C -0.662 176.630 177.300 -0.014 0.000 1.216 232 P CA -0.503 62.595 63.100 -0.002 0.000 0.776 232 P CB 0.736 32.437 31.700 0.003 0.000 0.881 233 R N 1.996 122.501 120.500 0.009 0.000 2.734 233 R HA 0.166 4.506 4.340 -0.000 0.000 0.266 233 R C -0.782 175.534 176.300 0.026 0.000 1.044 233 R CA 0.013 56.124 56.100 0.018 0.000 1.128 233 R CB 0.074 30.401 30.300 0.044 0.000 1.010 233 R HN 0.503 nan 8.270 nan 0.000 0.461 234 C N 4.254 123.577 119.300 0.038 0.000 2.281 234 C HA 0.378 4.838 4.460 -0.000 0.000 0.325 234 C C 0.162 175.308 174.990 0.259 0.000 1.282 234 C CA -0.627 58.452 59.018 0.101 0.000 1.640 234 C CB 0.451 28.160 27.740 -0.052 0.000 2.288 234 C HN 0.795 nan 8.230 nan 0.000 0.507 235 R N 3.076 123.718 120.500 0.237 0.000 2.265 235 R HA 0.348 4.688 4.340 -0.000 0.000 0.314 235 R C -0.694 175.755 176.300 0.247 0.000 1.053 235 R CA -0.284 55.948 56.100 0.219 0.000 0.931 235 R CB 0.442 30.811 30.300 0.115 0.000 1.024 235 R HN 0.661 nan 8.270 nan 0.000 0.457 236 F N 2.642 122.619 119.950 0.044 0.000 2.410 236 F HA 0.281 4.807 4.527 -0.000 0.000 0.334 236 F C -0.508 175.231 175.800 -0.103 0.000 1.134 236 F CA 0.554 58.467 58.000 -0.144 0.000 1.227 236 F CB 1.515 40.435 39.000 -0.133 0.000 1.194 236 F HN 0.436 nan 8.300 nan 0.000 0.571 237 T N 3.663 117.640 114.554 -0.961 0.000 3.143 237 T HA 0.376 4.726 4.350 -0.000 0.000 0.312 237 T C -0.292 173.965 174.700 -0.737 0.000 0.986 237 T CA -0.487 61.253 62.100 -0.600 0.000 1.024 237 T CB 1.060 69.717 68.868 -0.351 0.000 1.030 237 T HN 0.934 nan 8.240 nan 0.000 0.448 238 G N 2.927 111.494 108.800 -0.388 0.000 2.307 238 G HA2 0.470 4.430 3.960 -0.000 0.000 0.271 238 G HA3 0.470 4.430 3.960 -0.000 0.000 0.271 238 G C 0.084 174.807 174.900 -0.295 0.000 1.191 238 G CA -0.012 44.981 45.100 -0.178 0.000 1.024 238 G HN 0.910 nan 8.290 nan 0.000 0.441 239 S N 1.175 116.711 115.700 -0.274 0.000 2.655 239 S HA 0.722 5.192 4.470 -0.000 0.000 0.266 239 S C -0.966 173.540 174.600 -0.156 0.000 1.149 239 S CA -1.028 56.938 58.200 -0.389 0.000 0.818 239 S CB 1.964 64.968 63.200 -0.327 0.000 1.130 239 S HN 0.923 nan 8.310 nan 0.000 0.476 240 E N -0.099 120.006 120.200 -0.159 0.000 2.393 240 E HA 0.798 5.148 4.350 -0.000 0.000 0.273 240 E C -1.447 175.108 176.600 -0.076 0.000 0.918 240 E CA -1.156 55.232 56.400 -0.021 0.000 0.773 240 E CB 2.218 31.993 29.700 0.125 0.000 1.275 240 E HN 0.795 nan 8.360 nan 0.000 0.451 241 I N 0.899 121.431 120.570 -0.064 0.000 2.534 241 I HA 0.461 4.630 4.170 -0.000 0.000 0.288 241 I C -1.564 174.504 176.117 -0.082 0.000 1.077 241 I CA -0.798 60.432 61.300 -0.117 0.000 1.051 241 I CB 1.435 39.322 38.000 -0.189 0.000 1.234 241 I HN 0.578 nan 8.210 nan 0.000 0.425 242 R N 6.552 127.003 120.500 -0.082 0.000 2.435 242 R HA 0.612 4.952 4.340 -0.000 0.000 0.308 242 R C -0.897 175.378 176.300 -0.042 0.000 0.975 242 R CA -0.753 55.326 56.100 -0.035 0.000 0.867 242 R CB 1.963 32.255 30.300 -0.012 0.000 1.171 242 R HN 0.654 nan 8.270 nan 0.000 0.470 243 A N 4.048 126.868 122.820 0.001 0.000 2.444 243 A HA 0.287 4.607 4.320 -0.000 0.000 0.332 243 A C 0.047 177.666 177.584 0.058 0.000 1.430 243 A CA -0.542 51.516 52.037 0.035 0.000 0.975 243 A CB 0.194 19.299 19.000 0.175 0.000 1.147 243 A HN 0.718 nan 8.150 nan 0.000 0.524 244 R N 1.661 122.180 120.500 0.032 0.000 2.457 244 R HA 0.470 4.810 4.340 -0.000 0.000 0.284 244 R C -1.442 174.880 176.300 0.036 0.000 1.024 244 R CA -0.230 55.891 56.100 0.035 0.000 1.025 244 R CB 0.802 31.116 30.300 0.023 0.000 1.063 244 R HN 0.530 nan 8.270 nan 0.000 0.493 245 D N 2.581 123.004 120.400 0.039 0.000 2.474 245 D HA 0.074 4.714 4.640 -0.000 0.000 0.234 245 D C -0.667 175.654 176.300 0.034 0.000 1.323 245 D CA -0.380 53.640 54.000 0.034 0.000 0.915 245 D CB 0.716 41.539 40.800 0.037 0.000 1.487 245 D HN 0.546 nan 8.370 nan 0.000 0.524 246 D N 1.472 121.889 120.400 0.029 0.000 2.354 246 D HA -0.088 4.552 4.640 -0.000 0.000 0.216 246 D C 1.781 178.098 176.300 0.028 0.000 0.970 246 D CA 0.863 54.881 54.000 0.029 0.000 0.905 246 D CB 0.210 41.024 40.800 0.024 0.000 0.903 246 D HN 0.512 nan 8.370 nan 0.000 0.508 247 A N 0.106 122.942 122.820 0.026 0.000 2.067 247 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 247 A C 1.215 178.814 177.584 0.026 0.000 1.156 247 A CA 0.142 52.194 52.037 0.024 0.000 0.683 247 A CB -0.158 18.855 19.000 0.021 0.000 0.808 247 A HN 0.171 nan 8.150 nan 0.000 0.455 248 L N 0.575 121.817 121.223 0.032 0.000 2.397 248 L HA 0.156 4.496 4.340 -0.000 0.000 0.271 248 L C -0.911 175.981 176.870 0.037 0.000 1.148 248 L CA -1.537 53.324 54.840 0.035 0.000 0.825 248 L CB 0.582 42.668 42.059 0.046 0.000 1.117 248 L HN 0.151 nan 8.230 nan 0.000 0.456 249 P HA -0.079 nan 4.420 nan 0.000 0.219 249 P C 0.130 177.439 177.300 0.015 0.000 1.150 249 P CA 1.079 64.193 63.100 0.023 0.000 0.814 249 P CB 0.238 31.947 31.700 0.015 0.000 0.787 250 V N -4.490 115.434 119.914 0.016 0.000 3.141 250 V HA 0.907 5.027 4.120 -0.000 0.000 0.312 250 V C -0.878 175.260 176.094 0.073 0.000 1.157 250 V CA -1.464 60.835 62.300 -0.001 0.000 1.041 250 V CB 1.414 33.153 31.823 -0.141 0.000 1.071 250 V HN 0.113 nan 8.190 nan 0.000 0.441 251 A N 0.467 123.324 122.820 0.062 0.000 2.340 251 A HA 0.825 5.145 4.320 -0.000 0.000 0.331 251 A C -0.640 176.971 177.584 0.045 0.000 1.140 251 A CA -0.633 51.462 52.037 0.096 0.000 0.801 251 A CB 0.955 20.003 19.000 0.080 0.000 1.234 251 A HN 1.026 nan 8.150 nan 0.000 0.469 252 H N 0.580 119.633 119.070 -0.028 0.000 2.489 252 H HA 0.568 5.124 4.556 -0.000 0.000 0.343 252 H C -1.307 173.904 175.328 -0.195 0.000 1.086 252 H CA -0.350 55.656 56.048 -0.071 0.000 1.198 252 H CB 1.948 31.765 29.762 0.091 0.000 1.490 252 H HN 0.391 nan 8.280 nan 0.000 0.504 253 V N 2.028 121.696 119.914 -0.411 0.000 2.709 253 V HA 0.599 4.719 4.120 -0.000 0.000 0.308 253 V C -0.490 175.370 176.094 -0.390 0.000 1.062 253 V CA -0.781 61.208 62.300 -0.519 0.000 0.901 253 V CB 1.743 32.974 31.823 -0.987 0.000 1.003 253 V HN 0.898 nan 8.190 nan 0.000 0.425 254 A N 4.469 127.149 122.820 -0.233 0.000 2.374 254 A HA 0.944 5.264 4.320 -0.000 0.000 0.305 254 A C -1.594 175.825 177.584 -0.274 0.000 1.053 254 A CA -0.490 51.424 52.037 -0.205 0.000 0.726 254 A CB 1.622 20.463 19.000 -0.265 0.000 1.229 254 A HN 0.842 nan 8.150 nan 0.000 0.431 255 L N 1.813 122.750 121.223 -0.477 0.000 2.408 255 L HA 0.942 5.282 4.340 -0.000 0.000 0.268 255 L C -0.253 176.500 176.870 -0.195 0.000 0.986 255 L CA 0.196 54.775 54.840 -0.434 0.000 0.820 255 L CB 1.930 43.498 42.059 -0.818 0.000 1.303 255 L HN 1.382 nan 8.230 nan 0.000 0.411 256 A N 3.416 126.315 122.820 0.130 0.000 2.604 256 A HA 0.796 5.116 4.320 -0.000 0.000 0.295 256 A C -1.430 176.371 177.584 0.362 0.000 1.067 256 A CA -0.173 52.050 52.037 0.311 0.000 0.683 256 A CB 1.450 20.651 19.000 0.335 0.000 1.281 256 A HN 1.073 nan 8.150 nan 0.000 0.407 257 V N -1.324 118.726 119.914 0.228 0.000 3.096 257 V HA 0.719 4.839 4.120 -0.000 0.000 0.319 257 V C 0.235 176.107 176.094 -0.370 0.000 1.103 257 V CA -0.863 61.439 62.300 0.003 0.000 1.016 257 V CB 1.433 33.235 31.823 -0.035 0.000 1.090 257 V HN 1.004 nan 8.190 nan 0.000 0.449 258 E N 0.658 120.291 120.200 -0.946 0.000 2.360 258 E HA 0.445 4.795 4.350 -0.000 0.000 0.269 258 E C 0.284 176.763 176.600 -0.201 0.000 1.022 258 E CA 0.156 56.037 56.400 -0.864 0.000 0.887 258 E CB 1.067 30.182 29.700 -0.974 0.000 0.990 258 E HN 1.080 nan 8.360 nan 0.000 0.426 259 G N 3.442 112.214 108.800 -0.046 0.000 2.504 259 G HA2 0.223 4.183 3.960 -0.000 0.000 0.288 259 G HA3 0.223 4.183 3.960 -0.000 0.000 0.288 259 G C -1.708 173.232 174.900 0.067 0.000 1.182 259 G CA -0.949 44.163 45.100 0.019 0.000 0.894 259 G HN 0.498 nan 8.290 nan 0.000 0.521 260 P HA 0.140 nan 4.420 nan 0.000 0.221 260 P C 0.781 178.112 177.300 0.051 0.000 1.155 260 P CA 1.238 64.399 63.100 0.102 0.000 0.812 260 P CB 0.429 32.142 31.700 0.022 0.000 0.801 261 G N -0.702 108.074 108.800 -0.040 0.000 2.784 261 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.686 261 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.686 261 G C 0.058 174.967 174.900 0.014 0.000 1.156 261 G CA -0.414 44.663 45.100 -0.039 0.000 0.757 261 G HN 0.011 nan 8.290 nan 0.000 0.642 262 W N 1.129 122.455 121.300 0.044 0.000 2.262 262 W HA -0.258 4.402 4.660 -0.000 0.000 0.349 262 W C 2.977 179.574 176.519 0.131 0.000 1.437 262 W CA 3.124 60.467 57.345 -0.004 0.000 1.392 262 W CB -0.624 28.732 29.460 -0.174 0.000 1.078 262 W HN 1.228 nan 8.180 nan 0.000 0.470 263 A N -0.572 122.483 122.820 0.391 0.000 1.948 263 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 263 A C 1.037 178.795 177.584 0.290 0.000 1.177 263 A CA 1.591 53.834 52.037 0.343 0.000 0.636 263 A CB -0.899 18.241 19.000 0.234 0.000 0.815 263 A HN 0.224 nan 8.150 nan 0.000 0.449 264 D N -0.508 120.023 120.400 0.219 0.000 2.487 264 D HA 0.114 4.754 4.640 -0.000 0.000 0.243 264 D C -1.571 174.830 176.300 0.168 0.000 1.154 264 D CA -1.326 52.771 54.000 0.162 0.000 0.876 264 D CB 1.060 41.928 40.800 0.115 0.000 1.161 264 D HN 0.048 nan 8.370 nan 0.000 0.478 265 P HA -0.090 nan 4.420 nan 0.000 0.217 265 P C 0.750 178.104 177.300 0.090 0.000 1.150 265 P CA 0.624 63.809 63.100 0.141 0.000 0.832 265 P CB 0.335 32.101 31.700 0.111 0.000 0.787 266 D N -0.718 119.704 120.400 0.036 0.000 2.172 266 D HA -0.204 4.436 4.640 -0.000 0.000 0.196 266 D C 1.643 177.865 176.300 -0.129 0.000 0.999 266 D CA 0.903 54.871 54.000 -0.054 0.000 0.856 266 D CB -0.938 39.804 40.800 -0.096 0.000 0.934 266 D HN 0.146 nan 8.370 nan 0.000 0.453 267 N N 0.432 119.065 118.700 -0.111 0.000 2.182 267 N HA -0.151 4.589 4.740 -0.000 0.000 0.192 267 N C 1.945 177.420 175.510 -0.058 0.000 1.007 267 N CA 0.683 53.641 53.050 -0.155 0.000 0.873 267 N CB -0.185 38.296 38.487 -0.009 0.000 0.998 267 N HN 0.155 nan 8.380 nan 0.000 0.436 268 V N 0.612 120.565 119.914 0.064 0.000 2.261 268 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 268 V C 2.501 178.630 176.094 0.059 0.000 1.047 268 V CA 1.253 63.612 62.300 0.098 0.000 1.015 268 V CB -0.613 31.278 31.823 0.113 0.000 0.642 268 V HN 0.053 nan 8.190 nan 0.000 0.446 269 V N -0.245 119.673 119.914 0.008 0.000 2.343 269 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 269 V C 2.377 178.447 176.094 -0.040 0.000 1.051 269 V CA 1.901 64.196 62.300 -0.009 0.000 1.036 269 V CB -0.611 31.192 31.823 -0.033 0.000 0.654 269 V HN 0.430 nan 8.190 nan 0.000 0.451 270 L N -0.757 120.374 121.223 -0.152 0.000 2.043 270 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 270 L C 2.536 179.431 176.870 0.043 0.000 1.075 270 L CA 2.107 56.829 54.840 -0.197 0.000 0.752 270 L CB -0.682 41.119 42.059 -0.430 0.000 0.891 270 L HN 0.448 nan 8.230 nan 0.000 0.432 271 H N -1.781 117.328 119.070 0.066 0.000 2.357 271 H HA -0.148 4.408 4.556 -0.000 0.000 0.301 271 H C 2.263 177.644 175.328 0.088 0.000 1.082 271 H CA 1.287 57.384 56.048 0.082 0.000 1.342 271 H CB 0.058 29.820 29.762 -0.000 0.000 1.389 271 H HN 0.045 nan 8.280 nan 0.000 0.511 272 V N 0.864 120.886 119.914 0.181 0.000 2.392 272 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 272 V C 2.521 178.697 176.094 0.137 0.000 1.059 272 V CA 1.629 64.007 62.300 0.131 0.000 1.051 272 V CB -0.904 30.971 31.823 0.086 0.000 0.658 272 V HN 0.575 nan 8.190 nan 0.000 0.455 273 A N 0.361 123.265 122.820 0.139 0.000 1.841 273 A HA -0.269 4.051 4.320 -0.000 0.000 0.214 273 A C 2.047 179.757 177.584 0.211 0.000 1.195 273 A CA 2.176 54.308 52.037 0.159 0.000 0.611 273 A CB -0.959 18.133 19.000 0.153 0.000 0.835 273 A HN 0.635 nan 8.150 nan 0.000 0.443 274 N N 0.055 118.914 118.700 0.265 0.000 2.334 274 N HA -0.132 4.608 4.740 -0.000 0.000 0.187 274 N C 1.739 177.363 175.510 0.190 0.000 1.016 274 N CA 0.822 54.004 53.050 0.220 0.000 0.879 274 N CB -0.206 38.395 38.487 0.189 0.000 0.965 274 N HN 0.543 nan 8.380 nan 0.000 0.438 275 A N 0.821 123.755 122.820 0.191 0.000 1.969 275 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 275 A C 2.036 179.667 177.584 0.079 0.000 1.169 275 A CA 0.877 53.017 52.037 0.171 0.000 0.635 275 A CB -0.363 18.765 19.000 0.212 0.000 0.810 275 A HN 0.205 nan 8.150 nan 0.000 0.445 276 I N -0.477 120.152 120.570 0.099 0.000 2.193 276 I HA -0.203 3.967 4.170 -0.000 0.000 0.240 276 I C 2.290 178.451 176.117 0.074 0.000 1.084 276 I CA 1.231 62.574 61.300 0.073 0.000 1.365 276 I CB -0.342 37.709 38.000 0.083 0.000 1.064 276 I HN 0.254 nan 8.210 nan 0.000 0.410 277 I N 0.323 120.961 120.570 0.113 0.000 2.252 277 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 277 I C 1.833 178.067 176.117 0.194 0.000 1.102 277 I CA 1.051 62.426 61.300 0.125 0.000 1.385 277 I CB -1.040 37.032 38.000 0.120 0.000 1.064 277 I HN 0.515 nan 8.210 nan 0.000 0.414 278 G N 1.814 110.709 108.800 0.158 0.000 2.583 278 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.292 278 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.292 278 G C 0.157 175.129 174.900 0.120 0.000 1.203 278 G CA 0.582 45.745 45.100 0.105 0.000 0.987 278 G HN 0.651 nan 8.290 nan 0.000 0.554 279 R N -1.939 118.480 120.500 -0.136 0.000 2.716 279 R HA 0.716 5.056 4.340 -0.000 0.000 0.271 279 R C -1.218 174.563 176.300 -0.865 0.000 1.028 279 R CA -1.024 54.699 56.100 -0.629 0.000 0.883 279 R CB 1.341 31.517 30.300 -0.205 0.000 1.250 279 R HN 1.332 nan 8.270 nan 0.000 0.465 280 Y N 0.580 119.968 120.300 -1.520 0.000 2.644 280 Y HA 0.588 5.138 4.550 -0.000 0.000 0.338 280 Y C -1.955 173.237 175.900 -1.180 0.000 1.119 280 Y CA -0.597 56.657 58.100 -1.410 0.000 1.060 280 Y CB 2.662 40.570 38.460 -0.920 0.000 1.294 280 Y HN 0.980 nan 8.280 nan 0.000 0.472 281 D N 1.325 120.283 120.400 -2.403 0.000 2.530 281 D HA 0.174 4.814 4.640 -0.000 0.000 0.193 281 D C -0.443 175.144 176.300 -1.187 0.000 1.243 281 D CA -0.485 52.760 54.000 -1.259 0.000 0.803 281 D CB 0.868 41.335 40.800 -0.556 0.000 1.955 281 D HN 0.648 nan 8.370 nan 0.000 0.529 282 R N 1.157 121.255 120.500 -0.670 0.000 2.477 282 R HA -0.180 4.160 4.340 -0.000 0.000 0.262 282 R C 1.138 177.376 176.300 -0.103 0.000 1.231 282 R CA 2.049 58.008 56.100 -0.235 0.000 1.089 282 R CB -0.540 29.737 30.300 -0.039 0.000 0.846 282 R HN 0.644 nan 8.270 nan 0.000 0.510 283 T N -3.452 111.073 114.554 -0.050 0.000 3.134 283 T HA 0.167 4.517 4.350 -0.000 0.000 0.260 283 T C 0.107 174.906 174.700 0.164 0.000 1.027 283 T CA -0.496 61.645 62.100 0.068 0.000 0.913 283 T CB 0.066 68.972 68.868 0.062 0.000 1.046 283 T HN -0.165 nan 8.240 nan 0.000 0.553 284 F N 2.193 122.011 119.950 -0.220 0.000 2.438 284 F HA 0.601 5.128 4.527 -0.000 0.000 0.356 284 F C 1.649 177.427 175.800 -0.037 0.000 1.099 284 F CA -1.295 56.627 58.000 -0.130 0.000 1.185 284 F CB 0.878 39.782 39.000 -0.159 0.000 1.115 284 F HN 0.180 nan 8.300 nan 0.000 0.526 285 G N 2.023 110.881 108.800 0.097 0.000 2.511 285 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.217 285 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.217 285 G C 1.752 176.721 174.900 0.115 0.000 1.133 285 G CA 0.545 45.696 45.100 0.084 0.000 0.792 285 G HN 0.880 nan 8.290 nan 0.000 0.539 286 G N 0.816 109.702 108.800 0.143 0.000 2.475 286 G HA2 0.174 4.134 3.960 -0.000 0.000 0.220 286 G HA3 0.174 4.134 3.960 -0.000 0.000 0.220 286 G C 1.474 176.465 174.900 0.150 0.000 1.125 286 G CA 0.975 46.168 45.100 0.155 0.000 0.755 286 G HN 1.226 nan 8.290 nan 0.000 0.565 287 G N 0.918 109.820 108.800 0.171 0.000 2.602 287 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.306 287 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.306 287 G C 1.170 176.050 174.900 -0.033 0.000 1.301 287 G CA 1.517 46.673 45.100 0.094 0.000 0.974 287 G HN 1.057 nan 8.290 nan 0.000 0.547 288 K N -0.106 120.178 120.400 -0.194 0.000 2.520 288 K HA -0.098 4.222 4.320 -0.000 0.000 0.197 288 K C 1.696 178.061 176.600 -0.391 0.000 1.044 288 K CA 2.323 58.411 56.287 -0.332 0.000 0.938 288 K CB -0.262 31.983 32.500 -0.426 0.000 0.767 288 K HN 0.742 nan 8.250 nan 0.000 0.481 289 H N 0.032 119.105 119.070 0.006 0.000 2.622 289 H HA 0.277 4.833 4.556 -0.000 0.000 0.269 289 H C 0.094 175.434 175.328 0.020 0.000 0.977 289 H CA -0.720 55.333 56.048 0.007 0.000 1.179 289 H CB 0.307 30.075 29.762 0.010 0.000 1.458 289 H HN -0.041 nan 8.280 nan 0.000 0.531 290 L N 0.772 122.059 121.223 0.107 0.000 2.536 290 L HA -0.143 4.197 4.340 -0.000 0.000 0.294 290 L C 1.157 178.068 176.870 0.068 0.000 1.257 290 L CA 0.176 55.078 54.840 0.104 0.000 0.850 290 L CB 0.546 42.677 42.059 0.120 0.000 1.105 290 L HN 0.273 nan 8.230 nan 0.000 0.517 291 S N -0.198 115.538 115.700 0.060 0.000 2.446 291 S HA -0.083 4.387 4.470 -0.000 0.000 0.225 291 S C 0.905 175.521 174.600 0.027 0.000 1.016 291 S CA 0.394 58.617 58.200 0.039 0.000 0.943 291 S CB 0.070 63.288 63.200 0.030 0.000 0.786 291 S HN 0.688 nan 8.310 nan 0.000 0.508 292 S N 1.820 117.540 115.700 0.034 0.000 2.443 292 S HA 0.166 4.636 4.470 -0.000 0.000 0.284 292 S C 1.176 175.787 174.600 0.018 0.000 1.206 292 S CA -0.567 57.657 58.200 0.040 0.000 1.074 292 S CB 0.225 63.475 63.200 0.084 0.000 0.963 292 S HN 0.302 nan 8.310 nan 0.000 0.501 293 R N 2.860 123.357 120.500 -0.005 0.000 2.113 293 R HA -0.178 4.162 4.340 -0.000 0.000 0.244 293 R C 2.073 178.328 176.300 -0.074 0.000 1.142 293 R CA 1.876 57.951 56.100 -0.041 0.000 0.953 293 R CB -0.608 29.663 30.300 -0.048 0.000 0.860 293 R HN 0.651 nan 8.270 nan 0.000 0.438 294 L N 0.795 121.966 121.223 -0.086 0.000 2.012 294 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 294 L C 2.298 179.124 176.870 -0.073 0.000 1.073 294 L CA 2.098 56.829 54.840 -0.183 0.000 0.748 294 L CB -0.793 41.033 42.059 -0.388 0.000 0.891 294 L HN 0.197 nan 8.230 nan 0.000 0.431 295 A N -0.477 122.403 122.820 0.100 0.000 1.908 295 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 295 A C 2.456 179.879 177.584 -0.268 0.000 1.181 295 A CA 2.149 54.166 52.037 -0.034 0.000 0.627 295 A CB -1.264 17.751 19.000 0.026 0.000 0.818 295 A HN 0.618 nan 8.150 nan 0.000 0.445 296 A N -0.068 122.658 122.820 -0.157 0.000 1.841 296 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 296 A C 2.176 179.620 177.584 -0.234 0.000 1.199 296 A CA 1.634 53.561 52.037 -0.184 0.000 0.621 296 A CB -0.901 18.027 19.000 -0.121 0.000 0.835 296 A HN 0.486 nan 8.150 nan 0.000 0.445 297 L N -0.676 120.441 121.223 -0.177 0.000 2.021 297 L HA -0.308 4.032 4.340 -0.000 0.000 0.215 297 L C 3.108 179.870 176.870 -0.180 0.000 1.074 297 L CA 1.353 56.117 54.840 -0.126 0.000 0.760 297 L CB -0.722 41.309 42.059 -0.047 0.000 0.889 297 L HN 0.491 nan 8.230 nan 0.000 0.433 298 A N -0.458 122.203 122.820 -0.264 0.000 1.948 298 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 298 A C 2.293 179.644 177.584 -0.388 0.000 1.177 298 A CA 2.264 54.095 52.037 -0.344 0.000 0.636 298 A CB -0.793 17.922 19.000 -0.475 0.000 0.815 298 A HN 0.252 nan 8.150 nan 0.000 0.449 299 V N -0.497 119.149 119.914 -0.447 0.000 2.302 299 V HA -0.193 3.927 4.120 -0.000 0.000 0.243 299 V C 2.461 178.389 176.094 -0.276 0.000 1.036 299 V CA 1.926 64.022 62.300 -0.339 0.000 1.020 299 V CB -0.771 30.874 31.823 -0.295 0.000 0.657 299 V HN 0.781 nan 8.190 nan 0.000 0.453 300 E N -0.065 119.924 120.200 -0.351 0.000 2.097 300 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 300 E C 1.653 177.922 176.600 -0.551 0.000 1.000 300 E CA 1.786 57.892 56.400 -0.489 0.000 0.804 300 E CB -0.047 29.246 29.700 -0.678 0.000 0.740 300 E HN 0.730 nan 8.360 nan 0.000 0.454 301 H N -0.340 118.648 119.070 -0.136 0.000 2.505 301 H HA 0.188 4.744 4.556 -0.000 0.000 0.286 301 H C -0.074 175.180 175.328 -0.123 0.000 1.072 301 H CA 0.096 56.072 56.048 -0.120 0.000 1.141 301 H CB 0.744 30.434 29.762 -0.120 0.000 1.550 301 H HN 0.059 nan 8.280 nan 0.000 0.547 302 K N 1.045 121.403 120.400 -0.070 0.000 3.071 302 K HA -0.189 4.131 4.320 -0.000 0.000 0.262 302 K C 1.065 177.616 176.600 -0.080 0.000 0.977 302 K CA 0.142 56.378 56.287 -0.085 0.000 0.721 302 K CB -2.021 30.442 32.500 -0.062 0.000 1.293 302 K HN 0.419 nan 8.250 nan 0.000 0.475 303 L N -1.419 119.744 121.223 -0.101 0.000 2.275 303 L HA -0.108 4.232 4.340 -0.000 0.000 0.215 303 L C 1.493 178.291 176.870 -0.121 0.000 1.119 303 L CA 1.252 56.017 54.840 -0.125 0.000 0.790 303 L CB -0.230 41.720 42.059 -0.182 0.000 0.919 303 L HN 0.648 nan 8.230 nan 0.000 0.443 304 C N -5.384 113.868 119.300 -0.080 0.000 3.216 304 C HA 0.244 4.704 4.460 -0.000 0.000 0.346 304 C C 1.285 176.322 174.990 0.078 0.000 1.384 304 C CA -0.984 58.056 59.018 0.036 0.000 1.208 304 C CB 0.986 28.748 27.740 0.038 0.000 1.483 304 C HN 0.165 nan 8.230 nan 0.000 0.453 305 H N 0.763 119.893 119.070 0.100 0.000 2.525 305 H HA 0.279 4.835 4.556 -0.000 0.000 0.275 305 H C 1.006 176.375 175.328 0.068 0.000 0.984 305 H CA 1.578 57.678 56.048 0.087 0.000 1.264 305 H CB 0.579 30.365 29.762 0.040 0.000 1.432 305 H HN 1.008 nan 8.280 nan 0.000 0.549 306 S N -0.216 115.624 115.700 0.234 0.000 2.688 306 S HA 0.384 4.854 4.470 -0.000 0.000 0.269 306 S C -1.678 173.079 174.600 0.262 0.000 1.060 306 S CA -0.982 57.289 58.200 0.119 0.000 0.844 306 S CB 1.312 64.536 63.200 0.039 0.000 1.095 306 S HN 0.232 nan 8.310 nan 0.000 0.466 307 F N -0.663 119.339 119.950 0.087 0.000 2.725 307 F HA 0.791 5.318 4.527 -0.000 0.000 0.309 307 F C -1.899 174.000 175.800 0.165 0.000 1.132 307 F CA -0.619 57.463 58.000 0.136 0.000 0.957 307 F CB 0.965 40.011 39.000 0.078 0.000 1.286 307 F HN 1.018 nan 8.300 nan 0.000 0.440 308 Q N 1.271 121.459 119.800 0.647 0.000 2.340 308 Q HA 0.660 5.000 4.340 -0.000 0.000 0.276 308 Q C -1.511 174.831 176.000 0.570 0.000 1.048 308 Q CA -0.936 55.166 55.803 0.498 0.000 0.832 308 Q CB 2.585 31.592 28.738 0.447 0.000 1.373 308 Q HN 0.911 nan 8.270 nan 0.000 0.409 309 T N -0.510 114.286 114.554 0.402 0.000 2.934 309 T HA 0.832 5.182 4.350 -0.000 0.000 0.283 309 T C -0.318 174.518 174.700 0.227 0.000 1.005 309 T CA -0.562 61.657 62.100 0.198 0.000 1.041 309 T CB 0.598 69.550 68.868 0.139 0.000 1.042 309 T HN 0.616 nan 8.240 nan 0.000 0.505 310 F N -0.834 119.175 119.950 0.098 0.000 2.668 310 F HA 0.735 5.262 4.527 -0.000 0.000 0.309 310 F C -0.935 174.843 175.800 -0.037 0.000 1.117 310 F CA -1.259 56.796 58.000 0.090 0.000 0.951 310 F CB 1.644 40.762 39.000 0.196 0.000 1.323 310 F HN 0.573 nan 8.300 nan 0.000 0.451 311 N N 1.011 119.909 118.700 0.329 0.000 2.733 311 N HA 0.193 4.933 4.740 -0.000 0.000 0.271 311 N C -1.479 174.109 175.510 0.129 0.000 1.720 311 N CA -0.187 52.977 53.050 0.191 0.000 0.803 311 N CB 0.916 39.387 38.487 -0.026 0.000 1.208 311 N HN 0.721 nan 8.380 nan 0.000 0.498 312 T N 1.213 115.883 114.554 0.193 0.000 2.761 312 T HA 0.156 4.506 4.350 -0.000 0.000 0.287 312 T C 0.072 174.586 174.700 -0.309 0.000 0.931 312 T CA 0.517 62.581 62.100 -0.058 0.000 1.164 312 T CB 0.047 68.918 68.868 0.005 0.000 0.876 312 T HN 0.217 nan 8.240 nan 0.000 0.534 313 S N 2.684 117.975 115.700 -0.681 0.000 2.654 313 S HA 0.721 5.191 4.470 -0.000 0.000 0.283 313 S C -0.892 172.954 174.600 -1.255 0.000 1.180 313 S CA -0.602 56.977 58.200 -1.034 0.000 1.021 313 S CB 0.760 62.947 63.200 -1.688 0.000 1.018 313 S HN 0.623 nan 8.310 nan 0.000 0.532 314 Y N -0.535 119.419 120.300 -0.576 0.000 2.677 314 Y HA 0.223 4.773 4.550 -0.000 0.000 0.334 314 Y C 1.714 177.617 175.900 0.005 0.000 1.154 314 Y CA -0.815 57.190 58.100 -0.159 0.000 1.070 314 Y CB 1.043 39.465 38.460 -0.063 0.000 1.294 314 Y HN 0.728 nan 8.280 nan 0.000 0.475 315 S N -0.079 115.884 115.700 0.437 0.000 2.359 315 S HA -0.239 4.231 4.470 -0.000 0.000 0.222 315 S C 0.902 175.633 174.600 0.217 0.000 1.038 315 S CA 2.128 60.540 58.200 0.354 0.000 1.051 315 S CB -0.354 62.994 63.200 0.247 0.000 0.944 315 S HN 0.864 nan 8.310 nan 0.000 0.433 316 D N -0.605 119.886 120.400 0.152 0.000 2.433 316 D HA 0.262 4.902 4.640 -0.000 0.000 0.211 316 D C 0.703 177.070 176.300 0.112 0.000 1.114 316 D CA 0.242 54.310 54.000 0.114 0.000 0.837 316 D CB 0.619 41.467 40.800 0.080 0.000 0.984 316 D HN 0.452 nan 8.370 nan 0.000 0.505 317 T N -1.685 112.949 114.554 0.133 0.000 2.630 317 T HA 0.612 4.962 4.350 -0.000 0.000 0.300 317 T C -1.248 173.575 174.700 0.205 0.000 1.261 317 T CA 0.134 62.336 62.100 0.171 0.000 1.060 317 T CB 1.414 70.421 68.868 0.231 0.000 1.670 317 T HN 0.304 nan 8.240 nan 0.000 0.473 318 G N -0.147 108.837 108.800 0.307 0.000 2.342 318 G HA2 0.537 4.497 3.960 -0.000 0.000 0.297 318 G HA3 0.537 4.497 3.960 -0.000 0.000 0.297 318 G C -2.414 172.680 174.900 0.323 0.000 1.313 318 G CA -0.651 44.616 45.100 0.279 0.000 0.830 318 G HN 0.764 nan 8.290 nan 0.000 0.506 319 L N 0.454 121.845 121.223 0.279 0.000 2.441 319 L HA 0.506 4.846 4.340 -0.000 0.000 0.270 319 L C -1.533 175.592 176.870 0.426 0.000 0.973 319 L CA -0.529 54.512 54.840 0.335 0.000 0.842 319 L CB 2.133 44.428 42.059 0.393 0.000 1.239 319 L HN 0.540 nan 8.230 nan 0.000 0.406 320 F N 3.390 123.418 119.950 0.130 0.000 2.375 320 F HA 0.782 5.309 4.527 -0.000 0.000 0.361 320 F C 0.276 176.070 175.800 -0.010 0.000 1.117 320 F CA 0.006 58.017 58.000 0.018 0.000 1.037 320 F CB 1.246 40.161 39.000 -0.142 0.000 1.192 320 F HN 0.439 nan 8.300 nan 0.000 0.452 321 G N 4.364 112.715 108.800 -0.749 0.000 2.694 321 G HA2 0.522 4.482 3.960 -0.000 0.000 0.246 321 G HA3 0.522 4.482 3.960 -0.000 0.000 0.246 321 G C -1.758 172.524 174.900 -1.031 0.000 1.205 321 G CA -0.301 44.509 45.100 -0.483 0.000 0.891 321 G HN 0.769 nan 8.290 nan 0.000 0.515 322 F N -1.173 118.402 119.950 -0.625 0.000 2.686 322 F HA 0.831 5.358 4.527 -0.000 0.000 0.311 322 F C -1.148 174.774 175.800 0.203 0.000 1.128 322 F CA -1.239 56.604 58.000 -0.262 0.000 0.946 322 F CB 1.829 40.689 39.000 -0.233 0.000 1.336 322 F HN 0.771 nan 8.300 nan 0.000 0.457 323 H N 1.501 120.904 119.070 0.555 0.000 2.806 323 H HA 0.688 5.244 4.556 -0.000 0.000 0.367 323 H C -2.236 173.383 175.328 0.485 0.000 1.136 323 H CA -0.906 55.361 56.048 0.365 0.000 1.178 323 H CB 2.532 32.533 29.762 0.397 0.000 1.718 323 H HN 0.864 nan 8.280 nan 0.000 0.540 324 F N 1.828 121.580 119.950 -0.329 0.000 2.654 324 F HA 0.572 5.099 4.527 -0.000 0.000 0.308 324 F C -2.222 173.317 175.800 -0.435 0.000 1.108 324 F CA -0.962 56.871 58.000 -0.279 0.000 0.957 324 F CB 0.720 39.710 39.000 -0.016 0.000 1.309 324 F HN 0.150 nan 8.300 nan 0.000 0.446 325 V N 2.327 122.217 119.914 -0.041 0.000 2.459 325 V HA 0.957 5.077 4.120 -0.000 0.000 0.295 325 V C -0.071 176.116 176.094 0.156 0.000 1.029 325 V CA -0.110 62.058 62.300 -0.219 0.000 0.874 325 V CB 0.666 32.242 31.823 -0.413 0.000 0.985 325 V HN 1.328 nan 8.190 nan 0.000 0.438 326 A N 3.293 126.217 122.820 0.173 0.000 2.583 326 A HA 0.745 5.065 4.320 -0.000 0.000 0.289 326 A C -1.310 176.388 177.584 0.191 0.000 1.151 326 A CA -0.770 51.433 52.037 0.277 0.000 0.695 326 A CB 1.347 20.508 19.000 0.269 0.000 1.290 326 A HN 0.668 nan 8.150 nan 0.000 0.419 327 D N 1.304 121.833 120.400 0.214 0.000 2.283 327 D HA 0.308 4.948 4.640 -0.000 0.000 0.248 327 D C -1.379 174.984 176.300 0.105 0.000 1.072 327 D CA -1.061 53.031 54.000 0.152 0.000 0.929 327 D CB 1.135 42.034 40.800 0.164 0.000 1.182 327 D HN 0.241 nan 8.370 nan 0.000 0.433 328 P HA -0.173 nan 4.420 nan 0.000 0.218 328 P C 1.180 178.512 177.300 0.054 0.000 1.152 328 P CA 1.234 64.372 63.100 0.064 0.000 0.857 328 P CB 0.324 32.054 31.700 0.050 0.000 0.787 329 L N -0.706 120.543 121.223 0.045 0.000 2.628 329 L HA 0.131 4.471 4.340 -0.000 0.000 0.229 329 L C 1.694 178.571 176.870 0.012 0.000 1.137 329 L CA 0.643 55.497 54.840 0.023 0.000 0.909 329 L CB -0.406 41.660 42.059 0.013 0.000 1.137 329 L HN 0.080 nan 8.230 nan 0.000 0.470 330 S N -2.226 113.490 115.700 0.027 0.000 2.730 330 S HA 0.256 4.726 4.470 -0.000 0.000 0.244 330 S C 1.328 175.929 174.600 0.002 0.000 1.022 330 S CA -0.419 57.779 58.200 -0.004 0.000 1.014 330 S CB -0.000 63.192 63.200 -0.012 0.000 0.963 330 S HN 0.241 nan 8.310 nan 0.000 0.540 331 I N 1.769 122.377 120.570 0.063 0.000 2.142 331 I HA -0.147 4.023 4.170 -0.000 0.000 0.240 331 I C 2.553 178.720 176.117 0.083 0.000 1.078 331 I CA 1.906 63.292 61.300 0.144 0.000 1.343 331 I CB -0.481 37.625 38.000 0.177 0.000 1.046 331 I HN 0.347 nan 8.210 nan 0.000 0.405 332 D N 1.191 121.616 120.400 0.041 0.000 2.092 332 D HA -0.231 4.409 4.640 -0.000 0.000 0.193 332 D C 1.800 178.096 176.300 -0.007 0.000 0.994 332 D CA 1.630 55.643 54.000 0.022 0.000 0.828 332 D CB -0.035 40.758 40.800 -0.011 0.000 0.963 332 D HN 0.177 nan 8.370 nan 0.000 0.450 333 D N -0.557 119.802 120.400 -0.068 0.000 2.133 333 D HA -0.188 4.452 4.640 -0.000 0.000 0.195 333 D C 1.949 178.195 176.300 -0.090 0.000 0.997 333 D CA 0.856 54.802 54.000 -0.091 0.000 0.840 333 D CB -0.408 40.304 40.800 -0.148 0.000 0.947 333 D HN 0.254 nan 8.370 nan 0.000 0.452 334 M N 0.326 119.802 119.600 -0.207 0.000 2.065 334 M HA -0.184 4.296 4.480 -0.000 0.000 0.259 334 M C 2.103 178.126 176.300 -0.462 0.000 1.071 334 M CA 1.443 56.473 55.300 -0.450 0.000 1.109 334 M CB -0.643 31.508 32.600 -0.749 0.000 1.313 334 M HN 0.020 nan 8.290 nan 0.000 0.408 335 M N -0.313 119.127 119.600 -0.267 0.000 2.082 335 M HA -0.196 4.284 4.480 -0.000 0.000 0.258 335 M C 1.966 178.220 176.300 -0.078 0.000 1.069 335 M CA 1.965 57.244 55.300 -0.035 0.000 1.102 335 M CB -1.070 31.634 32.600 0.174 0.000 1.336 335 M HN 0.429 nan 8.290 nan 0.000 0.404 336 F N 0.197 120.048 119.950 -0.165 0.000 2.065 336 F HA -0.303 4.224 4.527 -0.000 0.000 0.298 336 F C 2.184 177.860 175.800 -0.207 0.000 1.112 336 F CA 2.227 60.130 58.000 -0.161 0.000 1.212 336 F CB -0.953 37.957 39.000 -0.150 0.000 0.975 336 F HN 0.313 nan 8.300 nan 0.000 0.476 337 C N 0.673 119.852 119.300 -0.202 0.000 2.432 337 C HA -0.092 4.368 4.460 -0.000 0.000 0.277 337 C C 3.139 177.842 174.990 -0.479 0.000 1.249 337 C CA 1.038 59.857 59.018 -0.332 0.000 1.725 337 C CB -1.898 25.711 27.740 -0.218 0.000 2.028 337 C HN 0.703 nan 8.230 nan 0.000 0.477 338 A N 0.556 123.031 122.820 -0.575 0.000 1.842 338 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 338 A C 2.061 179.234 177.584 -0.684 0.000 1.206 338 A CA 2.020 53.554 52.037 -0.838 0.000 0.630 338 A CB -0.995 17.318 19.000 -1.145 0.000 0.839 338 A HN 0.744 nan 8.150 nan 0.000 0.447 339 Q N -0.789 118.723 119.800 -0.480 0.000 2.268 339 Q HA -0.186 4.154 4.340 -0.000 0.000 0.210 339 Q C 2.077 177.937 176.000 -0.234 0.000 0.988 339 Q CA 1.158 56.794 55.803 -0.278 0.000 0.883 339 Q CB -0.544 28.086 28.738 -0.180 0.000 0.911 339 Q HN 0.743 nan 8.270 nan 0.000 0.430 340 G N 1.353 109.916 108.800 -0.395 0.000 2.421 340 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 340 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 340 G C 1.283 176.080 174.900 -0.171 0.000 1.171 340 G CA 0.578 45.470 45.100 -0.346 0.000 0.775 340 G HN 0.207 nan 8.290 nan 0.000 0.543 341 E N 0.134 120.216 120.200 -0.197 0.000 2.077 341 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 341 E C 2.181 178.850 176.600 0.115 0.000 0.989 341 E CA 0.664 57.013 56.400 -0.085 0.000 0.800 341 E CB -0.366 29.229 29.700 -0.174 0.000 0.746 341 E HN 0.579 nan 8.360 nan 0.000 0.452 342 W N 0.665 121.918 121.300 -0.079 0.000 2.338 342 W HA -0.106 4.554 4.660 -0.000 0.000 0.304 342 W C 2.193 178.746 176.519 0.057 0.000 1.212 342 W CA 0.838 58.204 57.345 0.036 0.000 1.264 342 W CB -0.638 28.880 29.460 0.096 0.000 1.142 342 W HN 0.095 nan 8.180 nan 0.000 0.512 343 M N -0.458 119.300 119.600 0.262 0.000 2.117 343 M HA -0.155 4.325 4.480 -0.000 0.000 0.262 343 M C 2.006 178.393 176.300 0.145 0.000 1.065 343 M CA 1.470 56.894 55.300 0.207 0.000 1.114 343 M CB -1.530 31.145 32.600 0.125 0.000 1.361 343 M HN 0.039 nan 8.290 nan 0.000 0.408 344 R N 0.032 120.580 120.500 0.080 0.000 2.083 344 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 344 R C 2.302 178.643 176.300 0.068 0.000 1.137 344 R CA 1.212 57.339 56.100 0.046 0.000 0.951 344 R CB -0.580 29.727 30.300 0.011 0.000 0.851 344 R HN 0.347 nan 8.270 nan 0.000 0.434 345 L N 0.016 121.298 121.223 0.099 0.000 1.997 345 L HA -0.334 4.006 4.340 -0.000 0.000 0.216 345 L C 2.688 179.595 176.870 0.061 0.000 1.074 345 L CA 1.533 56.425 54.840 0.086 0.000 0.763 345 L CB -0.681 41.444 42.059 0.111 0.000 0.890 345 L HN 0.390 nan 8.230 nan 0.000 0.434 346 C N -1.189 118.161 119.300 0.083 0.000 2.440 346 C HA -0.109 4.351 4.460 -0.000 0.000 0.278 346 C C 2.846 177.850 174.990 0.023 0.000 1.295 346 C CA 1.317 60.369 59.018 0.057 0.000 1.738 346 C CB -1.168 26.655 27.740 0.138 0.000 1.987 346 C HN 0.719 nan 8.230 nan 0.000 0.492 347 T N -2.237 112.349 114.554 0.053 0.000 2.990 347 T HA 0.072 4.422 4.350 -0.000 0.000 0.249 347 T C 0.859 175.576 174.700 0.029 0.000 1.039 347 T CA 0.976 63.099 62.100 0.039 0.000 1.036 347 T CB -0.148 68.772 68.868 0.088 0.000 0.994 347 T HN 0.498 nan 8.240 nan 0.000 0.489 348 S N 0.562 116.278 115.700 0.026 0.000 2.701 348 S HA 0.334 4.804 4.470 -0.000 0.000 0.228 348 S C -0.143 174.467 174.600 0.015 0.000 0.948 348 S CA -0.611 57.599 58.200 0.015 0.000 1.129 348 S CB -0.036 63.166 63.200 0.003 0.000 1.352 348 S HN 0.230 nan 8.310 nan 0.000 0.446 349 T N 3.298 117.865 114.554 0.021 0.000 2.898 349 T HA 0.429 4.779 4.350 -0.000 0.000 0.301 349 T C 0.242 174.954 174.700 0.019 0.000 1.049 349 T CA 0.405 62.519 62.100 0.024 0.000 1.095 349 T CB 0.849 69.734 68.868 0.029 0.000 0.976 349 T HN 0.512 nan 8.240 nan 0.000 0.539 350 T N 2.619 117.185 114.554 0.020 0.000 2.940 350 T HA 0.263 4.613 4.350 -0.000 0.000 0.288 350 T C 1.234 175.946 174.700 0.021 0.000 1.033 350 T CA -0.932 61.179 62.100 0.017 0.000 1.033 350 T CB 1.601 70.477 68.868 0.014 0.000 1.079 350 T HN 0.477 nan 8.240 nan 0.000 0.496 351 E N 1.212 121.424 120.200 0.019 0.000 2.077 351 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 351 E C 2.333 178.947 176.600 0.023 0.000 0.989 351 E CA 1.085 57.498 56.400 0.021 0.000 0.800 351 E CB -0.356 29.355 29.700 0.019 0.000 0.746 351 E HN 0.557 nan 8.360 nan 0.000 0.452 352 S N 1.453 117.165 115.700 0.020 0.000 2.365 352 S HA -0.195 4.274 4.470 -0.000 0.000 0.225 352 S C 1.853 176.468 174.600 0.025 0.000 1.039 352 S CA 1.301 59.514 58.200 0.020 0.000 1.033 352 S CB -0.256 62.953 63.200 0.016 0.000 0.887 352 S HN 0.347 nan 8.310 nan 0.000 0.447 353 E N 0.749 120.964 120.200 0.026 0.000 2.023 353 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 353 E C 2.477 179.101 176.600 0.040 0.000 1.003 353 E CA 1.687 58.105 56.400 0.031 0.000 0.809 353 E CB -0.617 29.102 29.700 0.031 0.000 0.755 353 E HN 0.562 nan 8.360 nan 0.000 0.449 354 V N 0.319 120.257 119.914 0.041 0.000 2.332 354 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 354 V C 2.350 178.473 176.094 0.049 0.000 1.055 354 V CA 2.218 64.546 62.300 0.048 0.000 1.038 354 V CB -0.709 31.140 31.823 0.043 0.000 0.651 354 V HN 0.154 nan 8.190 nan 0.000 0.450 355 K N 0.412 120.837 120.400 0.040 0.000 2.059 355 K HA -0.295 4.025 4.320 -0.000 0.000 0.212 355 K C 2.581 179.206 176.600 0.043 0.000 1.050 355 K CA 2.370 58.680 56.287 0.038 0.000 0.927 355 K CB -0.309 32.209 32.500 0.030 0.000 0.714 355 K HN 0.579 nan 8.250 nan 0.000 0.447 356 R N 0.033 120.559 120.500 0.044 0.000 2.061 356 R HA -0.109 4.231 4.340 -0.000 0.000 0.230 356 R C 2.264 178.612 176.300 0.081 0.000 1.140 356 R CA 1.371 57.502 56.100 0.052 0.000 0.940 356 R CB -0.472 29.854 30.300 0.043 0.000 0.839 356 R HN 0.283 nan 8.270 nan 0.000 0.429 357 A N 1.590 124.458 122.820 0.080 0.000 1.940 357 A HA -0.284 4.036 4.320 -0.000 0.000 0.221 357 A C 2.059 179.720 177.584 0.128 0.000 1.190 357 A CA 2.209 54.313 52.037 0.111 0.000 0.647 357 A CB -0.507 18.550 19.000 0.094 0.000 0.821 357 A HN 0.440 nan 8.150 nan 0.000 0.457 358 K N -0.490 119.963 120.400 0.088 0.000 1.991 358 K HA -0.172 4.148 4.320 -0.000 0.000 0.212 358 K C 1.850 178.483 176.600 0.055 0.000 1.049 358 K CA 1.589 57.917 56.287 0.070 0.000 0.932 358 K CB -0.335 32.200 32.500 0.059 0.000 0.717 358 K HN 0.478 nan 8.250 nan 0.000 0.441 359 N N 0.488 119.216 118.700 0.046 0.000 2.137 359 N HA -0.208 4.532 4.740 -0.000 0.000 0.190 359 N C 1.772 177.292 175.510 0.017 0.000 1.017 359 N CA 1.483 54.538 53.050 0.008 0.000 0.859 359 N CB -0.584 37.906 38.487 0.004 0.000 1.002 359 N HN 0.351 nan 8.380 nan 0.000 0.428 360 H N 0.170 119.237 119.070 -0.004 0.000 2.387 360 H HA 0.017 4.573 4.556 -0.000 0.000 0.299 360 H C 1.924 177.250 175.328 -0.003 0.000 1.090 360 H CA 1.022 57.070 56.048 0.001 0.000 1.332 360 H CB -0.279 29.497 29.762 0.024 0.000 1.386 360 H HN 0.106 nan 8.280 nan 0.000 0.516 361 L N 0.578 121.799 121.223 -0.003 0.000 2.056 361 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 361 L C 2.256 179.062 176.870 -0.106 0.000 1.078 361 L CA 1.479 56.282 54.840 -0.063 0.000 0.749 361 L CB -0.578 41.487 42.059 0.010 0.000 0.901 361 L HN 0.175 nan 8.230 nan 0.000 0.433 362 R N -0.742 119.725 120.500 -0.056 0.000 2.080 362 R HA -0.142 4.198 4.340 -0.000 0.000 0.236 362 R C 2.185 178.446 176.300 -0.065 0.000 1.137 362 R CA 1.777 57.863 56.100 -0.024 0.000 0.943 362 R CB -0.834 29.456 30.300 -0.017 0.000 0.846 362 R HN 0.406 nan 8.270 nan 0.000 0.431 363 S N 0.919 116.544 115.700 -0.125 0.000 2.402 363 S HA -0.195 4.275 4.470 -0.000 0.000 0.233 363 S C 2.061 176.575 174.600 -0.143 0.000 1.030 363 S CA 1.297 59.416 58.200 -0.134 0.000 1.003 363 S CB -0.242 62.862 63.200 -0.159 0.000 0.813 363 S HN 0.494 nan 8.310 nan 0.000 0.477 364 A N 2.751 125.445 122.820 -0.209 0.000 1.855 364 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 364 A C 2.271 179.790 177.584 -0.107 0.000 1.191 364 A CA 1.813 53.736 52.037 -0.190 0.000 0.613 364 A CB -0.827 18.029 19.000 -0.239 0.000 0.829 364 A HN 0.667 nan 8.150 nan 0.000 0.442 365 M N -1.024 118.516 119.600 -0.100 0.000 2.108 365 M HA -0.088 4.392 4.480 -0.000 0.000 0.261 365 M C 1.830 178.145 176.300 0.025 0.000 1.066 365 M CA 2.192 57.461 55.300 -0.052 0.000 1.107 365 M CB -0.908 31.654 32.600 -0.063 0.000 1.356 365 M HN 0.033 nan 8.290 nan 0.000 0.406 366 V N 1.707 121.641 119.914 0.033 0.000 2.295 366 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 366 V C 3.014 179.122 176.094 0.023 0.000 1.049 366 V CA 2.143 64.476 62.300 0.054 0.000 1.024 366 V CB -1.237 30.627 31.823 0.068 0.000 0.648 366 V HN 0.697 nan 8.190 nan 0.000 0.447 367 A N -1.248 121.568 122.820 -0.006 0.000 2.121 367 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 367 A C 2.075 179.659 177.584 0.001 0.000 1.154 367 A CA 1.142 53.173 52.037 -0.010 0.000 0.679 367 A CB -0.406 18.575 19.000 -0.031 0.000 0.795 367 A HN 0.637 nan 8.150 nan 0.000 0.458 368 Q N -0.781 119.022 119.800 0.006 0.000 2.436 368 Q HA 0.060 4.400 4.340 -0.000 0.000 0.209 368 Q C -0.109 175.906 176.000 0.025 0.000 0.965 368 Q CA 0.537 56.352 55.803 0.020 0.000 0.910 368 Q CB -0.092 28.666 28.738 0.033 0.000 0.980 368 Q HN 0.672 nan 8.270 nan 0.000 0.491 369 L N 0.589 121.825 121.223 0.022 0.000 2.892 369 L HA 0.326 4.666 4.340 -0.000 0.000 0.251 369 L C -0.552 176.324 176.870 0.010 0.000 1.339 369 L CA -0.440 54.406 54.840 0.011 0.000 0.900 369 L CB 0.460 42.526 42.059 0.011 0.000 1.246 369 L HN -0.156 nan 8.230 nan 0.000 0.524 370 D N 1.592 122.000 120.400 0.013 0.000 2.540 370 D HA 0.576 5.216 4.640 -0.000 0.000 0.251 370 D C 0.440 176.751 176.300 0.018 0.000 1.159 370 D CA 0.349 54.358 54.000 0.014 0.000 0.974 370 D CB 0.670 41.477 40.800 0.013 0.000 0.996 370 D HN 0.493 nan 8.370 nan 0.000 0.512 371 G N 0.669 109.478 108.800 0.015 0.000 2.315 371 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.296 371 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.296 371 G C 0.737 175.647 174.900 0.016 0.000 1.289 371 G CA 0.031 45.144 45.100 0.021 0.000 0.996 371 G HN 0.255 nan 8.290 nan 0.000 0.487 372 T N -3.092 111.478 114.554 0.027 0.000 2.953 372 T HA 0.112 4.462 4.350 -0.000 0.000 0.247 372 T C 2.329 177.047 174.700 0.031 0.000 1.029 372 T CA 2.398 64.512 62.100 0.023 0.000 1.144 372 T CB -0.699 68.189 68.868 0.034 0.000 0.870 372 T HN 0.722 nan 8.240 nan 0.000 0.446 373 T N 3.647 118.239 114.554 0.063 0.000 2.635 373 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 373 T C -0.317 174.388 174.700 0.007 0.000 1.040 373 T CA 1.874 64.010 62.100 0.060 0.000 1.156 373 T CB -1.472 67.461 68.868 0.109 0.000 0.863 373 T HN 0.444 nan 8.240 nan 0.000 0.430 374 P HA -0.030 nan 4.420 nan 0.000 0.216 374 P C 1.636 178.911 177.300 -0.041 0.000 1.150 374 P CA 0.921 64.022 63.100 0.003 0.000 0.837 374 P CB -0.271 31.440 31.700 0.018 0.000 0.786 375 V N 0.382 120.264 119.914 -0.053 0.000 2.270 375 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 375 V C 3.053 179.032 176.094 -0.190 0.000 1.043 375 V CA 2.063 64.302 62.300 -0.101 0.000 1.014 375 V CB -1.737 30.039 31.823 -0.077 0.000 0.645 375 V HN 0.220 nan 8.190 nan 0.000 0.447 376 C N 0.495 119.687 119.300 -0.179 0.000 2.403 376 C HA -0.198 4.262 4.460 -0.000 0.000 0.277 376 C C 2.903 177.451 174.990 -0.737 0.000 1.248 376 C CA 1.892 60.713 59.018 -0.329 0.000 1.762 376 C CB -0.793 26.893 27.740 -0.089 0.000 2.014 376 C HN 0.728 nan 8.230 nan 0.000 0.486 377 E N -0.056 119.899 120.200 -0.409 0.000 2.204 377 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 377 E C 1.996 178.377 176.600 -0.365 0.000 0.989 377 E CA 2.052 58.260 56.400 -0.321 0.000 0.824 377 E CB -0.303 29.460 29.700 0.106 0.000 0.756 377 E HN 0.634 nan 8.360 nan 0.000 0.477 378 T N 0.143 114.530 114.554 -0.279 0.000 2.896 378 T HA 0.083 4.433 4.350 -0.000 0.000 0.263 378 T C 1.798 176.281 174.700 -0.361 0.000 1.050 378 T CA 0.943 62.923 62.100 -0.200 0.000 1.140 378 T CB -0.096 68.668 68.868 -0.173 0.000 0.877 378 T HN 0.133 nan 8.240 nan 0.000 0.457 379 I N 1.249 121.547 120.570 -0.454 0.000 2.193 379 I HA -0.034 4.136 4.170 -0.000 0.000 0.240 379 I C 2.918 178.779 176.117 -0.427 0.000 1.084 379 I CA 1.160 62.211 61.300 -0.415 0.000 1.365 379 I CB -0.654 37.131 38.000 -0.359 0.000 1.064 379 I HN 0.294 nan 8.210 nan 0.000 0.410 380 G N -0.241 108.083 108.800 -0.794 0.000 2.462 380 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 380 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 380 G C 1.727 176.369 174.900 -0.429 0.000 1.121 380 G CA 1.144 45.723 45.100 -0.869 0.000 0.758 380 G HN 0.346 nan 8.290 nan 0.000 0.559 381 S N -0.739 114.750 115.700 -0.351 0.000 2.371 381 S HA 0.064 4.534 4.470 -0.000 0.000 0.219 381 S C 1.895 176.439 174.600 -0.094 0.000 1.040 381 S CA 0.166 58.278 58.200 -0.146 0.000 0.958 381 S CB -0.383 62.767 63.200 -0.084 0.000 0.860 381 S HN 0.559 nan 8.310 nan 0.000 0.487 382 H N 1.272 120.261 119.070 -0.135 0.000 2.357 382 H HA -0.089 4.467 4.556 -0.000 0.000 0.296 382 H C 2.003 177.329 175.328 -0.005 0.000 1.108 382 H CA 1.390 57.478 56.048 0.066 0.000 1.273 382 H CB -0.243 29.582 29.762 0.105 0.000 1.367 382 H HN 0.245 nan 8.280 nan 0.000 0.498 383 L N -0.037 121.223 121.223 0.061 0.000 1.988 383 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 383 L C 2.577 179.438 176.870 -0.016 0.000 1.071 383 L CA 0.465 55.314 54.840 0.014 0.000 0.744 383 L CB -0.378 41.668 42.059 -0.021 0.000 0.893 383 L HN 0.194 nan 8.230 nan 0.000 0.433 384 L N 0.195 121.391 121.223 -0.044 0.000 2.129 384 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 384 L C 2.150 178.955 176.870 -0.108 0.000 1.087 384 L CA 1.839 56.655 54.840 -0.041 0.000 0.757 384 L CB -0.912 41.144 42.059 -0.005 0.000 0.896 384 L HN 0.355 nan 8.230 nan 0.000 0.434 385 N N -2.541 115.992 118.700 -0.278 0.000 2.511 385 N HA -0.038 4.702 4.740 -0.000 0.000 0.190 385 N C 1.646 176.950 175.510 -0.343 0.000 1.037 385 N CA 0.909 53.665 53.050 -0.490 0.000 0.895 385 N CB -0.152 37.566 38.487 -1.281 0.000 1.149 385 N HN 0.303 nan 8.380 nan 0.000 0.437 386 Y N 0.313 120.534 120.300 -0.132 0.000 2.510 386 Y HA 0.300 4.850 4.550 -0.000 0.000 0.273 386 Y C 1.736 177.619 175.900 -0.029 0.000 1.119 386 Y CA 0.370 58.435 58.100 -0.058 0.000 1.286 386 Y CB -0.080 38.314 38.460 -0.109 0.000 1.061 386 Y HN 0.174 nan 8.280 nan 0.000 0.542 387 G N 0.741 109.601 108.800 0.100 0.000 2.159 387 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.256 387 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.256 387 G C 0.406 175.336 174.900 0.051 0.000 0.977 387 G CA 0.484 45.621 45.100 0.062 0.000 0.652 387 G HN 0.524 nan 8.290 nan 0.000 0.531 388 R N -2.546 117.997 120.500 0.072 0.000 3.061 388 R HA 0.741 5.081 4.340 -0.000 0.000 0.265 388 R C -1.158 175.169 176.300 0.045 0.000 1.003 388 R CA -1.018 55.095 56.100 0.023 0.000 0.871 388 R CB 0.461 30.753 30.300 -0.013 0.000 1.458 388 R HN 0.313 nan 8.270 nan 0.000 0.431 389 R N 1.094 121.575 120.500 -0.032 0.000 2.445 389 R HA 0.557 4.897 4.340 -0.000 0.000 0.308 389 R C -1.127 175.096 176.300 -0.129 0.000 0.961 389 R CA -0.616 55.453 56.100 -0.052 0.000 0.862 389 R CB 1.127 31.333 30.300 -0.156 0.000 1.144 389 R HN 0.646 nan 8.270 nan 0.000 0.447 390 I N 4.192 124.710 120.570 -0.086 0.000 2.328 390 I HA 0.261 4.431 4.170 -0.000 0.000 0.287 390 I C 0.032 175.868 176.117 -0.468 0.000 1.012 390 I CA -0.758 60.231 61.300 -0.519 0.000 1.195 390 I CB 1.670 38.916 38.000 -1.257 0.000 1.350 390 I HN 0.776 nan 8.210 nan 0.000 0.464 391 S N 5.862 121.349 115.700 -0.356 0.000 2.592 391 S HA 0.360 4.830 4.470 -0.000 0.000 0.271 391 S C 1.189 175.700 174.600 -0.148 0.000 1.326 391 S CA -0.792 57.280 58.200 -0.214 0.000 1.024 391 S CB 1.448 64.552 63.200 -0.161 0.000 0.921 391 S HN 0.599 nan 8.310 nan 0.000 0.527 392 L N 0.818 122.038 121.223 -0.004 0.000 2.089 392 L HA -0.209 4.131 4.340 -0.000 0.000 0.213 392 L C 2.885 179.786 176.870 0.051 0.000 1.079 392 L CA 2.176 57.089 54.840 0.122 0.000 0.758 392 L CB -0.753 41.363 42.059 0.095 0.000 0.891 392 L HN 0.949 nan 8.230 nan 0.000 0.433 393 E N 0.291 120.463 120.200 -0.047 0.000 2.097 393 E HA -0.298 4.052 4.350 -0.000 0.000 0.196 393 E C 2.077 178.653 176.600 -0.040 0.000 1.000 393 E CA 1.736 58.092 56.400 -0.073 0.000 0.804 393 E CB 0.019 29.662 29.700 -0.096 0.000 0.740 393 E HN 0.503 nan 8.360 nan 0.000 0.454 394 E N -0.337 119.818 120.200 -0.076 0.000 2.008 394 E HA -0.156 4.193 4.350 -0.000 0.000 0.191 394 E C 1.863 178.499 176.600 0.059 0.000 0.986 394 E CA 0.930 57.280 56.400 -0.084 0.000 0.807 394 E CB -0.371 29.184 29.700 -0.242 0.000 0.766 394 E HN 0.432 nan 8.360 nan 0.000 0.450 395 W N 1.807 123.096 121.300 -0.018 0.000 2.277 395 W HA -0.319 4.341 4.660 -0.000 0.000 0.327 395 W C 2.357 178.891 176.519 0.025 0.000 1.284 395 W CA 0.896 58.242 57.345 0.002 0.000 1.277 395 W CB -0.379 29.092 29.460 0.019 0.000 1.141 395 W HN 0.327 nan 8.180 nan 0.000 0.482 396 D N -0.297 120.284 120.400 0.301 0.000 2.116 396 D HA -0.227 4.413 4.640 -0.000 0.000 0.193 396 D C 2.133 178.526 176.300 0.155 0.000 0.998 396 D CA 1.997 56.122 54.000 0.208 0.000 0.836 396 D CB -0.389 40.509 40.800 0.163 0.000 0.951 396 D HN 0.095 nan 8.370 nan 0.000 0.449 397 S N -0.324 115.445 115.700 0.116 0.000 2.368 397 S HA -0.128 4.342 4.470 -0.000 0.000 0.225 397 S C 2.087 176.749 174.600 0.102 0.000 1.030 397 S CA 0.928 59.178 58.200 0.084 0.000 0.999 397 S CB -0.061 63.166 63.200 0.045 0.000 0.844 397 S HN 0.261 nan 8.310 nan 0.000 0.459 398 R N 0.059 120.646 120.500 0.144 0.000 2.092 398 R HA 0.096 4.436 4.340 -0.000 0.000 0.231 398 R C 2.221 178.604 176.300 0.138 0.000 1.119 398 R CA 1.553 57.747 56.100 0.156 0.000 0.970 398 R CB -0.321 30.129 30.300 0.249 0.000 0.864 398 R HN 0.468 nan 8.270 nan 0.000 0.440 399 I N -0.041 120.616 120.570 0.145 0.000 2.333 399 I HA -0.181 3.989 4.170 -0.000 0.000 0.246 399 I C 1.890 178.062 176.117 0.091 0.000 1.106 399 I CA 0.980 62.343 61.300 0.105 0.000 1.411 399 I CB -0.071 37.986 38.000 0.095 0.000 1.082 399 I HN 0.049 nan 8.210 nan 0.000 0.420 400 S N 0.889 116.647 115.700 0.098 0.000 2.442 400 S HA -0.097 4.373 4.470 -0.000 0.000 0.236 400 S C 2.057 176.696 174.600 0.066 0.000 1.007 400 S CA 1.182 59.431 58.200 0.083 0.000 0.965 400 S CB -0.209 63.044 63.200 0.087 0.000 0.773 400 S HN 0.528 nan 8.310 nan 0.000 0.504 401 A N 0.911 123.771 122.820 0.066 0.000 2.167 401 A HA 0.240 4.560 4.320 -0.000 0.000 0.214 401 A C 0.869 178.483 177.584 0.049 0.000 1.151 401 A CA 0.107 52.177 52.037 0.054 0.000 0.735 401 A CB -0.158 18.874 19.000 0.054 0.000 0.802 401 A HN 0.266 nan 8.150 nan 0.000 0.467 402 V N 2.768 122.714 119.914 0.054 0.000 2.572 402 V HA 0.258 4.378 4.120 -0.000 0.000 0.291 402 V C -0.136 175.982 176.094 0.041 0.000 1.039 402 V CA -0.180 62.147 62.300 0.046 0.000 1.055 402 V CB 0.827 32.680 31.823 0.050 0.000 0.969 402 V HN 0.668 nan 8.190 nan 0.000 0.482 403 D N 3.605 124.025 120.400 0.033 0.000 2.531 403 D HA 0.530 5.170 4.640 -0.000 0.000 0.244 403 D C 0.665 176.980 176.300 0.025 0.000 1.090 403 D CA -0.048 53.970 54.000 0.029 0.000 0.989 403 D CB 2.256 43.072 40.800 0.026 0.000 1.433 403 D HN 0.429 nan 8.370 nan 0.000 0.492 404 A N 1.245 124.079 122.820 0.024 0.000 1.848 404 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 404 A C 2.060 179.654 177.584 0.015 0.000 1.220 404 A CA 2.220 54.270 52.037 0.021 0.000 0.645 404 A CB -0.870 18.141 19.000 0.019 0.000 0.842 404 A HN 0.678 nan 8.150 nan 0.000 0.451 405 R N -0.704 119.804 120.500 0.012 0.000 2.228 405 R HA -0.239 4.101 4.340 -0.000 0.000 0.259 405 R C 2.057 178.361 176.300 0.006 0.000 1.183 405 R CA 2.336 58.440 56.100 0.008 0.000 1.002 405 R CB -0.570 29.735 30.300 0.008 0.000 0.879 405 R HN 0.730 nan 8.270 nan 0.000 0.467 406 M N -0.810 118.796 119.600 0.011 0.000 2.248 406 M HA -0.094 4.386 4.480 -0.000 0.000 0.265 406 M C 2.043 178.346 176.300 0.004 0.000 1.079 406 M CA 0.963 56.270 55.300 0.010 0.000 1.150 406 M CB 0.166 32.777 32.600 0.018 0.000 1.366 406 M HN -0.077 nan 8.290 nan 0.000 0.433 407 V N 0.928 120.846 119.914 0.008 0.000 2.332 407 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 407 V C 2.360 178.449 176.094 -0.008 0.000 1.055 407 V CA 1.905 64.205 62.300 0.001 0.000 1.038 407 V CB -0.830 31.004 31.823 0.019 0.000 0.651 407 V HN 0.476 nan 8.190 nan 0.000 0.450 408 R N -0.118 120.381 120.500 -0.001 0.000 2.088 408 R HA -0.195 4.145 4.340 -0.000 0.000 0.232 408 R C 2.162 178.451 176.300 -0.018 0.000 1.136 408 R CA 2.071 58.167 56.100 -0.007 0.000 0.926 408 R CB -0.736 29.560 30.300 -0.006 0.000 0.837 408 R HN 0.497 nan 8.270 nan 0.000 0.429 409 D N 0.141 120.532 120.400 -0.016 0.000 2.133 409 D HA -0.164 4.476 4.640 -0.000 0.000 0.192 409 D C 1.979 178.275 176.300 -0.006 0.000 1.001 409 D CA 1.276 55.266 54.000 -0.017 0.000 0.844 409 D CB -0.355 40.440 40.800 -0.009 0.000 0.944 409 D HN 0.039 nan 8.370 nan 0.000 0.447 410 V N 0.542 120.456 119.914 0.001 0.000 2.270 410 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 410 V C 2.760 178.866 176.094 0.020 0.000 1.043 410 V CA 1.455 63.774 62.300 0.031 0.000 1.014 410 V CB -0.539 31.260 31.823 -0.040 0.000 0.645 410 V HN 0.302 nan 8.190 nan 0.000 0.447 411 C N -0.163 119.090 119.300 -0.079 0.000 2.413 411 C HA -0.158 4.302 4.460 -0.000 0.000 0.276 411 C C 3.130 178.081 174.990 -0.064 0.000 1.248 411 C CA 1.408 60.337 59.018 -0.149 0.000 1.742 411 C CB -1.186 26.485 27.740 -0.116 0.000 2.017 411 C HN 0.620 nan 8.230 nan 0.000 0.481 412 S N 0.518 116.207 115.700 -0.017 0.000 2.353 412 S HA -0.251 4.219 4.470 -0.000 0.000 0.222 412 S C 1.897 176.501 174.600 0.007 0.000 1.035 412 S CA 1.728 59.936 58.200 0.013 0.000 1.025 412 S CB -0.425 62.741 63.200 -0.056 0.000 0.902 412 S HN 0.716 nan 8.310 nan 0.000 0.440 413 K N -0.280 120.104 120.400 -0.027 0.000 2.152 413 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 413 K C 1.308 177.739 176.600 -0.281 0.000 1.048 413 K CA 1.454 57.666 56.287 -0.124 0.000 0.933 413 K CB -0.129 32.306 32.500 -0.108 0.000 0.721 413 K HN 0.437 nan 8.250 nan 0.000 0.447 414 Y N -0.898 119.284 120.300 -0.197 0.000 2.498 414 Y HA 0.210 4.760 4.550 -0.000 0.000 0.259 414 Y C 1.590 177.324 175.900 -0.278 0.000 1.086 414 Y CA -0.010 57.930 58.100 -0.267 0.000 1.287 414 Y CB 0.548 38.755 38.460 -0.421 0.000 1.146 414 Y HN -0.044 nan 8.280 nan 0.000 0.523 415 I N -2.571 117.922 120.570 -0.129 0.000 3.136 415 I HA -0.049 4.121 4.170 -0.000 0.000 0.262 415 I C 0.137 176.253 176.117 -0.001 0.000 1.132 415 I CA -0.150 61.044 61.300 -0.176 0.000 1.450 415 I CB -0.132 37.650 38.000 -0.364 0.000 1.315 415 I HN -0.150 nan 8.210 nan 0.000 0.460 416 Y N 4.031 124.309 120.300 -0.036 0.000 2.802 416 Y HA -0.171 4.379 4.550 -0.000 0.000 0.333 416 Y C 0.698 176.631 175.900 0.055 0.000 1.244 416 Y CA 0.575 58.701 58.100 0.043 0.000 1.558 416 Y CB -0.233 38.248 38.460 0.036 0.000 1.233 416 Y HN 0.227 nan 8.280 nan 0.000 0.547 417 D N 2.614 122.822 120.400 -0.319 0.000 2.772 417 D HA -0.220 4.420 4.640 -0.000 0.000 0.233 417 D C -0.997 175.299 176.300 -0.006 0.000 1.143 417 D CA 0.707 54.619 54.000 -0.147 0.000 0.700 417 D CB -0.538 40.170 40.800 -0.154 0.000 1.076 417 D HN 0.313 nan 8.370 nan 0.000 0.430 418 K N -0.145 120.273 120.400 0.030 0.000 2.156 418 K HA 0.475 4.795 4.320 -0.000 0.000 0.254 418 K C -0.061 176.618 176.600 0.131 0.000 0.950 418 K CA -0.590 55.738 56.287 0.069 0.000 0.849 418 K CB 1.488 34.016 32.500 0.046 0.000 1.100 418 K HN 0.150 nan 8.250 nan 0.000 0.434 419 C N 4.626 124.031 119.300 0.175 0.000 2.464 419 C HA 0.293 4.753 4.460 -0.000 0.000 0.370 419 C C -1.489 173.693 174.990 0.321 0.000 1.267 419 C CA -1.143 58.023 59.018 0.246 0.000 1.781 419 C CB -0.370 27.508 27.740 0.231 0.000 2.431 419 C HN 0.524 nan 8.230 nan 0.000 0.556 420 P HA 0.486 nan 4.420 nan 0.000 0.280 420 P C -0.999 176.481 177.300 0.300 0.000 1.272 420 P CA -0.198 63.102 63.100 0.333 0.000 0.819 420 P CB 1.269 33.117 31.700 0.246 0.000 1.122 421 A N 1.535 124.501 122.820 0.244 0.000 2.304 421 A HA 0.652 4.972 4.320 -0.000 0.000 0.323 421 A C -0.670 176.963 177.584 0.081 0.000 1.195 421 A CA -0.538 51.532 52.037 0.056 0.000 0.826 421 A CB 0.140 19.081 19.000 -0.098 0.000 1.184 421 A HN 0.608 nan 8.150 nan 0.000 0.496 422 L N 1.581 122.842 121.223 0.062 0.000 2.422 422 L HA 0.945 5.285 4.340 -0.000 0.000 0.264 422 L C -0.542 176.327 176.870 -0.002 0.000 0.984 422 L CA -0.328 54.519 54.840 0.012 0.000 0.819 422 L CB 2.064 44.139 42.059 0.027 0.000 1.330 422 L HN 1.014 nan 8.230 nan 0.000 0.410 423 A N 3.409 126.213 122.820 -0.028 0.000 2.359 423 A HA 0.981 5.301 4.320 -0.000 0.000 0.303 423 A C -0.842 176.742 177.584 -0.000 0.000 1.066 423 A CA 0.029 52.070 52.037 0.007 0.000 0.730 423 A CB 1.356 20.387 19.000 0.052 0.000 1.211 423 A HN 1.468 nan 8.150 nan 0.000 0.439 424 A N 1.806 124.641 122.820 0.026 0.000 2.371 424 A HA 0.811 5.131 4.320 -0.000 0.000 0.311 424 A C -0.932 176.700 177.584 0.079 0.000 1.068 424 A CA -0.523 51.528 52.037 0.023 0.000 0.744 424 A CB 1.440 20.442 19.000 0.003 0.000 1.239 424 A HN 1.361 nan 8.150 nan 0.000 0.435 425 V N 1.222 121.192 119.914 0.094 0.000 2.841 425 V HA 0.881 5.001 4.120 -0.000 0.000 0.310 425 V C 0.727 176.881 176.094 0.100 0.000 1.090 425 V CA 0.489 62.856 62.300 0.111 0.000 0.930 425 V CB 1.108 32.989 31.823 0.097 0.000 1.014 425 V HN 2.398 nan 8.190 nan 0.000 0.425 426 G N 4.675 113.524 108.800 0.082 0.000 2.443 426 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.209 426 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.209 426 G C -2.714 172.222 174.900 0.060 0.000 1.176 426 G CA -0.080 45.065 45.100 0.075 0.000 1.074 426 G HN 0.664 nan 8.290 nan 0.000 0.577 427 P HA 0.286 nan 4.420 nan 0.000 0.214 427 P C 1.199 178.529 177.300 0.050 0.000 1.807 427 P CA -0.062 63.067 63.100 0.048 0.000 0.921 427 P CB -1.013 30.715 31.700 0.047 0.000 1.835 428 I N -2.945 117.654 120.570 0.048 0.000 3.620 428 I HA 0.061 4.231 4.170 -0.000 0.000 0.305 428 I C 1.565 177.706 176.117 0.040 0.000 1.243 428 I CA 0.102 61.430 61.300 0.047 0.000 1.196 428 I CB -0.729 37.296 38.000 0.041 0.000 1.004 428 I HN 0.022 nan 8.210 nan 0.000 0.487 429 E N 1.812 122.033 120.200 0.034 0.000 2.118 429 E HA -0.309 4.041 4.350 -0.000 0.000 0.195 429 E C 2.141 178.757 176.600 0.027 0.000 0.992 429 E CA 1.394 57.810 56.400 0.027 0.000 0.804 429 E CB -0.011 29.702 29.700 0.022 0.000 0.741 429 E HN 0.761 nan 8.360 nan 0.000 0.458 430 Q N 0.269 120.088 119.800 0.031 0.000 2.297 430 Q HA -0.072 4.267 4.340 -0.000 0.000 0.204 430 Q C 0.475 176.496 176.000 0.034 0.000 0.962 430 Q CA 0.148 55.967 55.803 0.027 0.000 0.879 430 Q CB 0.096 28.849 28.738 0.025 0.000 0.947 430 Q HN 0.201 nan 8.270 nan 0.000 0.462 431 L N 1.412 122.664 121.223 0.050 0.000 2.313 431 L HA 0.443 4.783 4.340 -0.000 0.000 0.282 431 L C -1.205 175.689 176.870 0.041 0.000 1.092 431 L CA 0.151 55.026 54.840 0.059 0.000 0.831 431 L CB 0.869 42.972 42.059 0.073 0.000 1.159 431 L HN 0.113 nan 8.230 nan 0.000 0.442 432 L N 3.891 125.134 121.223 0.034 0.000 2.600 432 L HA 0.506 4.846 4.340 -0.000 0.000 0.257 432 L C -1.404 175.484 176.870 0.030 0.000 1.048 432 L CA -0.488 54.370 54.840 0.031 0.000 0.869 432 L CB 1.801 43.874 42.059 0.025 0.000 1.482 432 L HN 0.818 nan 8.230 nan 0.000 0.408 433 D N 0.670 121.096 120.400 0.043 0.000 5.864 433 D HA -0.298 4.342 4.640 -0.000 0.000 0.244 433 D C 0.118 176.458 176.300 0.067 0.000 1.511 433 D CA 1.145 55.180 54.000 0.060 0.000 1.451 433 D CB -0.221 40.604 40.800 0.042 0.000 0.732 433 D HN 0.552 nan 8.370 nan 0.000 0.394 434 Y N 4.807 125.109 120.300 0.002 0.000 2.114 434 Y HA -0.259 4.290 4.550 -0.000 0.000 0.282 434 Y C 2.078 177.987 175.900 0.015 0.000 1.165 434 Y CA 2.374 60.475 58.100 0.003 0.000 1.148 434 Y CB -0.228 38.227 38.460 -0.008 0.000 0.972 434 Y HN 0.534 nan 8.280 nan 0.000 0.504 435 N N 0.253 119.050 118.700 0.163 0.000 2.037 435 N HA -0.238 4.502 4.740 -0.000 0.000 0.196 435 N C 1.875 177.380 175.510 -0.008 0.000 1.034 435 N CA 1.780 54.888 53.050 0.096 0.000 0.861 435 N CB -0.345 38.200 38.487 0.097 0.000 1.039 435 N HN 0.333 nan 8.380 nan 0.000 0.427 436 R N 0.961 121.453 120.500 -0.013 0.000 2.073 436 R HA 0.002 4.341 4.340 -0.000 0.000 0.234 436 R C 2.396 178.647 176.300 -0.082 0.000 1.134 436 R CA 0.638 56.720 56.100 -0.029 0.000 0.952 436 R CB -0.998 29.299 30.300 -0.006 0.000 0.850 436 R HN 0.409 nan 8.270 nan 0.000 0.433 437 I N 0.465 120.953 120.570 -0.138 0.000 2.286 437 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 437 I C 2.552 178.523 176.117 -0.243 0.000 1.115 437 I CA 1.092 62.278 61.300 -0.190 0.000 1.392 437 I CB -0.287 37.559 38.000 -0.256 0.000 1.065 437 I HN 0.026 nan 8.210 nan 0.000 0.418 438 R N 1.280 121.582 120.500 -0.329 0.000 2.120 438 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 438 R C 2.037 178.299 176.300 -0.063 0.000 1.123 438 R CA 1.690 57.661 56.100 -0.215 0.000 0.975 438 R CB -0.524 29.700 30.300 -0.126 0.000 0.866 438 R HN 0.171 nan 8.270 nan 0.000 0.446 439 S N -0.899 114.741 115.700 -0.100 0.000 2.562 439 S HA 0.113 4.583 4.470 -0.000 0.000 0.221 439 S C 1.345 175.641 174.600 -0.507 0.000 0.975 439 S CA 0.617 58.656 58.200 -0.269 0.000 0.918 439 S CB 0.530 63.648 63.200 -0.137 0.000 0.772 439 S HN 0.597 nan 8.310 nan 0.000 0.531 440 G N 0.655 109.296 108.800 -0.265 0.000 3.124 440 G HA2 0.072 4.032 3.960 -0.000 0.000 0.212 440 G HA3 0.072 4.032 3.960 -0.000 0.000 0.212 440 G C 0.788 175.584 174.900 -0.174 0.000 1.181 440 G CA -0.029 44.937 45.100 -0.223 0.000 0.803 440 G HN 0.332 nan 8.290 nan 0.000 0.529 441 M N 0.374 119.857 119.600 -0.194 0.000 2.453 441 M HA 0.317 4.797 4.480 -0.000 0.000 0.239 441 M C -0.521 175.681 176.300 -0.164 0.000 1.151 441 M CA -0.247 55.020 55.300 -0.056 0.000 0.989 441 M CB -0.882 31.744 32.600 0.044 0.000 1.548 441 M HN 0.444 nan 8.290 nan 0.000 0.479 442 Y N -4.156 116.025 120.300 -0.198 0.000 2.565 442 Y HA 0.487 5.037 4.550 -0.000 0.000 0.330 442 Y C -1.028 175.003 175.900 0.218 0.000 1.150 442 Y CA -2.134 55.786 58.100 -0.300 0.000 1.055 442 Y CB 0.227 38.380 38.460 -0.511 0.000 1.337 442 Y HN 0.269 nan 8.280 nan 0.000 0.457 443 W N 3.441 124.943 121.300 0.337 0.000 3.089 443 W HA -0.032 4.628 4.660 -0.000 0.000 0.456 443 W C 0.540 177.130 176.519 0.118 0.000 1.836 443 W CA 0.003 57.497 57.345 0.248 0.000 0.462 443 W CB -0.871 28.698 29.460 0.182 0.000 2.860 443 W HN 1.272 nan 8.180 nan 0.000 0.423 444 I N 0.000 120.723 120.570 0.255 0.000 2.984 444 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 444 I CA 0.000 61.287 61.300 -0.022 0.000 1.566 444 I CB 0.000 37.888 38.000 -0.187 0.000 1.214 444 I HN 0.000 nan 8.210 nan 0.000 0.494