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 3l75_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 0.000 177.603 177.584 0.032 0.000 1.274 2 A CA 0.000 52.047 52.037 0.016 0.000 0.836 2 A CB 0.000 19.009 19.000 0.015 0.000 0.831 3 T N -0.789 113.785 114.554 0.034 0.000 2.902 3 T HA 0.461 4.810 4.350 -0.000 0.000 0.280 3 T C 1.059 175.811 174.700 0.087 0.000 0.992 3 T CA -0.029 62.110 62.100 0.065 0.000 1.015 3 T CB 0.755 69.658 68.868 0.060 0.000 1.044 3 T HN 1.003 nan 8.240 nan 0.000 0.520 4 Y N 1.917 122.221 120.300 0.007 0.000 2.102 4 Y HA -0.188 4.362 4.550 -0.000 0.000 0.280 4 Y C 2.629 178.535 175.900 0.010 0.000 1.178 4 Y CA 2.212 60.318 58.100 0.009 0.000 1.146 4 Y CB -1.192 37.276 38.460 0.013 0.000 0.968 4 Y HN 0.842 nan 8.280 nan 0.000 0.504 5 A N 0.280 123.047 122.820 -0.088 0.000 1.873 5 A HA -0.317 4.003 4.320 -0.000 0.000 0.218 5 A C 2.145 179.636 177.584 -0.155 0.000 1.193 5 A CA 2.287 54.222 52.037 -0.171 0.000 0.629 5 A CB -0.999 17.979 19.000 -0.036 0.000 0.826 5 A HN 0.707 nan 8.150 nan 0.000 0.447 6 Q N -0.718 119.037 119.800 -0.076 0.000 2.061 6 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 6 Q C 2.346 178.299 176.000 -0.078 0.000 0.984 6 Q CA 2.356 58.123 55.803 -0.060 0.000 0.846 6 Q CB -0.719 28.003 28.738 -0.026 0.000 0.902 6 Q HN 0.909 nan 8.270 nan 0.000 0.421 7 T N -0.237 114.270 114.554 -0.079 0.000 2.803 7 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 7 T C 1.870 176.501 174.700 -0.114 0.000 1.052 7 T CA 0.993 63.050 62.100 -0.072 0.000 1.136 7 T CB -0.375 68.473 68.868 -0.033 0.000 0.864 7 T HN 0.154 nan 8.240 nan 0.000 0.467 8 L N 0.496 121.595 121.223 -0.206 0.000 2.093 8 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 8 L C 3.148 179.938 176.870 -0.133 0.000 1.085 8 L CA 1.459 56.173 54.840 -0.210 0.000 0.755 8 L CB -0.575 41.276 42.059 -0.346 0.000 0.904 8 L HN 0.359 nan 8.230 nan 0.000 0.435 9 Q N -0.326 119.404 119.800 -0.117 0.000 2.172 9 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 9 Q C 1.440 177.400 176.000 -0.067 0.000 0.964 9 Q CA 1.128 56.881 55.803 -0.084 0.000 0.855 9 Q CB -0.092 28.604 28.738 -0.071 0.000 0.918 9 Q HN 0.404 nan 8.270 nan 0.000 0.444 10 N N 0.143 118.806 118.700 -0.062 0.000 2.521 10 N HA 0.085 4.824 4.740 -0.000 0.000 0.188 10 N C -0.330 175.152 175.510 -0.046 0.000 1.146 10 N CA 0.242 53.263 53.050 -0.047 0.000 0.893 10 N CB 0.246 38.710 38.487 -0.038 0.000 0.975 10 N HN 0.175 nan 8.380 nan 0.000 0.451 11 I N 2.742 123.279 120.570 -0.055 0.000 2.533 11 I HA 0.077 4.247 4.170 -0.000 0.000 0.284 11 I C -1.627 174.458 176.117 -0.053 0.000 1.109 11 I CA -1.663 59.607 61.300 -0.051 0.000 1.412 11 I CB 0.486 38.453 38.000 -0.055 0.000 1.396 11 I HN -0.038 nan 8.210 nan 0.000 0.543 12 P HA -0.061 nan 4.420 nan 0.000 0.263 12 P C -0.357 176.903 177.300 -0.066 0.000 1.175 12 P CA 0.184 63.253 63.100 -0.052 0.000 0.761 12 P CB 0.635 32.308 31.700 -0.045 0.000 0.794 13 E N 1.241 121.397 120.200 -0.072 0.000 2.392 13 E HA 0.138 4.488 4.350 -0.000 0.000 0.259 13 E C -0.395 176.139 176.600 -0.109 0.000 1.108 13 E CA -0.351 55.996 56.400 -0.088 0.000 0.916 13 E CB 0.485 30.134 29.700 -0.084 0.000 0.989 13 E HN 0.337 nan 8.360 nan 0.000 0.432 14 T N 3.802 118.284 114.554 -0.121 0.000 2.743 14 T HA 0.256 4.606 4.350 -0.000 0.000 0.293 14 T C -0.492 174.096 174.700 -0.187 0.000 0.945 14 T CA -0.759 61.254 62.100 -0.145 0.000 1.030 14 T CB 0.307 69.096 68.868 -0.131 0.000 0.912 14 T HN 0.338 nan 8.240 nan 0.000 0.483 15 N N 2.602 121.123 118.700 -0.298 0.000 2.455 15 N HA 0.493 5.233 4.740 -0.000 0.000 0.280 15 N C -0.815 174.452 175.510 -0.405 0.000 1.055 15 N CA -0.353 52.405 53.050 -0.485 0.000 0.961 15 N CB 1.928 39.811 38.487 -1.007 0.000 1.121 15 N HN 0.269 nan 8.380 nan 0.000 0.476 16 V N 0.795 120.595 119.914 -0.191 0.000 2.709 16 V HA 0.636 4.756 4.120 -0.000 0.000 0.308 16 V C 0.029 176.175 176.094 0.087 0.000 1.062 16 V CA -0.740 61.553 62.300 -0.011 0.000 0.901 16 V CB 1.910 33.720 31.823 -0.022 0.000 1.003 16 V HN 0.883 nan 8.190 nan 0.000 0.425 17 T N -0.355 114.285 114.554 0.143 0.000 2.894 17 T HA 0.678 5.028 4.350 -0.000 0.000 0.309 17 T C -0.707 174.029 174.700 0.059 0.000 1.208 17 T CA -0.701 61.466 62.100 0.112 0.000 1.016 17 T CB 2.091 71.050 68.868 0.153 0.000 1.192 17 T HN 0.523 nan 8.240 nan 0.000 0.491 18 T N 2.856 117.432 114.554 0.036 0.000 2.807 18 T HA 0.591 4.941 4.350 -0.000 0.000 0.279 18 T C 0.207 174.917 174.700 0.015 0.000 0.993 18 T CA -0.815 61.298 62.100 0.021 0.000 0.970 18 T CB 0.863 69.741 68.868 0.017 0.000 0.950 18 T HN 0.578 nan 8.240 nan 0.000 0.441 19 L N 1.859 123.089 121.223 0.012 0.000 2.468 19 L HA 0.320 4.660 4.340 -0.000 0.000 0.254 19 L C 1.266 178.140 176.870 0.008 0.000 1.171 19 L CA -0.792 54.057 54.840 0.014 0.000 0.809 19 L CB 0.418 42.493 42.059 0.026 0.000 1.155 19 L HN 0.642 nan 8.230 nan 0.000 0.473 20 D N 0.547 120.949 120.400 0.003 0.000 2.219 20 D HA -0.142 4.498 4.640 -0.000 0.000 0.205 20 D C 1.481 177.771 176.300 -0.016 0.000 0.970 20 D CA 1.219 55.214 54.000 -0.008 0.000 0.851 20 D CB -0.211 40.580 40.800 -0.016 0.000 0.943 20 D HN 0.584 nan 8.370 nan 0.000 0.488 21 N N 0.247 118.940 118.700 -0.011 0.000 2.550 21 N HA -0.040 4.700 4.740 -0.000 0.000 0.186 21 N C 1.504 177.010 175.510 -0.006 0.000 1.110 21 N CA 1.232 54.272 53.050 -0.017 0.000 0.912 21 N CB -0.147 38.342 38.487 0.003 0.000 0.968 21 N HN 0.247 nan 8.380 nan 0.000 0.448 22 G N -0.489 108.311 108.800 -0.000 0.000 2.218 22 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.216 22 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.216 22 G C -0.212 174.687 174.900 -0.001 0.000 0.994 22 G CA 0.073 45.175 45.100 0.003 0.000 0.637 22 G HN 0.482 nan 8.290 nan 0.000 0.505 23 L N 1.169 122.386 121.223 -0.009 0.000 2.439 23 L HA 0.699 5.039 4.340 -0.000 0.000 0.269 23 L C 0.626 177.476 176.870 -0.033 0.000 1.179 23 L CA -0.537 54.279 54.840 -0.040 0.000 0.828 23 L CB 0.454 42.463 42.059 -0.084 0.000 1.106 23 L HN 0.239 nan 8.230 nan 0.000 0.467 24 R N 3.164 123.639 120.500 -0.041 0.000 2.514 24 R HA 0.614 4.953 4.340 -0.000 0.000 0.301 24 R C -1.419 174.867 176.300 -0.023 0.000 0.962 24 R CA -0.752 55.338 56.100 -0.017 0.000 0.882 24 R CB 2.081 32.378 30.300 -0.005 0.000 1.143 24 R HN 0.440 nan 8.270 nan 0.000 0.452 25 V N 2.408 122.332 119.914 0.017 0.000 2.407 25 V HA 0.664 4.784 4.120 -0.000 0.000 0.291 25 V C -0.473 175.695 176.094 0.123 0.000 1.018 25 V CA -0.663 61.663 62.300 0.044 0.000 0.842 25 V CB 1.491 33.334 31.823 0.034 0.000 0.996 25 V HN 0.931 nan 8.190 nan 0.000 0.426 26 A N 4.053 126.920 122.820 0.078 0.000 2.413 26 A HA 1.052 5.372 4.320 -0.000 0.000 0.307 26 A C -0.291 177.315 177.584 0.038 0.000 1.087 26 A CA -0.314 51.748 52.037 0.042 0.000 0.750 26 A CB 2.121 21.099 19.000 -0.038 0.000 1.296 26 A HN 1.349 nan 8.150 nan 0.000 0.423 27 S N 0.143 115.834 115.700 -0.015 0.000 2.558 27 S HA 0.555 5.025 4.470 -0.000 0.000 0.277 27 S C -1.274 173.285 174.600 -0.069 0.000 1.143 27 S CA -0.672 57.525 58.200 -0.005 0.000 0.865 27 S CB 1.276 64.543 63.200 0.110 0.000 1.102 27 S HN 0.966 nan 8.310 nan 0.000 0.454 28 E N 0.671 120.834 120.200 -0.061 0.000 2.176 28 E HA 0.454 4.804 4.350 -0.000 0.000 0.267 28 E C -0.863 175.713 176.600 -0.039 0.000 0.893 28 E CA -0.410 55.948 56.400 -0.070 0.000 0.761 28 E CB 1.422 31.072 29.700 -0.084 0.000 1.133 28 E HN 0.690 nan 8.360 nan 0.000 0.409 29 E N 3.039 123.219 120.200 -0.033 0.000 2.249 29 E HA 0.333 4.683 4.350 -0.000 0.000 0.280 29 E C -0.993 175.596 176.600 -0.018 0.000 1.016 29 E CA -0.332 56.060 56.400 -0.014 0.000 0.830 29 E CB 1.068 30.767 29.700 -0.003 0.000 1.081 29 E HN 0.522 nan 8.360 nan 0.000 0.395 30 S N 1.835 117.528 115.700 -0.012 0.000 2.851 30 S HA 0.418 4.888 4.470 -0.000 0.000 0.313 30 S C -0.224 174.372 174.600 -0.008 0.000 1.163 30 S CA -0.277 57.915 58.200 -0.013 0.000 0.850 30 S CB 1.060 64.252 63.200 -0.014 0.000 1.245 30 S HN 0.510 nan 8.310 nan 0.000 0.558 31 S N -0.344 115.352 115.700 -0.008 0.000 2.506 31 S HA 0.327 4.797 4.470 -0.000 0.000 0.245 31 S C -0.284 174.313 174.600 -0.007 0.000 1.088 31 S CA -0.643 57.553 58.200 -0.006 0.000 1.099 31 S CB -0.649 62.547 63.200 -0.006 0.000 0.805 31 S HN 0.620 nan 8.310 nan 0.000 0.461 32 Q N 2.544 122.340 119.800 -0.007 0.000 2.278 32 Q HA 0.275 4.615 4.340 -0.000 0.000 0.257 32 Q C -1.761 174.233 176.000 -0.010 0.000 0.928 32 Q CA -2.481 53.317 55.803 -0.008 0.000 0.932 32 Q CB 1.474 30.207 28.738 -0.009 0.000 1.221 32 Q HN 0.179 nan 8.270 nan 0.000 0.434 33 P HA -0.163 nan 4.420 nan 0.000 0.223 33 P C 0.455 177.743 177.300 -0.020 0.000 1.144 33 P CA 1.166 64.257 63.100 -0.015 0.000 0.783 33 P CB 0.384 32.074 31.700 -0.016 0.000 0.771 34 T N -0.717 113.825 114.554 -0.021 0.000 2.940 34 T HA 0.556 4.906 4.350 -0.000 0.000 0.288 34 T C -0.512 174.178 174.700 -0.017 0.000 1.033 34 T CA -0.519 61.564 62.100 -0.028 0.000 1.033 34 T CB 1.032 69.879 68.868 -0.035 0.000 1.079 34 T HN 0.281 nan 8.240 nan 0.000 0.496 35 C N 1.161 120.451 119.300 -0.016 0.000 3.321 35 C HA 0.894 5.354 4.460 -0.000 0.000 0.329 35 C C -0.842 174.160 174.990 0.020 0.000 1.394 35 C CA -0.622 58.398 59.018 0.003 0.000 1.291 35 C CB 1.085 28.830 27.740 0.008 0.000 1.606 35 C HN 0.835 nan 8.230 nan 0.000 0.463 36 T N 1.544 116.127 114.554 0.048 0.000 2.881 36 T HA 0.734 5.083 4.350 -0.000 0.000 0.290 36 T C -0.525 174.254 174.700 0.131 0.000 1.000 36 T CA -0.324 61.836 62.100 0.099 0.000 0.978 36 T CB 1.393 70.326 68.868 0.108 0.000 0.997 36 T HN 1.987 nan 8.240 nan 0.000 0.443 37 V N 0.073 120.089 119.914 0.170 0.000 2.841 37 V HA 1.098 5.218 4.120 -0.000 0.000 0.310 37 V C -0.331 175.933 176.094 0.283 0.000 1.090 37 V CA -0.457 61.965 62.300 0.204 0.000 0.930 37 V CB 1.625 33.527 31.823 0.131 0.000 1.014 37 V HN 1.181 nan 8.190 nan 0.000 0.425 38 G N 0.955 109.984 108.800 0.382 0.000 2.608 38 G HA2 0.611 4.571 3.960 -0.000 0.000 0.291 38 G HA3 0.611 4.571 3.960 -0.000 0.000 0.291 38 G C -1.748 173.337 174.900 0.309 0.000 1.425 38 G CA -0.145 45.139 45.100 0.307 0.000 0.787 38 G HN 1.729 nan 8.290 nan 0.000 0.484 39 V N 1.212 121.197 119.914 0.118 0.000 2.357 39 V HA 0.622 4.742 4.120 -0.000 0.000 0.284 39 V C -0.948 175.123 176.094 -0.037 0.000 1.018 39 V CA -0.969 61.395 62.300 0.107 0.000 0.841 39 V CB 0.808 32.658 31.823 0.045 0.000 0.991 39 V HN 0.637 nan 8.190 nan 0.000 0.437 40 W N 7.756 129.030 121.300 -0.044 0.000 2.342 40 W HA 0.494 5.154 4.660 -0.000 0.000 0.310 40 W C -0.336 176.127 176.519 -0.093 0.000 1.128 40 W CA -0.520 56.778 57.345 -0.078 0.000 1.322 40 W CB 1.472 30.902 29.460 -0.049 0.000 1.251 40 W HN 0.482 nan 8.180 nan 0.000 0.439 41 I N 2.562 123.113 120.570 -0.032 0.000 2.385 41 I HA 0.276 4.445 4.170 -0.000 0.000 0.294 41 I C 1.158 177.287 176.117 0.019 0.000 0.988 41 I CA -0.553 60.727 61.300 -0.033 0.000 1.265 41 I CB 1.270 39.186 38.000 -0.139 0.000 1.388 41 I HN 0.397 nan 8.210 nan 0.000 0.480 42 G N 5.081 113.892 108.800 0.018 0.000 3.064 42 G HA2 0.559 4.519 3.960 -0.000 0.000 0.286 42 G HA3 0.559 4.519 3.960 -0.000 0.000 0.286 42 G C -0.120 174.652 174.900 -0.213 0.000 0.834 42 G CA -0.035 45.078 45.100 0.022 0.000 1.856 42 G HN 0.766 nan 8.290 nan 0.000 0.559 43 A N 0.462 123.196 122.820 -0.145 0.000 2.594 43 A HA 1.058 5.378 4.320 -0.000 0.000 0.291 43 A C 0.100 177.745 177.584 0.101 0.000 1.105 43 A CA -0.139 51.687 52.037 -0.352 0.000 0.694 43 A CB 1.707 20.633 19.000 -0.124 0.000 1.291 43 A HN 1.822 nan 8.150 nan 0.000 0.410 44 G N -1.166 107.783 108.800 0.247 0.000 2.317 44 G HA2 0.534 4.493 3.960 -0.000 0.000 0.293 44 G HA3 0.534 4.493 3.960 -0.000 0.000 0.293 44 G C 0.720 175.780 174.900 0.267 0.000 1.287 44 G CA 0.827 46.103 45.100 0.293 0.000 0.850 44 G HN 1.838 nan 8.290 nan 0.000 0.515 45 S N -0.410 115.378 115.700 0.146 0.000 2.399 45 S HA -0.137 4.332 4.470 -0.000 0.000 0.231 45 S C 2.065 176.693 174.600 0.047 0.000 1.022 45 S CA 1.651 59.894 58.200 0.072 0.000 0.983 45 S CB -0.239 62.965 63.200 0.006 0.000 0.803 45 S HN 0.711 nan 8.310 nan 0.000 0.480 46 R N 0.066 120.567 120.500 0.001 0.000 2.127 46 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 46 R C 1.383 177.583 176.300 -0.166 0.000 1.134 46 R CA 1.488 57.498 56.100 -0.150 0.000 0.975 46 R CB -0.356 29.758 30.300 -0.311 0.000 0.865 46 R HN 0.584 nan 8.270 nan 0.000 0.447 47 Y N 0.487 120.766 120.300 -0.034 0.000 2.544 47 Y HA 0.089 4.639 4.550 -0.000 0.000 0.286 47 Y C 0.614 176.528 175.900 0.024 0.000 1.141 47 Y CA 0.202 58.278 58.100 -0.040 0.000 1.299 47 Y CB 0.137 38.459 38.460 -0.230 0.000 1.030 47 Y HN 0.135 nan 8.280 nan 0.000 0.543 48 E N 0.812 121.116 120.200 0.173 0.000 2.849 48 E HA 0.219 4.569 4.350 -0.000 0.000 0.257 48 E C -0.127 176.535 176.600 0.105 0.000 1.306 48 E CA -0.587 55.916 56.400 0.170 0.000 1.058 48 E CB 0.489 30.264 29.700 0.126 0.000 1.249 48 E HN 0.303 nan 8.360 nan 0.000 0.638 49 N N -0.990 117.764 118.700 0.091 0.000 3.204 49 N HA 0.032 4.772 4.740 -0.000 0.000 0.285 49 N C 0.490 176.030 175.510 0.050 0.000 1.536 49 N CA -0.607 52.480 53.050 0.061 0.000 0.832 49 N CB 1.265 39.791 38.487 0.065 0.000 1.645 49 N HN 0.535 nan 8.380 nan 0.000 0.586 50 E N 0.392 120.616 120.200 0.040 0.000 2.147 50 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 50 E C 1.034 177.657 176.600 0.039 0.000 1.005 50 E CA 1.807 58.228 56.400 0.035 0.000 0.810 50 E CB 0.077 29.794 29.700 0.029 0.000 0.736 50 E HN 0.493 nan 8.360 nan 0.000 0.460 51 K N -0.102 120.324 120.400 0.043 0.000 2.166 51 K HA -0.026 4.294 4.320 -0.000 0.000 0.201 51 K C 1.307 177.937 176.600 0.050 0.000 1.052 51 K CA 0.999 57.313 56.287 0.044 0.000 0.969 51 K CB 0.099 32.621 32.500 0.037 0.000 0.761 51 K HN 0.132 nan 8.250 nan 0.000 0.459 52 N N 0.823 119.559 118.700 0.059 0.000 2.328 52 N HA -0.047 4.693 4.740 -0.000 0.000 0.247 52 N C -0.961 174.576 175.510 0.045 0.000 1.165 52 N CA -0.174 52.911 53.050 0.059 0.000 0.873 52 N CB -0.382 38.163 38.487 0.095 0.000 1.125 52 N HN 0.104 nan 8.380 nan 0.000 0.513 53 N N 0.367 119.091 118.700 0.040 0.000 2.475 53 N HA 0.249 4.988 4.740 -0.000 0.000 0.267 53 N C 0.682 176.200 175.510 0.014 0.000 1.169 53 N CA 0.928 53.992 53.050 0.024 0.000 0.947 53 N CB 0.187 38.687 38.487 0.020 0.000 1.061 53 N HN 0.423 nan 8.380 nan 0.000 0.466 54 G N 1.843 110.638 108.800 -0.007 0.000 2.141 54 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.231 54 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.231 54 G C 0.712 175.642 174.900 0.049 0.000 0.984 54 G CA 0.338 45.449 45.100 0.019 0.000 0.660 54 G HN 0.799 nan 8.290 nan 0.000 0.525 55 A N 0.331 123.098 122.820 -0.089 0.000 1.855 55 A HA 0.433 4.753 4.320 -0.000 0.000 0.213 55 A C 2.796 180.109 177.584 -0.453 0.000 1.195 55 A CA 2.046 53.955 52.037 -0.214 0.000 0.610 55 A CB -1.037 17.779 19.000 -0.307 0.000 0.837 55 A HN 1.588 nan 8.150 nan 0.000 0.444 56 G N -1.751 106.556 108.800 -0.821 0.000 2.485 56 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.221 56 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.221 56 G C 1.505 176.377 174.900 -0.046 0.000 1.115 56 G CA 1.454 46.166 45.100 -0.647 0.000 0.751 56 G HN 0.552 nan 8.290 nan 0.000 0.567 57 Y N -0.146 120.092 120.300 -0.103 0.000 2.243 57 Y HA 0.190 4.739 4.550 -0.000 0.000 0.293 57 Y C 2.325 178.262 175.900 0.062 0.000 1.124 57 Y CA 0.591 58.691 58.100 0.001 0.000 1.159 57 Y CB -0.400 38.037 38.460 -0.039 0.000 1.008 57 Y HN 0.190 nan 8.280 nan 0.000 0.527 58 F N -0.839 119.074 119.950 -0.062 0.000 2.126 58 F HA -0.291 4.236 4.527 -0.000 0.000 0.299 58 F C 2.253 177.986 175.800 -0.111 0.000 1.096 58 F CA 1.479 59.383 58.000 -0.160 0.000 1.255 58 F CB -0.234 38.685 39.000 -0.134 0.000 0.997 58 F HN -0.127 nan 8.300 nan 0.000 0.479 59 V N 0.074 120.081 119.914 0.155 0.000 2.295 59 V HA -0.325 3.795 4.120 -0.000 0.000 0.246 59 V C 2.261 178.412 176.094 0.096 0.000 1.049 59 V CA 2.237 64.602 62.300 0.108 0.000 1.024 59 V CB -0.626 31.266 31.823 0.114 0.000 0.648 59 V HN 0.367 nan 8.190 nan 0.000 0.447 60 E N -0.958 119.298 120.200 0.094 0.000 2.273 60 E HA -0.262 4.087 4.350 -0.000 0.000 0.198 60 E C 1.997 178.479 176.600 -0.198 0.000 1.002 60 E CA 1.193 57.587 56.400 -0.011 0.000 0.828 60 E CB -0.099 29.546 29.700 -0.092 0.000 0.747 60 E HN 0.732 nan 8.360 nan 0.000 0.491 61 H N -0.971 117.951 119.070 -0.247 0.000 2.512 61 H HA 0.052 4.607 4.556 -0.000 0.000 0.279 61 H C 1.848 177.093 175.328 -0.138 0.000 0.999 61 H CA 0.622 56.534 56.048 -0.227 0.000 1.283 61 H CB 0.531 30.135 29.762 -0.264 0.000 1.421 61 H HN 0.200 nan 8.280 nan 0.000 0.554 62 L N -0.382 120.837 121.223 -0.007 0.000 2.556 62 L HA 0.204 4.544 4.340 -0.000 0.000 0.226 62 L C 2.465 179.219 176.870 -0.192 0.000 1.089 62 L CA 0.188 54.999 54.840 -0.048 0.000 0.864 62 L CB 0.119 42.180 42.059 0.003 0.000 1.067 62 L HN 0.073 nan 8.230 nan 0.000 0.477 63 A N -0.196 122.418 122.820 -0.343 0.000 2.272 63 A HA -0.087 4.233 4.320 -0.000 0.000 0.213 63 A C 1.614 178.829 177.584 -0.615 0.000 1.183 63 A CA 1.355 53.028 52.037 -0.607 0.000 0.719 63 A CB -0.642 17.780 19.000 -0.964 0.000 0.771 63 A HN 0.514 nan 8.150 nan 0.000 0.484 64 F N -1.976 117.785 119.950 -0.316 0.000 2.781 64 F HA 0.185 4.712 4.527 -0.000 0.000 0.322 64 F C 1.049 176.763 175.800 -0.142 0.000 1.108 64 F CA -0.483 57.355 58.000 -0.270 0.000 1.179 64 F CB 0.801 39.665 39.000 -0.227 0.000 1.072 64 F HN -0.080 nan 8.300 nan 0.000 0.545 65 K N 1.426 121.813 120.400 -0.022 0.000 2.500 65 K HA 0.378 4.698 4.320 -0.000 0.000 0.206 65 K C 0.524 177.086 176.600 -0.064 0.000 1.034 65 K CA 0.274 56.565 56.287 0.006 0.000 1.179 65 K CB 0.341 32.846 32.500 0.009 0.000 0.884 65 K HN 0.316 nan 8.250 nan 0.000 0.493 66 G N 1.219 109.862 108.800 -0.261 0.000 2.674 66 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.686 66 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.686 66 G C -0.113 174.620 174.900 -0.278 0.000 1.195 66 G CA -0.416 44.520 45.100 -0.274 0.000 0.776 66 G HN 0.162 nan 8.290 nan 0.000 0.654 67 T N -1.324 113.091 114.554 -0.231 0.000 2.864 67 T HA 0.702 5.051 4.350 -0.000 0.000 0.276 67 T C 1.471 176.135 174.700 -0.060 0.000 1.006 67 T CA 0.282 62.294 62.100 -0.147 0.000 0.970 67 T CB 1.556 70.349 68.868 -0.126 0.000 1.420 67 T HN 0.625 nan 8.240 nan 0.000 0.601 68 K N 0.068 120.444 120.400 -0.040 0.000 2.098 68 K HA 0.133 4.453 4.320 -0.000 0.000 0.203 68 K C 2.388 178.989 176.600 0.001 0.000 1.051 68 K CA 0.651 56.927 56.287 -0.018 0.000 0.957 68 K CB -0.065 32.425 32.500 -0.017 0.000 0.738 68 K HN 0.432 nan 8.250 nan 0.000 0.447 69 K N 1.056 121.461 120.400 0.008 0.000 2.209 69 K HA -0.100 4.220 4.320 -0.000 0.000 0.204 69 K C 0.359 176.985 176.600 0.042 0.000 1.048 69 K CA 0.859 57.161 56.287 0.025 0.000 0.940 69 K CB 0.058 32.577 32.500 0.031 0.000 0.729 69 K HN 0.215 nan 8.250 nan 0.000 0.451 70 R N 0.261 120.795 120.500 0.056 0.000 2.549 70 R HA 0.257 4.597 4.340 -0.000 0.000 0.291 70 R C -3.167 173.188 176.300 0.091 0.000 1.164 70 R CA -1.628 54.525 56.100 0.088 0.000 0.973 70 R CB 1.023 31.410 30.300 0.144 0.000 1.210 70 R HN -0.221 nan 8.270 nan 0.000 0.422 71 P HA -0.112 nan 4.420 nan 0.000 0.273 71 P C 0.705 178.066 177.300 0.102 0.000 1.252 71 P CA -0.374 62.759 63.100 0.055 0.000 0.809 71 P CB 0.677 32.402 31.700 0.041 0.000 1.017 72 C N 0.867 120.215 119.300 0.080 0.000 2.383 72 C HA -0.248 4.212 4.460 -0.000 0.000 0.280 72 C C 3.040 178.121 174.990 0.151 0.000 1.172 72 C CA 2.952 62.040 59.018 0.118 0.000 1.785 72 C CB -1.940 25.845 27.740 0.074 0.000 1.959 72 C HN 0.695 nan 8.230 nan 0.000 0.424 73 A N 0.302 123.177 122.820 0.093 0.000 1.896 73 A HA -0.173 4.146 4.320 -0.000 0.000 0.220 73 A C 2.442 180.070 177.584 0.074 0.000 1.206 73 A CA 3.547 55.627 52.037 0.071 0.000 0.647 73 A CB -1.474 17.553 19.000 0.045 0.000 0.828 73 A HN 1.109 nan 8.150 nan 0.000 0.455 74 A N -1.477 121.393 122.820 0.084 0.000 1.865 74 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 74 A C 2.103 179.742 177.584 0.091 0.000 1.191 74 A CA 1.869 53.951 52.037 0.074 0.000 0.623 74 A CB -0.842 18.206 19.000 0.080 0.000 0.826 74 A HN 0.814 nan 8.150 nan 0.000 0.444 75 F N 1.029 120.992 119.950 0.021 0.000 2.095 75 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 75 F C 2.297 178.118 175.800 0.034 0.000 1.104 75 F CA 2.264 60.284 58.000 0.034 0.000 1.232 75 F CB -0.298 38.735 39.000 0.055 0.000 0.987 75 F HN 0.385 nan 8.300 nan 0.000 0.475 76 E N 0.204 120.431 120.200 0.046 0.000 2.017 76 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 76 E C 2.248 178.782 176.600 -0.111 0.000 0.997 76 E CA 1.421 57.791 56.400 -0.050 0.000 0.804 76 E CB -0.432 29.302 29.700 0.058 0.000 0.757 76 E HN 0.396 nan 8.360 nan 0.000 0.448 77 K N 1.361 121.728 120.400 -0.055 0.000 2.044 77 K HA -0.285 4.035 4.320 -0.000 0.000 0.210 77 K C 2.179 178.723 176.600 -0.094 0.000 1.049 77 K CA 1.949 58.203 56.287 -0.056 0.000 0.927 77 K CB -0.090 32.395 32.500 -0.026 0.000 0.713 77 K HN 0.061 nan 8.250 nan 0.000 0.443 78 E N -0.055 120.071 120.200 -0.123 0.000 2.085 78 E HA -0.180 4.169 4.350 -0.000 0.000 0.194 78 E C 1.851 178.334 176.600 -0.196 0.000 0.994 78 E CA 1.570 57.883 56.400 -0.145 0.000 0.801 78 E CB 0.104 29.714 29.700 -0.150 0.000 0.743 78 E HN 0.207 nan 8.360 nan 0.000 0.453 79 V N 1.069 120.805 119.914 -0.296 0.000 2.323 79 V HA -0.206 3.914 4.120 -0.000 0.000 0.244 79 V C 2.135 178.126 176.094 -0.172 0.000 1.041 79 V CA 2.048 64.170 62.300 -0.297 0.000 1.025 79 V CB -0.509 31.063 31.823 -0.419 0.000 0.656 79 V HN 0.281 nan 8.190 nan 0.000 0.451 80 E N 1.009 121.128 120.200 -0.135 0.000 2.023 80 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 80 E C 2.267 178.831 176.600 -0.059 0.000 1.003 80 E CA 1.799 58.155 56.400 -0.074 0.000 0.809 80 E CB -0.341 29.325 29.700 -0.058 0.000 0.755 80 E HN 0.712 nan 8.360 nan 0.000 0.449 81 S N 1.017 116.678 115.700 -0.065 0.000 2.520 81 S HA -0.177 4.293 4.470 -0.000 0.000 0.249 81 S C 1.843 176.411 174.600 -0.054 0.000 0.983 81 S CA 1.325 59.494 58.200 -0.052 0.000 0.958 81 S CB -0.537 62.633 63.200 -0.050 0.000 0.750 81 S HN 0.367 nan 8.310 nan 0.000 0.527 82 M N -1.479 118.079 119.600 -0.069 0.000 2.346 82 M HA 0.568 5.048 4.480 -0.000 0.000 0.280 82 M C 1.169 177.430 176.300 -0.064 0.000 1.075 82 M CA 0.242 55.501 55.300 -0.069 0.000 0.989 82 M CB 0.104 32.651 32.600 -0.089 0.000 1.447 82 M HN 0.246 nan 8.290 nan 0.000 0.511 83 G N 1.526 110.298 108.800 -0.047 0.000 2.168 83 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.257 83 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.257 83 G C 0.132 174.999 174.900 -0.054 0.000 0.997 83 G CA 0.283 45.364 45.100 -0.030 0.000 0.708 83 G HN 0.966 nan 8.290 nan 0.000 0.520 84 A N -0.240 122.545 122.820 -0.058 0.000 2.293 84 A HA 0.748 5.067 4.320 -0.000 0.000 0.302 84 A C 0.045 177.675 177.584 0.076 0.000 1.119 84 A CA -0.407 51.580 52.037 -0.083 0.000 0.823 84 A CB 0.562 19.472 19.000 -0.150 0.000 1.097 84 A HN 0.564 nan 8.150 nan 0.000 0.491 85 H N 0.441 119.465 119.070 -0.076 0.000 2.459 85 H HA 0.413 4.969 4.556 -0.000 0.000 0.332 85 H C -1.645 173.656 175.328 -0.044 0.000 1.094 85 H CA -0.419 55.604 56.048 -0.042 0.000 1.224 85 H CB 1.520 31.290 29.762 0.014 0.000 1.449 85 H HN 0.514 nan 8.280 nan 0.000 0.484 86 F N 3.410 123.260 119.950 -0.166 0.000 2.403 86 F HA 0.286 4.813 4.527 -0.000 0.000 0.355 86 F C -0.409 175.084 175.800 -0.510 0.000 1.119 86 F CA -0.993 56.770 58.000 -0.395 0.000 1.007 86 F CB 0.700 39.315 39.000 -0.641 0.000 1.194 86 F HN 0.565 nan 8.300 nan 0.000 0.443 87 N N 1.976 120.633 118.700 -0.072 0.000 2.629 87 N HA 0.866 5.606 4.740 -0.000 0.000 0.279 87 N C -0.770 174.572 175.510 -0.279 0.000 1.344 87 N CA -0.274 52.624 53.050 -0.252 0.000 0.789 87 N CB 2.362 40.648 38.487 -0.335 0.000 1.508 87 N HN 0.750 nan 8.380 nan 0.000 0.516 88 G N -0.894 107.818 108.800 -0.146 0.000 2.451 88 G HA2 0.471 4.431 3.960 -0.000 0.000 0.292 88 G HA3 0.471 4.431 3.960 -0.000 0.000 0.292 88 G C -2.315 172.531 174.900 -0.090 0.000 1.427 88 G CA -0.447 44.513 45.100 -0.234 0.000 0.792 88 G HN 0.783 nan 8.290 nan 0.000 0.498 89 Y N -2.291 117.823 120.300 -0.311 0.000 2.677 89 Y HA 0.831 5.381 4.550 -0.000 0.000 0.334 89 Y C -0.865 174.916 175.900 -0.197 0.000 1.196 89 Y CA -0.908 57.095 58.100 -0.163 0.000 1.059 89 Y CB 1.564 40.010 38.460 -0.024 0.000 1.315 89 Y HN 0.974 nan 8.280 nan 0.000 0.455 90 T N 1.660 116.338 114.554 0.206 0.000 2.879 90 T HA 0.696 5.046 4.350 -0.000 0.000 0.290 90 T C -0.631 174.235 174.700 0.276 0.000 0.993 90 T CA 0.268 62.466 62.100 0.163 0.000 0.975 90 T CB 0.831 69.784 68.868 0.141 0.000 0.981 90 T HN 1.396 nan 8.240 nan 0.000 0.439 91 S N 4.515 120.383 115.700 0.279 0.000 2.788 91 S HA 0.561 5.031 4.470 -0.000 0.000 0.291 91 S C 1.206 175.910 174.600 0.172 0.000 1.061 91 S CA -0.960 57.370 58.200 0.217 0.000 0.923 91 S CB 0.994 64.355 63.200 0.269 0.000 1.339 91 S HN 0.721 nan 8.310 nan 0.000 0.591 92 R N 0.350 120.947 120.500 0.161 0.000 2.093 92 R HA 0.225 4.565 4.340 -0.000 0.000 0.224 92 R C 1.451 177.836 176.300 0.142 0.000 1.101 92 R CA 1.174 57.325 56.100 0.085 0.000 0.979 92 R CB -0.132 30.145 30.300 -0.039 0.000 0.877 92 R HN 0.685 nan 8.270 nan 0.000 0.441 93 E N -0.622 119.736 120.200 0.264 0.000 2.601 93 E HA 0.077 4.427 4.350 -0.000 0.000 0.219 93 E C -0.247 176.587 176.600 0.389 0.000 0.964 93 E CA -0.068 56.544 56.400 0.354 0.000 1.050 93 E CB 1.101 31.020 29.700 0.365 0.000 1.068 93 E HN 0.096 nan 8.360 nan 0.000 0.496 94 Q N 0.401 120.399 119.800 0.330 0.000 2.345 94 Q HA 0.334 4.674 4.340 -0.000 0.000 0.275 94 Q C -1.408 174.700 176.000 0.181 0.000 1.063 94 Q CA -0.386 55.581 55.803 0.273 0.000 0.819 94 Q CB 2.399 31.347 28.738 0.350 0.000 1.356 94 Q HN -0.094 nan 8.270 nan 0.000 0.418 95 T N 0.861 115.399 114.554 -0.025 0.000 2.901 95 T HA 0.951 5.301 4.350 -0.000 0.000 0.293 95 T C -1.537 172.707 174.700 -0.760 0.000 1.084 95 T CA -0.459 61.426 62.100 -0.357 0.000 1.008 95 T CB 1.746 70.492 68.868 -0.204 0.000 1.170 95 T HN 0.714 nan 8.240 nan 0.000 0.509 96 A N 1.476 123.500 122.820 -1.326 0.000 2.577 96 A HA 0.751 5.071 4.320 -0.000 0.000 0.297 96 A C -2.079 174.720 177.584 -1.307 0.000 1.060 96 A CA -0.785 50.417 52.037 -1.391 0.000 0.697 96 A CB 0.945 18.870 19.000 -1.792 0.000 1.281 96 A HN 0.672 nan 8.150 nan 0.000 0.402 97 F N 2.036 121.691 119.950 -0.491 0.000 2.539 97 F HA 0.626 5.153 4.527 -0.000 0.000 0.328 97 F C -0.317 175.511 175.800 0.047 0.000 1.148 97 F CA -0.373 57.538 58.000 -0.148 0.000 0.940 97 F CB 1.769 40.735 39.000 -0.057 0.000 1.194 97 F HN 0.674 nan 8.300 nan 0.000 0.438 98 Y N 1.194 121.657 120.300 0.271 0.000 2.581 98 Y HA 0.898 5.448 4.550 -0.000 0.000 0.345 98 Y C -1.550 174.495 175.900 0.242 0.000 1.036 98 Y CA -1.974 56.230 58.100 0.174 0.000 1.042 98 Y CB 1.493 39.946 38.460 -0.012 0.000 1.289 98 Y HN 0.399 nan 8.280 nan 0.000 0.471 99 I N 2.435 123.153 120.570 0.247 0.000 2.608 99 I HA 0.420 4.590 4.170 -0.000 0.000 0.295 99 I C -0.988 175.197 176.117 0.114 0.000 1.049 99 I CA -1.147 60.156 61.300 0.005 0.000 1.063 99 I CB 2.449 40.238 38.000 -0.352 0.000 1.248 99 I HN 0.611 nan 8.210 nan 0.000 0.424 100 K N 4.562 125.012 120.400 0.084 0.000 2.206 100 K HA 0.880 5.200 4.320 -0.000 0.000 0.264 100 K C -0.768 175.779 176.600 -0.089 0.000 0.967 100 K CA -0.398 55.907 56.287 0.031 0.000 0.844 100 K CB 2.390 34.911 32.500 0.035 0.000 1.099 100 K HN 0.746 nan 8.250 nan 0.000 0.441 101 A N 2.354 125.124 122.820 -0.084 0.000 2.457 101 A HA 0.408 4.727 4.320 -0.000 0.000 0.305 101 A C -1.728 175.812 177.584 -0.074 0.000 1.110 101 A CA -0.898 51.077 52.037 -0.104 0.000 0.616 101 A CB 0.431 19.369 19.000 -0.103 0.000 1.371 101 A HN 0.545 nan 8.150 nan 0.000 0.525 102 L N 1.486 122.668 121.223 -0.069 0.000 2.360 102 L HA 0.239 4.579 4.340 -0.000 0.000 0.276 102 L C 1.477 178.325 176.870 -0.036 0.000 1.121 102 L CA -0.247 54.563 54.840 -0.049 0.000 0.845 102 L CB 1.070 43.101 42.059 -0.047 0.000 1.143 102 L HN 0.790 nan 8.230 nan 0.000 0.452 103 S N 1.472 117.157 115.700 -0.025 0.000 2.423 103 S HA -0.249 4.221 4.470 -0.000 0.000 0.238 103 S C 1.806 176.397 174.600 -0.015 0.000 1.028 103 S CA 1.477 59.669 58.200 -0.014 0.000 1.000 103 S CB -0.257 62.938 63.200 -0.008 0.000 0.797 103 S HN 0.660 nan 8.310 nan 0.000 0.487 104 K N 0.938 121.326 120.400 -0.020 0.000 2.442 104 K HA -0.142 4.178 4.320 -0.000 0.000 0.199 104 K C 0.183 176.768 176.600 -0.023 0.000 1.044 104 K CA 1.399 57.674 56.287 -0.019 0.000 0.941 104 K CB 0.036 32.522 32.500 -0.022 0.000 0.759 104 K HN 0.275 nan 8.250 nan 0.000 0.472 105 D N 0.064 120.445 120.400 -0.031 0.000 2.469 105 D HA -0.060 4.580 4.640 -0.000 0.000 0.215 105 D C 1.435 177.712 176.300 -0.038 0.000 1.154 105 D CA -0.116 53.860 54.000 -0.040 0.000 0.832 105 D CB 0.256 41.020 40.800 -0.059 0.000 1.008 105 D HN 0.180 nan 8.370 nan 0.000 0.506 106 M N 2.360 121.947 119.600 -0.022 0.000 2.128 106 M HA -0.151 4.329 4.480 -0.000 0.000 0.253 106 M C -1.277 175.018 176.300 -0.008 0.000 1.079 106 M CA 2.146 57.442 55.300 -0.007 0.000 1.082 106 M CB -1.353 31.254 32.600 0.010 0.000 1.335 106 M HN -0.056 nan 8.290 nan 0.000 0.401 107 P HA -0.152 nan 4.420 nan 0.000 0.215 107 P C 1.350 178.616 177.300 -0.058 0.000 1.157 107 P CA 1.736 64.834 63.100 -0.003 0.000 0.859 107 P CB -0.358 31.355 31.700 0.021 0.000 0.786 108 K N 0.545 120.907 120.400 -0.064 0.000 2.097 108 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 108 K C 1.968 178.483 176.600 -0.142 0.000 1.049 108 K CA 1.301 57.529 56.287 -0.099 0.000 0.933 108 K CB -1.085 31.368 32.500 -0.078 0.000 0.717 108 K HN -0.140 nan 8.250 nan 0.000 0.442 109 V N 0.245 120.088 119.914 -0.120 0.000 2.261 109 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 109 V C 2.269 178.295 176.094 -0.112 0.000 1.047 109 V CA 1.832 64.052 62.300 -0.133 0.000 1.015 109 V CB -0.441 31.320 31.823 -0.104 0.000 0.642 109 V HN 0.198 nan 8.190 nan 0.000 0.446 110 V N 0.105 119.972 119.914 -0.077 0.000 2.453 110 V HA -0.331 3.789 4.120 -0.000 0.000 0.252 110 V C 2.480 178.409 176.094 -0.275 0.000 1.068 110 V CA 2.424 64.707 62.300 -0.029 0.000 1.070 110 V CB -0.631 31.224 31.823 0.053 0.000 0.664 110 V HN 0.710 nan 8.190 nan 0.000 0.461 111 E N -0.139 119.746 120.200 -0.525 0.000 2.072 111 E HA -0.173 4.177 4.350 -0.000 0.000 0.190 111 E C 2.251 178.653 176.600 -0.330 0.000 0.982 111 E CA 1.043 56.949 56.400 -0.824 0.000 0.803 111 E CB -0.062 29.184 29.700 -0.757 0.000 0.755 111 E HN 0.586 nan 8.360 nan 0.000 0.453 112 L N 0.683 121.801 121.223 -0.174 0.000 2.017 112 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 112 L C 2.627 179.550 176.870 0.089 0.000 1.073 112 L CA 0.860 55.700 54.840 -0.000 0.000 0.745 112 L CB -0.388 41.638 42.059 -0.054 0.000 0.894 112 L HN 0.233 nan 8.230 nan 0.000 0.432 113 L N -0.373 120.883 121.223 0.055 0.000 1.970 113 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 113 L C 2.913 179.861 176.870 0.130 0.000 1.071 113 L CA 1.434 56.389 54.840 0.192 0.000 0.751 113 L CB -0.878 41.350 42.059 0.281 0.000 0.889 113 L HN 0.259 nan 8.230 nan 0.000 0.432 114 A N -0.239 122.517 122.820 -0.106 0.000 1.948 114 A HA -0.326 3.993 4.320 -0.000 0.000 0.220 114 A C 1.957 179.447 177.584 -0.156 0.000 1.177 114 A CA 2.365 54.143 52.037 -0.432 0.000 0.636 114 A CB -0.737 17.530 19.000 -1.222 0.000 0.815 114 A HN 0.500 nan 8.150 nan 0.000 0.449 115 D N -0.847 119.494 120.400 -0.098 0.000 2.178 115 D HA -0.079 4.561 4.640 -0.000 0.000 0.202 115 D C 1.796 178.071 176.300 -0.042 0.000 0.974 115 D CA 1.276 55.252 54.000 -0.039 0.000 0.841 115 D CB -0.028 40.780 40.800 0.014 0.000 0.953 115 D HN 0.177 nan 8.370 nan 0.000 0.478 116 V N 0.362 120.264 119.914 -0.020 0.000 2.283 116 V HA -0.186 3.934 4.120 -0.000 0.000 0.243 116 V C 2.666 178.657 176.094 -0.172 0.000 1.039 116 V CA 1.686 63.911 62.300 -0.125 0.000 1.016 116 V CB -0.541 31.259 31.823 -0.038 0.000 0.650 116 V HN 0.331 nan 8.190 nan 0.000 0.449 117 V N -1.924 117.927 119.914 -0.106 0.000 2.970 117 V HA -0.158 3.962 4.120 -0.000 0.000 0.260 117 V C 1.818 177.976 176.094 0.106 0.000 1.100 117 V CA 1.684 63.958 62.300 -0.043 0.000 1.122 117 V CB -0.528 31.288 31.823 -0.012 0.000 0.721 117 V HN 0.597 nan 8.190 nan 0.000 0.483 118 Q N 0.351 120.184 119.800 0.054 0.000 2.442 118 Q HA 0.264 4.604 4.340 -0.000 0.000 0.228 118 Q C 0.443 176.453 176.000 0.018 0.000 0.902 118 Q CA 0.574 56.411 55.803 0.057 0.000 0.933 118 Q CB 0.339 29.101 28.738 0.040 0.000 1.071 118 Q HN 0.622 nan 8.270 nan 0.000 0.562 119 N N 0.499 119.189 118.700 -0.017 0.000 2.660 119 N HA 0.129 4.869 4.740 -0.000 0.000 0.316 119 N C -1.114 174.356 175.510 -0.066 0.000 1.774 119 N CA -0.074 52.956 53.050 -0.033 0.000 0.946 119 N CB 0.917 39.388 38.487 -0.028 0.000 1.322 119 N HN 0.120 nan 8.380 nan 0.000 0.492 120 C N 0.845 120.101 119.300 -0.073 0.000 2.634 120 C HA 0.298 4.758 4.460 -0.000 0.000 0.418 120 C C 2.128 177.066 174.990 -0.087 0.000 1.373 120 C CA -0.162 58.789 59.018 -0.111 0.000 1.756 120 C CB -0.576 27.103 27.740 -0.101 0.000 2.589 120 C HN 0.673 nan 8.230 nan 0.000 0.602 121 A N 5.079 127.839 122.820 -0.098 0.000 1.972 121 A HA 0.050 4.370 4.320 -0.000 0.000 0.219 121 A C 1.481 179.030 177.584 -0.058 0.000 1.169 121 A CA 1.220 53.216 52.037 -0.068 0.000 0.635 121 A CB -0.620 18.342 19.000 -0.064 0.000 0.810 121 A HN 1.251 nan 8.150 nan 0.000 0.446 122 L N -0.574 120.610 121.223 -0.065 0.000 3.739 122 L HA -0.189 4.150 4.340 -0.000 0.000 0.442 122 L C -0.166 176.674 176.870 -0.049 0.000 1.241 122 L CA -0.070 54.733 54.840 -0.061 0.000 0.819 122 L CB -1.676 40.340 42.059 -0.072 0.000 1.679 122 L HN 0.447 nan 8.230 nan 0.000 0.889 123 E N 0.677 120.856 120.200 -0.035 0.000 2.614 123 E HA -0.069 4.281 4.350 -0.000 0.000 0.245 123 E C 1.106 177.694 176.600 -0.020 0.000 1.039 123 E CA 0.397 56.784 56.400 -0.023 0.000 0.948 123 E CB 0.912 30.606 29.700 -0.011 0.000 0.937 123 E HN 0.273 nan 8.360 nan 0.000 0.498 124 E N 2.544 122.729 120.200 -0.025 0.000 2.169 124 E HA -0.274 4.076 4.350 -0.000 0.000 0.202 124 E C 1.443 178.037 176.600 -0.010 0.000 1.016 124 E CA 2.145 58.529 56.400 -0.026 0.000 0.817 124 E CB -0.088 29.599 29.700 -0.023 0.000 0.736 124 E HN 0.551 nan 8.360 nan 0.000 0.462 125 S N -0.861 114.839 115.700 -0.001 0.000 2.414 125 S HA -0.134 4.336 4.470 -0.000 0.000 0.227 125 S C 2.049 176.662 174.600 0.022 0.000 1.022 125 S CA 0.885 59.091 58.200 0.010 0.000 0.958 125 S CB -0.305 62.900 63.200 0.009 0.000 0.797 125 S HN 0.220 nan 8.310 nan 0.000 0.493 126 Q N 1.494 121.307 119.800 0.023 0.000 2.167 126 Q HA 0.139 4.478 4.340 -0.000 0.000 0.202 126 Q C 1.837 177.882 176.000 0.074 0.000 0.970 126 Q CA 1.390 57.217 55.803 0.039 0.000 0.855 126 Q CB -0.654 28.101 28.738 0.029 0.000 0.911 126 Q HN 0.689 nan 8.270 nan 0.000 0.438 127 I N 0.456 121.064 120.570 0.064 0.000 2.179 127 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 127 I C 1.848 178.067 176.117 0.170 0.000 1.088 127 I CA 1.234 62.601 61.300 0.112 0.000 1.357 127 I CB -0.217 37.757 38.000 -0.043 0.000 1.051 127 I HN 0.232 nan 8.210 nan 0.000 0.409 128 E N 0.594 120.846 120.200 0.086 0.000 2.204 128 E HA -0.203 4.146 4.350 -0.000 0.000 0.194 128 E C 1.967 178.607 176.600 0.068 0.000 0.989 128 E CA 0.702 57.149 56.400 0.079 0.000 0.824 128 E CB -0.259 29.465 29.700 0.040 0.000 0.756 128 E HN 0.369 nan 8.360 nan 0.000 0.477 129 K N 1.099 121.536 120.400 0.061 0.000 2.103 129 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 129 K C 1.509 178.127 176.600 0.029 0.000 1.052 129 K CA 0.821 57.131 56.287 0.040 0.000 0.945 129 K CB 0.298 32.820 32.500 0.037 0.000 0.722 129 K HN -0.040 nan 8.250 nan 0.000 0.443 130 E N 0.534 120.766 120.200 0.054 0.000 2.285 130 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 130 E C 1.994 178.460 176.600 -0.224 0.000 0.997 130 E CA 0.357 56.738 56.400 -0.032 0.000 0.845 130 E CB -0.098 29.625 29.700 0.037 0.000 0.782 130 E HN 0.295 nan 8.360 nan 0.000 0.491 131 R N 0.530 120.995 120.500 -0.059 0.000 2.096 131 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 131 R C 2.204 178.421 176.300 -0.139 0.000 1.127 131 R CA 1.585 57.630 56.100 -0.092 0.000 0.968 131 R CB -0.326 30.063 30.300 0.148 0.000 0.861 131 R HN 0.178 nan 8.270 nan 0.000 0.440 132 G N -0.579 108.177 108.800 -0.074 0.000 2.464 132 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.217 132 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.217 132 G C 1.321 176.177 174.900 -0.072 0.000 1.138 132 G CA 0.327 45.391 45.100 -0.061 0.000 0.793 132 G HN 0.190 nan 8.290 nan 0.000 0.539 133 V N 1.237 121.100 119.914 -0.085 0.000 2.323 133 V HA -0.083 4.037 4.120 -0.000 0.000 0.244 133 V C 2.762 178.805 176.094 -0.084 0.000 1.041 133 V CA 1.290 63.559 62.300 -0.051 0.000 1.025 133 V CB -0.342 31.483 31.823 0.003 0.000 0.656 133 V HN 0.370 nan 8.190 nan 0.000 0.451 134 I N -0.259 120.156 120.570 -0.258 0.000 2.208 134 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 134 I C 2.306 178.343 176.117 -0.134 0.000 1.097 134 I CA 1.617 62.743 61.300 -0.291 0.000 1.363 134 I CB -0.371 37.255 38.000 -0.623 0.000 1.051 134 I HN 0.269 nan 8.210 nan 0.000 0.413 135 L N 0.022 121.162 121.223 -0.138 0.000 2.191 135 L HA -0.203 4.136 4.340 -0.000 0.000 0.212 135 L C 2.594 179.433 176.870 -0.051 0.000 1.103 135 L CA 0.956 55.744 54.840 -0.086 0.000 0.769 135 L CB -0.466 41.546 42.059 -0.079 0.000 0.908 135 L HN 0.359 nan 8.230 nan 0.000 0.438 136 Q N -0.134 119.643 119.800 -0.038 0.000 2.212 136 Q HA -0.111 4.229 4.340 -0.000 0.000 0.199 136 Q C 1.916 177.914 176.000 -0.004 0.000 0.950 136 Q CA 0.975 56.767 55.803 -0.018 0.000 0.863 136 Q CB 0.139 28.871 28.738 -0.010 0.000 0.944 136 Q HN 0.591 nan 8.270 nan 0.000 0.465 137 E N 0.275 120.484 120.200 0.015 0.000 2.208 137 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 137 E C 2.002 178.608 176.600 0.010 0.000 0.988 137 E CA 0.270 56.695 56.400 0.042 0.000 0.828 137 E CB 0.094 29.871 29.700 0.128 0.000 0.763 137 E HN 0.251 nan 8.360 nan 0.000 0.478 138 L N 0.846 122.059 121.223 -0.016 0.000 2.141 138 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 138 L C 2.188 179.031 176.870 -0.045 0.000 1.094 138 L CA 1.141 55.952 54.840 -0.049 0.000 0.763 138 L CB -0.151 41.870 42.059 -0.064 0.000 0.908 138 L HN 0.040 nan 8.230 nan 0.000 0.437 139 K N -0.236 120.145 120.400 -0.032 0.000 2.228 139 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 139 K C 1.882 178.467 176.600 -0.026 0.000 1.051 139 K CA 0.803 57.073 56.287 -0.029 0.000 0.960 139 K CB 0.096 32.583 32.500 -0.022 0.000 0.743 139 K HN 0.350 nan 8.250 nan 0.000 0.458 140 E N 0.828 121.017 120.200 -0.019 0.000 2.046 140 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 140 E C 1.902 178.486 176.600 -0.026 0.000 0.982 140 E CA 1.123 57.514 56.400 -0.015 0.000 0.800 140 E CB -0.038 29.661 29.700 -0.002 0.000 0.756 140 E HN 0.233 nan 8.360 nan 0.000 0.449 141 M N 0.856 120.437 119.600 -0.033 0.000 2.446 141 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 141 M C 1.327 177.581 176.300 -0.076 0.000 1.066 141 M CA 0.886 56.154 55.300 -0.053 0.000 1.087 141 M CB -0.049 32.512 32.600 -0.065 0.000 1.406 141 M HN -0.044 nan 8.290 nan 0.000 0.459 142 D N 0.621 120.979 120.400 -0.071 0.000 2.348 142 D HA -0.072 4.568 4.640 -0.000 0.000 0.216 142 D C 1.233 177.487 176.300 -0.077 0.000 0.970 142 D CA 0.810 54.760 54.000 -0.082 0.000 0.889 142 D CB 0.069 40.833 40.800 -0.061 0.000 0.912 142 D HN 0.269 nan 8.370 nan 0.000 0.524 143 N N -0.005 118.658 118.700 -0.061 0.000 2.236 143 N HA -0.053 4.687 4.740 -0.000 0.000 0.196 143 N C -0.196 175.274 175.510 -0.066 0.000 1.114 143 N CA 0.116 53.134 53.050 -0.054 0.000 0.859 143 N CB 0.516 38.984 38.487 -0.032 0.000 0.982 143 N HN 0.123 nan 8.380 nan 0.000 0.493 144 D N 1.925 122.278 120.400 -0.079 0.000 2.522 144 D HA 0.097 4.737 4.640 -0.000 0.000 0.218 144 D C 1.443 177.656 176.300 -0.144 0.000 1.149 144 D CA -0.293 53.659 54.000 -0.080 0.000 0.981 144 D CB 0.419 41.183 40.800 -0.060 0.000 1.041 144 D HN -0.147 nan 8.370 nan 0.000 0.518 145 M N 1.030 120.489 119.600 -0.234 0.000 2.116 145 M HA -0.198 4.282 4.480 -0.000 0.000 0.255 145 M C 1.826 177.868 176.300 -0.429 0.000 1.075 145 M CA 1.462 56.475 55.300 -0.478 0.000 1.087 145 M CB -1.491 30.505 32.600 -1.006 0.000 1.340 145 M HN 0.244 nan 8.290 nan 0.000 0.402 146 T N 1.001 115.431 114.554 -0.207 0.000 2.720 146 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 146 T C 1.682 176.445 174.700 0.104 0.000 1.037 146 T CA 1.490 63.648 62.100 0.097 0.000 1.144 146 T CB -0.289 68.686 68.868 0.178 0.000 0.864 146 T HN 0.363 nan 8.240 nan 0.000 0.444 147 N N 0.677 119.379 118.700 0.002 0.000 2.354 147 N HA 0.025 4.765 4.740 -0.000 0.000 0.179 147 N C 1.918 177.387 175.510 -0.069 0.000 1.021 147 N CA 0.461 53.505 53.050 -0.009 0.000 0.887 147 N CB -0.238 38.207 38.487 -0.069 0.000 0.974 147 N HN 0.225 nan 8.380 nan 0.000 0.437 148 V N 1.029 120.844 119.914 -0.165 0.000 2.358 148 V HA -0.152 3.968 4.120 -0.000 0.000 0.246 148 V C 2.201 178.082 176.094 -0.356 0.000 1.047 148 V CA 1.586 63.681 62.300 -0.341 0.000 1.035 148 V CB -0.797 30.817 31.823 -0.350 0.000 0.658 148 V HN 0.287 nan 8.190 nan 0.000 0.452 149 T N -0.035 114.428 114.554 -0.152 0.000 2.777 149 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 149 T C 1.667 176.323 174.700 -0.073 0.000 1.040 149 T CA 1.637 63.699 62.100 -0.062 0.000 1.141 149 T CB -0.358 68.500 68.868 -0.017 0.000 0.868 149 T HN 0.373 nan 8.240 nan 0.000 0.444 150 F N 1.542 121.448 119.950 -0.074 0.000 2.259 150 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 150 F C 2.341 178.219 175.800 0.130 0.000 1.088 150 F CA 0.718 58.713 58.000 -0.008 0.000 1.358 150 F CB -0.245 38.701 39.000 -0.089 0.000 1.040 150 F HN 0.075 nan 8.300 nan 0.000 0.505 151 D N -0.689 119.811 120.400 0.166 0.000 2.097 151 D HA -0.214 4.425 4.640 -0.000 0.000 0.195 151 D C 2.267 178.701 176.300 0.222 0.000 0.989 151 D CA 1.471 55.535 54.000 0.105 0.000 0.827 151 D CB -0.653 40.091 40.800 -0.093 0.000 0.966 151 D HN 0.344 nan 8.370 nan 0.000 0.456 152 Y N 0.220 120.563 120.300 0.072 0.000 2.165 152 Y HA -0.206 4.344 4.550 -0.000 0.000 0.286 152 Y C 2.429 178.347 175.900 0.030 0.000 1.155 152 Y CA -0.132 57.987 58.100 0.032 0.000 1.164 152 Y CB -0.074 38.381 38.460 -0.009 0.000 0.978 152 Y HN -0.024 nan 8.280 nan 0.000 0.513 153 L N 0.015 121.351 121.223 0.188 0.000 2.042 153 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 153 L C 1.881 178.789 176.870 0.063 0.000 1.076 153 L CA 2.050 56.922 54.840 0.053 0.000 0.749 153 L CB -0.762 41.270 42.059 -0.046 0.000 0.893 153 L HN 0.166 nan 8.230 nan 0.000 0.432 154 H N -0.934 118.242 119.070 0.177 0.000 2.395 154 H HA 0.099 4.655 4.556 -0.000 0.000 0.299 154 H C 2.195 177.646 175.328 0.205 0.000 1.070 154 H CA 1.279 57.496 56.048 0.283 0.000 1.356 154 H CB -0.304 29.660 29.762 0.337 0.000 1.401 154 H HN 0.484 nan 8.280 nan 0.000 0.524 155 A N -0.548 122.442 122.820 0.284 0.000 1.940 155 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 155 A C 2.401 180.028 177.584 0.071 0.000 1.176 155 A CA 2.380 54.526 52.037 0.181 0.000 0.631 155 A CB -0.860 18.260 19.000 0.199 0.000 0.814 155 A HN 0.466 nan 8.150 nan 0.000 0.446 156 T N -1.732 112.822 114.554 -0.000 0.000 3.021 156 T HA 0.295 4.645 4.350 -0.000 0.000 0.245 156 T C 2.018 176.570 174.700 -0.248 0.000 1.028 156 T CA 1.247 63.281 62.100 -0.111 0.000 1.139 156 T CB -0.361 68.428 68.868 -0.132 0.000 0.884 156 T HN 0.493 nan 8.240 nan 0.000 0.457 157 A N 0.111 122.718 122.820 -0.355 0.000 1.978 157 A HA 0.127 4.447 4.320 -0.000 0.000 0.220 157 A C 1.255 178.308 177.584 -0.884 0.000 1.170 157 A CA 1.173 52.725 52.037 -0.808 0.000 0.636 157 A CB -0.625 17.899 19.000 -0.792 0.000 0.810 157 A HN 0.629 nan 8.150 nan 0.000 0.448 158 F N 0.251 120.150 119.950 -0.086 0.000 2.805 158 F HA 0.172 4.699 4.527 -0.000 0.000 0.317 158 F C 0.645 176.434 175.800 -0.018 0.000 1.146 158 F CA -0.747 57.245 58.000 -0.013 0.000 1.265 158 F CB 0.157 39.203 39.000 0.077 0.000 0.992 158 F HN 0.307 nan 8.300 nan 0.000 0.511 159 Q N 0.128 119.955 119.800 0.046 0.000 2.333 159 Q HA 0.285 4.625 4.340 -0.000 0.000 0.299 159 Q C 1.184 177.208 176.000 0.041 0.000 1.067 159 Q CA 0.852 56.672 55.803 0.028 0.000 0.943 159 Q CB 0.618 29.332 28.738 -0.040 0.000 1.233 159 Q HN 0.522 nan 8.270 nan 0.000 0.401 160 G N 1.520 110.343 108.800 0.039 0.000 2.253 160 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.251 160 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.251 160 G C 0.321 175.248 174.900 0.044 0.000 0.998 160 G CA 0.545 45.664 45.100 0.033 0.000 0.621 160 G HN 1.197 nan 8.290 nan 0.000 0.524 161 T N -3.208 111.387 114.554 0.068 0.000 2.844 161 T HA 0.827 5.177 4.350 -0.000 0.000 0.274 161 T C 1.622 176.337 174.700 0.026 0.000 0.991 161 T CA 0.652 62.782 62.100 0.051 0.000 0.983 161 T CB 1.469 70.380 68.868 0.073 0.000 1.310 161 T HN 1.293 nan 8.240 nan 0.000 0.596 162 A N -0.197 122.607 122.820 -0.026 0.000 1.930 162 A HA 0.244 4.564 4.320 -0.000 0.000 0.215 162 A C 2.264 179.795 177.584 -0.088 0.000 1.176 162 A CA 0.722 52.723 52.037 -0.059 0.000 0.632 162 A CB -1.128 17.811 19.000 -0.102 0.000 0.819 162 A HN 0.757 nan 8.150 nan 0.000 0.445 163 L N -0.422 120.705 121.223 -0.160 0.000 2.633 163 L HA -0.097 4.243 4.340 -0.000 0.000 0.235 163 L C 2.635 179.550 176.870 0.076 0.000 1.163 163 L CA 0.432 55.143 54.840 -0.214 0.000 0.859 163 L CB -0.238 41.414 42.059 -0.677 0.000 0.973 163 L HN 0.464 nan 8.230 nan 0.000 0.451 164 A N -0.329 122.567 122.820 0.126 0.000 2.016 164 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 164 A C 1.285 178.939 177.584 0.116 0.000 1.162 164 A CA 0.279 52.429 52.037 0.189 0.000 0.662 164 A CB -0.082 19.004 19.000 0.145 0.000 0.812 164 A HN 0.256 nan 8.150 nan 0.000 0.450 165 R N 0.815 121.343 120.500 0.048 0.000 2.582 165 R HA 0.326 4.666 4.340 -0.000 0.000 0.271 165 R C 0.254 176.542 176.300 -0.019 0.000 1.078 165 R CA 0.462 56.572 56.100 0.016 0.000 1.127 165 R CB 0.263 30.563 30.300 0.000 0.000 1.038 165 R HN 0.439 nan 8.270 nan 0.000 0.500 166 T N -2.338 112.194 114.554 -0.037 0.000 2.899 166 T HA 0.125 4.475 4.350 -0.000 0.000 0.284 166 T C 1.485 176.117 174.700 -0.114 0.000 1.004 166 T CA -0.964 61.084 62.100 -0.087 0.000 1.043 166 T CB 1.200 70.007 68.868 -0.100 0.000 1.013 166 T HN 0.222 nan 8.240 nan 0.000 0.518 167 V N 1.736 121.560 119.914 -0.150 0.000 2.358 167 V HA -0.084 4.036 4.120 -0.000 0.000 0.246 167 V C 2.632 178.562 176.094 -0.273 0.000 1.047 167 V CA 1.842 64.052 62.300 -0.150 0.000 1.035 167 V CB -1.020 30.731 31.823 -0.120 0.000 0.658 167 V HN 0.872 nan 8.190 nan 0.000 0.452 168 E N 0.417 120.336 120.200 -0.468 0.000 2.268 168 E HA 0.232 4.582 4.350 -0.000 0.000 0.195 168 E C 1.170 177.593 176.600 -0.295 0.000 0.995 168 E CA 0.794 56.760 56.400 -0.722 0.000 0.836 168 E CB -0.430 28.835 29.700 -0.725 0.000 0.763 168 E HN 0.675 nan 8.360 nan 0.000 0.491 169 G N -0.616 108.079 108.800 -0.174 0.000 2.756 169 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.678 169 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.678 169 G C -0.068 174.794 174.900 -0.062 0.000 1.349 169 G CA -0.488 44.564 45.100 -0.080 0.000 0.847 169 G HN 0.082 nan 8.290 nan 0.000 0.548 170 T N 0.236 114.776 114.554 -0.024 0.000 2.828 170 T HA 0.489 4.839 4.350 -0.000 0.000 0.290 170 T C 1.936 176.626 174.700 -0.018 0.000 1.019 170 T CA 0.584 62.676 62.100 -0.013 0.000 1.031 170 T CB 1.196 70.070 68.868 0.011 0.000 1.001 170 T HN 0.756 nan 8.240 nan 0.000 0.531 171 T N 1.558 116.101 114.554 -0.019 0.000 2.777 171 T HA -0.093 4.256 4.350 -0.000 0.000 0.266 171 T C 2.026 176.706 174.700 -0.034 0.000 1.040 171 T CA 0.920 63.000 62.100 -0.033 0.000 1.141 171 T CB -0.108 68.743 68.868 -0.027 0.000 0.868 171 T HN 0.496 nan 8.240 nan 0.000 0.444 172 E N 1.452 121.653 120.200 0.002 0.000 2.058 172 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 172 E C 2.244 178.873 176.600 0.049 0.000 0.997 172 E CA 1.075 57.499 56.400 0.041 0.000 0.801 172 E CB -0.519 29.244 29.700 0.106 0.000 0.746 172 E HN 0.357 nan 8.360 nan 0.000 0.450 173 N N 0.698 119.432 118.700 0.057 0.000 2.069 173 N HA -0.104 4.636 4.740 -0.000 0.000 0.191 173 N C 2.024 177.579 175.510 0.075 0.000 1.031 173 N CA 0.817 53.913 53.050 0.076 0.000 0.852 173 N CB -0.385 38.138 38.487 0.061 0.000 1.018 173 N HN 0.167 nan 8.380 nan 0.000 0.423 174 I N 0.721 121.319 120.570 0.047 0.000 2.361 174 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 174 I C 1.653 177.796 176.117 0.042 0.000 1.133 174 I CA 1.150 62.497 61.300 0.078 0.000 1.413 174 I CB -0.067 37.908 38.000 -0.040 0.000 1.073 174 I HN 0.134 nan 8.210 nan 0.000 0.424 175 K N -0.629 119.694 120.400 -0.128 0.000 2.365 175 K HA -0.023 4.297 4.320 -0.000 0.000 0.197 175 K C 1.053 177.364 176.600 -0.482 0.000 1.042 175 K CA 0.708 56.797 56.287 -0.330 0.000 0.987 175 K CB 0.158 32.345 32.500 -0.523 0.000 0.779 175 K HN 0.403 nan 8.250 nan 0.000 0.484 176 H N -0.659 118.442 119.070 0.052 0.000 3.233 176 H HA 0.196 4.752 4.556 -0.000 0.000 0.263 176 H C -0.016 175.311 175.328 -0.003 0.000 1.168 176 H CA -0.317 55.745 56.048 0.022 0.000 1.159 176 H CB 0.400 30.169 29.762 0.013 0.000 1.593 176 H HN -0.011 nan 8.280 nan 0.000 0.580 177 L N 2.108 123.375 121.223 0.074 0.000 2.490 177 L HA 0.045 4.385 4.340 -0.000 0.000 0.274 177 L C 0.523 177.312 176.870 -0.136 0.000 1.201 177 L CA 0.648 55.464 54.840 -0.041 0.000 0.869 177 L CB 0.601 42.600 42.059 -0.100 0.000 1.123 177 L HN 0.015 nan 8.230 nan 0.000 0.484 178 T N 3.094 117.574 114.554 -0.123 0.000 2.929 178 T HA 0.178 4.528 4.350 -0.000 0.000 0.284 178 T C 1.092 175.685 174.700 -0.178 0.000 1.014 178 T CA -0.663 61.362 62.100 -0.125 0.000 1.051 178 T CB 1.824 70.654 68.868 -0.063 0.000 1.028 178 T HN 0.542 nan 8.240 nan 0.000 0.485 179 R N 1.406 121.813 120.500 -0.156 0.000 2.117 179 R HA -0.156 4.184 4.340 -0.000 0.000 0.243 179 R C 2.118 178.347 176.300 -0.117 0.000 1.143 179 R CA 1.918 57.928 56.100 -0.150 0.000 0.968 179 R CB -0.850 29.389 30.300 -0.102 0.000 0.863 179 R HN 0.732 nan 8.270 nan 0.000 0.444 180 A N 0.722 123.489 122.820 -0.088 0.000 1.930 180 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 180 A C 1.607 179.154 177.584 -0.061 0.000 1.175 180 A CA 1.747 53.745 52.037 -0.065 0.000 0.627 180 A CB -0.335 18.636 19.000 -0.048 0.000 0.815 180 A HN 0.371 nan 8.150 nan 0.000 0.443 181 D N 0.405 120.763 120.400 -0.070 0.000 2.097 181 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 181 D C 1.885 178.164 176.300 -0.035 0.000 0.984 181 D CA 1.168 55.141 54.000 -0.045 0.000 0.826 181 D CB -0.362 40.404 40.800 -0.057 0.000 0.973 181 D HN 0.447 nan 8.370 nan 0.000 0.460 182 L N 0.627 121.786 121.223 -0.107 0.000 2.017 182 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 182 L C 2.539 179.389 176.870 -0.034 0.000 1.073 182 L CA 1.206 55.989 54.840 -0.095 0.000 0.745 182 L CB -0.711 41.226 42.059 -0.203 0.000 0.894 182 L HN 0.017 nan 8.230 nan 0.000 0.432 183 A N -0.242 122.539 122.820 -0.065 0.000 1.873 183 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 183 A C 2.588 180.136 177.584 -0.059 0.000 1.193 183 A CA 2.385 54.386 52.037 -0.061 0.000 0.629 183 A CB -0.972 17.992 19.000 -0.061 0.000 0.826 183 A HN 0.391 nan 8.150 nan 0.000 0.447 184 S N -2.004 113.670 115.700 -0.043 0.000 2.370 184 S HA -0.242 4.228 4.470 -0.000 0.000 0.226 184 S C 1.876 176.432 174.600 -0.072 0.000 1.033 184 S CA 1.874 60.042 58.200 -0.053 0.000 1.011 184 S CB -0.605 62.579 63.200 -0.026 0.000 0.852 184 S HN 0.646 nan 8.310 nan 0.000 0.457 185 Y N 2.079 122.306 120.300 -0.122 0.000 2.070 185 Y HA -0.160 4.389 4.550 -0.000 0.000 0.280 185 Y C 2.007 177.758 175.900 -0.247 0.000 1.148 185 Y CA 2.106 60.148 58.100 -0.096 0.000 1.125 185 Y CB -0.648 37.765 38.460 -0.079 0.000 0.975 185 Y HN 0.304 nan 8.280 nan 0.000 0.492 186 I N 0.214 120.617 120.570 -0.278 0.000 2.151 186 I HA -0.394 3.776 4.170 -0.000 0.000 0.243 186 I C 2.059 177.941 176.117 -0.391 0.000 1.080 186 I CA 1.859 62.819 61.300 -0.568 0.000 1.339 186 I CB -0.611 37.223 38.000 -0.277 0.000 1.039 186 I HN 0.325 nan 8.210 nan 0.000 0.409 187 D N 0.523 120.781 120.400 -0.237 0.000 2.117 187 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 187 D C 2.217 178.372 176.300 -0.241 0.000 0.987 187 D CA 1.919 55.818 54.000 -0.168 0.000 0.829 187 D CB -0.364 40.366 40.800 -0.117 0.000 0.961 187 D HN 0.366 nan 8.370 nan 0.000 0.460 188 T N 0.204 114.525 114.554 -0.388 0.000 2.821 188 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 188 T C 1.558 175.826 174.700 -0.719 0.000 1.046 188 T CA 1.069 62.830 62.100 -0.565 0.000 1.139 188 T CB -0.025 68.388 68.868 -0.759 0.000 0.871 188 T HN 0.317 nan 8.240 nan 0.000 0.454 189 H N -0.626 118.206 119.070 -0.396 0.000 2.481 189 H HA 0.283 4.839 4.556 -0.000 0.000 0.291 189 H C 0.502 175.820 175.328 -0.018 0.000 1.009 189 H CA -0.198 55.647 56.048 -0.338 0.000 1.282 189 H CB -0.120 29.247 29.762 -0.659 0.000 1.457 189 H HN 0.375 nan 8.280 nan 0.000 0.525 190 F N 3.101 122.995 119.950 -0.092 0.000 2.685 190 F HA 0.151 4.678 4.527 -0.000 0.000 0.349 190 F C 0.320 176.107 175.800 -0.022 0.000 1.294 190 F CA -0.074 57.912 58.000 -0.025 0.000 1.201 190 F CB -0.150 38.857 39.000 0.012 0.000 1.615 190 F HN -0.239 nan 8.300 nan 0.000 0.674 191 K N 1.005 121.492 120.400 0.145 0.000 2.345 191 K HA 0.474 4.794 4.320 -0.000 0.000 0.255 191 K C 0.639 177.269 176.600 0.049 0.000 0.934 191 K CA -0.506 55.825 56.287 0.073 0.000 0.801 191 K CB 2.101 34.614 32.500 0.023 0.000 1.137 191 K HN 0.379 nan 8.250 nan 0.000 0.424 192 A N 5.247 128.094 122.820 0.045 0.000 1.900 192 A HA -0.215 4.105 4.320 -0.000 0.000 0.225 192 A C -0.458 177.127 177.584 0.001 0.000 1.414 192 A CA 2.155 54.202 52.037 0.017 0.000 0.702 192 A CB -1.676 17.340 19.000 0.027 0.000 0.845 192 A HN 0.669 nan 8.150 nan 0.000 0.478 193 P HA -0.150 nan 4.420 nan 0.000 0.221 193 P C 0.864 178.175 177.300 0.019 0.000 1.145 193 P CA 1.388 64.496 63.100 0.013 0.000 0.795 193 P CB -0.203 31.509 31.700 0.019 0.000 0.775 194 R N -1.435 119.078 120.500 0.021 0.000 2.388 194 R HA 0.339 4.679 4.340 -0.000 0.000 0.247 194 R C 1.027 177.337 176.300 0.018 0.000 0.931 194 R CA 0.032 56.147 56.100 0.025 0.000 1.082 194 R CB -0.099 30.213 30.300 0.020 0.000 1.135 194 R HN 0.294 nan 8.270 nan 0.000 0.525 195 M N -0.233 119.368 119.600 0.001 0.000 2.761 195 M HA 0.464 4.944 4.480 -0.000 0.000 0.305 195 M C -0.962 175.326 176.300 -0.019 0.000 1.235 195 M CA -1.133 54.158 55.300 -0.015 0.000 0.850 195 M CB 2.800 35.361 32.600 -0.064 0.000 1.744 195 M HN -0.301 nan 8.290 nan 0.000 0.480 196 V N 2.113 122.032 119.914 0.010 0.000 2.612 196 V HA 0.349 4.469 4.120 -0.000 0.000 0.301 196 V C -1.392 174.730 176.094 0.045 0.000 1.059 196 V CA -0.696 61.615 62.300 0.019 0.000 0.886 196 V CB 2.165 34.020 31.823 0.053 0.000 1.007 196 V HN 0.621 nan 8.190 nan 0.000 0.426 197 L N 5.114 126.312 121.223 -0.042 0.000 2.255 197 L HA 0.850 5.190 4.340 -0.000 0.000 0.289 197 L C 0.295 177.208 176.870 0.072 0.000 1.046 197 L CA 0.251 55.084 54.840 -0.013 0.000 0.816 197 L CB 0.703 42.674 42.059 -0.145 0.000 1.197 197 L HN 0.821 nan 8.230 nan 0.000 0.427 198 A N 4.310 127.230 122.820 0.168 0.000 2.374 198 A HA 1.004 5.324 4.320 -0.000 0.000 0.317 198 A C -0.931 176.735 177.584 0.137 0.000 1.094 198 A CA -0.006 52.081 52.037 0.082 0.000 0.765 198 A CB 1.548 20.486 19.000 -0.104 0.000 1.268 198 A HN 1.044 nan 8.150 nan 0.000 0.438 199 A N 0.135 122.994 122.820 0.065 0.000 2.574 199 A HA 0.937 5.257 4.320 -0.000 0.000 0.297 199 A C -0.584 177.013 177.584 0.023 0.000 1.062 199 A CA 0.081 52.163 52.037 0.075 0.000 0.686 199 A CB 1.289 20.341 19.000 0.087 0.000 1.285 199 A HN 2.579 nan 8.150 nan 0.000 0.403 200 A N 0.083 122.915 122.820 0.019 0.000 2.572 200 A HA 1.056 5.376 4.320 -0.000 0.000 0.295 200 A C 0.270 177.856 177.584 0.003 0.000 1.072 200 A CA 0.264 52.297 52.037 -0.007 0.000 0.691 200 A CB 1.136 20.115 19.000 -0.035 0.000 1.291 200 A HN 2.922 nan 8.150 nan 0.000 0.404 201 G N -0.305 108.493 108.800 -0.004 0.000 2.295 201 G HA2 0.456 4.416 3.960 -0.000 0.000 0.195 201 G HA3 0.456 4.416 3.960 -0.000 0.000 0.195 201 G C 0.312 175.212 174.900 0.000 0.000 1.269 201 G CA 0.012 45.111 45.100 -0.002 0.000 1.170 201 G HN 1.971 nan 8.290 nan 0.000 0.511 202 G N 0.446 109.246 108.800 0.000 0.000 2.977 202 G HA2 0.587 4.547 3.960 -0.000 0.000 0.306 202 G HA3 0.587 4.547 3.960 -0.000 0.000 0.306 202 G C -0.157 174.748 174.900 0.008 0.000 0.885 202 G CA 0.039 45.140 45.100 0.002 0.000 1.649 202 G HN 0.727 nan 8.290 nan 0.000 0.514 203 I N 0.119 120.700 120.570 0.017 0.000 2.769 203 I HA 0.298 4.468 4.170 -0.000 0.000 0.298 203 I C -0.023 176.119 176.117 0.041 0.000 1.128 203 I CA -1.010 60.306 61.300 0.027 0.000 1.031 203 I CB 2.542 40.563 38.000 0.036 0.000 1.235 203 I HN 0.245 nan 8.210 nan 0.000 0.423 204 S N 2.255 117.979 115.700 0.039 0.000 2.474 204 S HA 0.122 4.592 4.470 -0.000 0.000 0.276 204 S C 0.916 175.559 174.600 0.072 0.000 1.227 204 S CA -0.068 58.161 58.200 0.049 0.000 1.050 204 S CB 0.198 63.414 63.200 0.026 0.000 0.939 204 S HN 0.691 nan 8.310 nan 0.000 0.490 205 H N 5.642 124.714 119.070 0.005 0.000 2.353 205 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 205 H C 1.901 177.237 175.328 0.014 0.000 1.090 205 H CA 2.600 58.652 56.048 0.006 0.000 1.327 205 H CB 0.047 29.808 29.762 -0.002 0.000 1.383 205 H HN 0.777 nan 8.280 nan 0.000 0.508 206 K N 0.122 120.468 120.400 -0.089 0.000 2.148 206 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 206 K C 1.961 178.507 176.600 -0.090 0.000 1.050 206 K CA 1.783 57.992 56.287 -0.129 0.000 0.942 206 K CB -0.034 32.446 32.500 -0.033 0.000 0.724 206 K HN 0.394 nan 8.250 nan 0.000 0.446 207 E N 0.535 120.709 120.200 -0.042 0.000 2.158 207 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 207 E C 1.897 178.491 176.600 -0.010 0.000 0.982 207 E CA 0.617 57.008 56.400 -0.016 0.000 0.823 207 E CB -0.016 29.686 29.700 0.003 0.000 0.766 207 E HN 0.251 nan 8.360 nan 0.000 0.468 208 L N 0.605 121.812 121.223 -0.027 0.000 1.988 208 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 208 L C 2.303 179.164 176.870 -0.015 0.000 1.071 208 L CA 1.323 56.163 54.840 0.000 0.000 0.744 208 L CB -0.641 41.428 42.059 0.016 0.000 0.893 208 L HN -0.012 nan 8.230 nan 0.000 0.433 209 V N -0.094 119.740 119.914 -0.133 0.000 2.568 209 V HA -0.280 3.840 4.120 -0.000 0.000 0.253 209 V C 2.114 178.191 176.094 -0.029 0.000 1.072 209 V CA 2.317 64.546 62.300 -0.118 0.000 1.084 209 V CB -0.602 31.060 31.823 -0.268 0.000 0.676 209 V HN 0.592 nan 8.190 nan 0.000 0.469 210 D N 0.396 120.782 120.400 -0.024 0.000 2.091 210 D HA -0.055 4.585 4.640 -0.000 0.000 0.199 210 D C 2.220 178.549 176.300 0.048 0.000 0.980 210 D CA 1.639 55.642 54.000 0.004 0.000 0.831 210 D CB -0.256 40.541 40.800 -0.005 0.000 0.987 210 D HN 0.541 nan 8.370 nan 0.000 0.460 211 A N 1.204 124.076 122.820 0.088 0.000 2.024 211 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 211 A C 2.269 180.025 177.584 0.286 0.000 1.164 211 A CA 2.074 54.225 52.037 0.190 0.000 0.643 211 A CB -0.498 18.609 19.000 0.178 0.000 0.806 211 A HN 0.248 nan 8.150 nan 0.000 0.451 212 A N -0.195 122.765 122.820 0.234 0.000 1.873 212 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 212 A C 2.229 179.976 177.584 0.272 0.000 1.186 212 A CA 1.542 53.793 52.037 0.356 0.000 0.616 212 A CB -0.445 18.690 19.000 0.225 0.000 0.823 212 A HN 0.521 nan 8.150 nan 0.000 0.442 213 R N -0.946 119.631 120.500 0.128 0.000 2.096 213 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 213 R C 2.527 178.834 176.300 0.013 0.000 1.127 213 R CA 1.695 57.834 56.100 0.066 0.000 0.968 213 R CB -0.254 30.058 30.300 0.021 0.000 0.861 213 R HN 0.760 nan 8.270 nan 0.000 0.440 214 Q N -0.733 119.038 119.800 -0.048 0.000 2.079 214 Q HA -0.168 4.172 4.340 -0.000 0.000 0.200 214 Q C 1.100 176.870 176.000 -0.382 0.000 0.974 214 Q CA 1.691 57.347 55.803 -0.245 0.000 0.840 214 Q CB 0.203 28.713 28.738 -0.380 0.000 0.898 214 Q HN 0.551 nan 8.270 nan 0.000 0.430 215 H N -2.363 116.656 119.070 -0.084 0.000 2.557 215 H HA 0.153 4.709 4.556 -0.000 0.000 0.281 215 H C -0.372 174.765 175.328 -0.318 0.000 0.990 215 H CA 0.021 55.926 56.048 -0.237 0.000 1.278 215 H CB 0.451 29.983 29.762 -0.383 0.000 1.451 215 H HN 0.028 nan 8.280 nan 0.000 0.516 216 F N 2.184 122.204 119.950 0.117 0.000 2.351 216 F HA 0.213 4.740 4.527 -0.000 0.000 0.362 216 F C 0.819 176.636 175.800 0.028 0.000 1.131 216 F CA -0.464 57.577 58.000 0.068 0.000 1.187 216 F CB 0.657 39.695 39.000 0.063 0.000 1.434 216 F HN 0.189 nan 8.300 nan 0.000 0.553 217 S N 1.064 116.840 115.700 0.126 0.000 3.152 217 S HA 0.375 4.845 4.470 -0.000 0.000 0.173 217 S C 1.466 176.091 174.600 0.042 0.000 0.751 217 S CA 0.180 58.416 58.200 0.061 0.000 0.933 217 S CB -0.842 62.364 63.200 0.011 0.000 0.877 217 S HN 0.654 nan 8.310 nan 0.000 0.766 218 G N 2.661 111.474 108.800 0.023 0.000 2.098 218 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.252 218 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.252 218 G C 0.171 175.053 174.900 -0.030 0.000 0.785 218 G CA 0.455 45.562 45.100 0.012 0.000 1.123 218 G HN 0.672 nan 8.290 nan 0.000 0.375 219 V N 0.942 120.795 119.914 -0.102 0.000 3.237 219 V HA 0.380 4.499 4.120 -0.000 0.000 0.305 219 V C 1.182 177.089 176.094 -0.310 0.000 1.096 219 V CA 0.250 62.445 62.300 -0.175 0.000 1.130 219 V CB 1.302 33.000 31.823 -0.209 0.000 1.048 219 V HN 0.914 nan 8.190 nan 0.000 0.484 220 S N 0.746 116.287 115.700 -0.265 0.000 2.617 220 S HA 0.598 5.068 4.470 -0.000 0.000 0.283 220 S C 0.041 174.426 174.600 -0.357 0.000 1.189 220 S CA -0.531 57.533 58.200 -0.227 0.000 1.036 220 S CB 1.130 64.294 63.200 -0.060 0.000 1.014 220 S HN 0.393 nan 8.310 nan 0.000 0.522 221 F N 0.961 120.924 119.950 0.022 0.000 2.315 221 F HA 0.142 4.669 4.527 -0.000 0.000 0.284 221 F C 1.995 177.828 175.800 0.054 0.000 1.049 221 F CA 0.449 58.469 58.000 0.033 0.000 1.323 221 F CB -0.931 38.085 39.000 0.026 0.000 1.113 221 F HN 0.685 nan 8.300 nan 0.000 0.544 222 T N -1.457 113.252 114.554 0.259 0.000 2.732 222 T HA 0.038 4.388 4.350 -0.000 0.000 0.287 222 T C 0.743 175.543 174.700 0.167 0.000 0.993 222 T CA -0.043 62.179 62.100 0.204 0.000 0.966 222 T CB 0.300 69.231 68.868 0.104 0.000 1.047 222 T HN 0.442 nan 8.240 nan 0.000 0.527 223 Y N -0.829 119.503 120.300 0.053 0.000 2.490 223 Y HA 0.413 4.963 4.550 -0.000 0.000 0.285 223 Y C 2.162 178.083 175.900 0.036 0.000 1.117 223 Y CA -0.040 58.083 58.100 0.039 0.000 1.262 223 Y CB -0.262 38.218 38.460 0.034 0.000 1.043 223 Y HN 0.439 nan 8.280 nan 0.000 0.553 224 K N 0.868 120.824 120.400 -0.739 0.000 2.504 224 K HA -0.048 4.272 4.320 -0.000 0.000 0.195 224 K C 1.088 177.560 176.600 -0.213 0.000 1.036 224 K CA 1.093 57.055 56.287 -0.543 0.000 0.984 224 K CB -0.004 32.145 32.500 -0.586 0.000 0.788 224 K HN 0.575 nan 8.250 nan 0.000 0.488 225 E N 0.582 120.708 120.200 -0.123 0.000 2.415 225 E HA -0.078 4.272 4.350 -0.000 0.000 0.197 225 E C 0.615 177.200 176.600 -0.024 0.000 1.007 225 E CA 0.617 56.986 56.400 -0.052 0.000 0.890 225 E CB 0.360 30.055 29.700 -0.008 0.000 0.891 225 E HN 0.368 nan 8.360 nan 0.000 0.496 226 D N 0.131 120.527 120.400 -0.008 0.000 2.469 226 D HA 0.107 4.747 4.640 -0.000 0.000 0.215 226 D C 0.192 176.510 176.300 0.030 0.000 1.154 226 D CA -0.240 53.769 54.000 0.015 0.000 0.832 226 D CB 0.235 41.051 40.800 0.026 0.000 1.008 226 D HN -0.039 nan 8.370 nan 0.000 0.506 227 A N 0.708 123.542 122.820 0.024 0.000 2.301 227 A HA 0.510 4.830 4.320 -0.000 0.000 0.312 227 A C -0.252 177.357 177.584 0.043 0.000 1.182 227 A CA -0.757 51.306 52.037 0.044 0.000 0.826 227 A CB 1.612 20.642 19.000 0.050 0.000 1.134 227 A HN 0.161 nan 8.150 nan 0.000 0.501 228 V N 5.772 125.723 119.914 0.061 0.000 2.353 228 V HA 0.397 4.517 4.120 -0.000 0.000 0.264 228 V C -1.834 174.320 176.094 0.100 0.000 1.049 228 V CA -1.872 60.476 62.300 0.080 0.000 0.896 228 V CB 0.724 32.598 31.823 0.086 0.000 1.025 228 V HN 0.862 nan 8.190 nan 0.000 0.475 229 P HA 0.170 nan 4.420 nan 0.000 0.262 229 P C -0.254 177.132 177.300 0.143 0.000 1.199 229 P CA 0.111 63.285 63.100 0.123 0.000 0.763 229 P CB 0.528 32.311 31.700 0.138 0.000 0.790 230 I N 3.735 124.367 120.570 0.104 0.000 2.416 230 I HA 0.128 4.297 4.170 -0.000 0.000 0.288 230 I C 1.105 177.258 176.117 0.059 0.000 1.051 230 I CA -0.670 60.683 61.300 0.088 0.000 1.375 230 I CB 0.365 38.410 38.000 0.075 0.000 1.407 230 I HN 0.177 nan 8.210 nan 0.000 0.516 231 L N 7.916 129.151 121.223 0.021 0.000 2.417 231 L HA 0.310 4.650 4.340 -0.000 0.000 0.268 231 L C -1.719 175.135 176.870 -0.027 0.000 1.158 231 L CA -1.690 53.121 54.840 -0.047 0.000 0.819 231 L CB 0.164 42.109 42.059 -0.191 0.000 1.112 231 L HN 0.429 nan 8.230 nan 0.000 0.458 232 P HA 0.144 nan 4.420 nan 0.000 0.276 232 P C -0.773 176.516 177.300 -0.018 0.000 1.230 232 P CA -0.424 62.671 63.100 -0.008 0.000 0.776 232 P CB 0.561 32.260 31.700 -0.001 0.000 0.888 233 R N 1.475 121.980 120.500 0.009 0.000 2.638 233 R HA 0.107 4.447 4.340 -0.000 0.000 0.268 233 R C -0.230 176.084 176.300 0.024 0.000 1.006 233 R CA 0.150 56.263 56.100 0.022 0.000 1.088 233 R CB 0.020 30.351 30.300 0.052 0.000 0.950 233 R HN 0.528 nan 8.270 nan 0.000 0.419 234 C N 3.569 122.884 119.300 0.024 0.000 2.255 234 C HA 0.247 4.707 4.460 -0.000 0.000 0.326 234 C C 0.828 175.952 174.990 0.222 0.000 1.258 234 C CA -0.745 58.309 59.018 0.061 0.000 1.676 234 C CB 0.289 27.965 27.740 -0.107 0.000 2.314 234 C HN 0.736 nan 8.230 nan 0.000 0.509 235 R N 2.982 123.611 120.500 0.214 0.000 2.401 235 R HA 0.212 4.552 4.340 -0.000 0.000 0.299 235 R C -0.638 175.853 176.300 0.318 0.000 1.064 235 R CA -0.117 56.124 56.100 0.235 0.000 1.000 235 R CB 0.309 30.690 30.300 0.135 0.000 0.973 235 R HN 0.683 nan 8.270 nan 0.000 0.438 236 F N 3.287 123.346 119.950 0.182 0.000 2.399 236 F HA 0.264 4.791 4.527 -0.000 0.000 0.342 236 F C -0.638 175.161 175.800 -0.002 0.000 1.106 236 F CA 0.388 58.418 58.000 0.051 0.000 1.196 236 F CB 1.446 40.473 39.000 0.044 0.000 1.163 236 F HN 0.432 nan 8.300 nan 0.000 0.547 237 T N 4.421 118.456 114.554 -0.864 0.000 2.879 237 T HA 0.429 4.779 4.350 -0.000 0.000 0.290 237 T C -0.111 174.208 174.700 -0.635 0.000 0.993 237 T CA -0.551 61.249 62.100 -0.499 0.000 0.975 237 T CB 1.306 69.988 68.868 -0.310 0.000 0.981 237 T HN 0.916 nan 8.240 nan 0.000 0.439 238 G N 2.484 111.162 108.800 -0.202 0.000 2.356 238 G HA2 0.500 4.460 3.960 -0.000 0.000 0.273 238 G HA3 0.500 4.460 3.960 -0.000 0.000 0.273 238 G C 0.047 174.832 174.900 -0.192 0.000 1.213 238 G CA -0.102 44.989 45.100 -0.016 0.000 0.955 238 G HN 0.967 nan 8.290 nan 0.000 0.454 239 S N 1.258 116.837 115.700 -0.201 0.000 2.669 239 S HA 0.710 5.180 4.470 -0.000 0.000 0.266 239 S C -1.089 173.420 174.600 -0.151 0.000 1.149 239 S CA -0.895 57.084 58.200 -0.368 0.000 0.842 239 S CB 1.737 64.754 63.200 -0.306 0.000 1.160 239 S HN 0.987 nan 8.310 nan 0.000 0.487 240 E N -0.199 119.901 120.200 -0.166 0.000 2.366 240 E HA 0.763 5.113 4.350 -0.000 0.000 0.278 240 E C -1.478 175.064 176.600 -0.097 0.000 0.923 240 E CA -1.071 55.301 56.400 -0.046 0.000 0.761 240 E CB 1.992 31.745 29.700 0.089 0.000 1.231 240 E HN 0.854 nan 8.360 nan 0.000 0.443 241 I N 1.248 121.758 120.570 -0.100 0.000 2.466 241 I HA 0.503 4.673 4.170 -0.000 0.000 0.289 241 I C -1.402 174.631 176.117 -0.140 0.000 1.026 241 I CA -0.844 60.360 61.300 -0.161 0.000 1.078 241 I CB 1.229 39.082 38.000 -0.244 0.000 1.249 241 I HN 0.557 nan 8.210 nan 0.000 0.429 242 R N 6.428 126.852 120.500 -0.127 0.000 2.388 242 R HA 0.647 4.987 4.340 -0.000 0.000 0.314 242 R C -0.913 175.335 176.300 -0.088 0.000 0.959 242 R CA -0.701 55.352 56.100 -0.078 0.000 0.851 242 R CB 1.938 32.215 30.300 -0.038 0.000 1.168 242 R HN 0.681 nan 8.270 nan 0.000 0.472 243 A N 3.955 126.739 122.820 -0.060 0.000 2.322 243 A HA 0.322 4.642 4.320 -0.000 0.000 0.327 243 A C -0.189 177.408 177.584 0.022 0.000 1.394 243 A CA -0.577 51.446 52.037 -0.022 0.000 0.921 243 A CB 0.325 19.357 19.000 0.053 0.000 1.153 243 A HN 0.713 nan 8.150 nan 0.000 0.523 244 R N 1.977 122.483 120.500 0.010 0.000 2.312 244 R HA 0.460 4.800 4.340 -0.000 0.000 0.311 244 R C -1.573 174.742 176.300 0.024 0.000 1.004 244 R CA -0.214 55.898 56.100 0.020 0.000 0.902 244 R CB 0.784 31.091 30.300 0.012 0.000 1.073 244 R HN 0.584 nan 8.270 nan 0.000 0.457 245 D N 2.893 123.312 120.400 0.031 0.000 2.337 245 D HA 0.106 4.746 4.640 -0.000 0.000 0.238 245 D C -0.627 175.691 176.300 0.031 0.000 1.331 245 D CA -0.427 53.591 54.000 0.029 0.000 0.967 245 D CB 1.070 41.889 40.800 0.030 0.000 1.382 245 D HN 0.512 nan 8.370 nan 0.000 0.549 246 D N 1.921 122.336 120.400 0.026 0.000 2.392 246 D HA -0.029 4.611 4.640 -0.000 0.000 0.228 246 D C 1.639 177.955 176.300 0.027 0.000 1.003 246 D CA 0.467 54.484 54.000 0.028 0.000 0.917 246 D CB 0.306 41.119 40.800 0.023 0.000 0.890 246 D HN 0.489 nan 8.370 nan 0.000 0.532 247 A N 0.057 122.891 122.820 0.024 0.000 2.123 247 A HA 0.066 4.386 4.320 -0.000 0.000 0.214 247 A C 1.194 178.793 177.584 0.025 0.000 1.152 247 A CA 0.029 52.079 52.037 0.022 0.000 0.728 247 A CB -0.070 18.941 19.000 0.018 0.000 0.814 247 A HN 0.161 nan 8.150 nan 0.000 0.464 248 L N 0.804 122.045 121.223 0.030 0.000 2.397 248 L HA 0.159 4.498 4.340 -0.000 0.000 0.271 248 L C -0.859 176.035 176.870 0.041 0.000 1.148 248 L CA -1.615 53.246 54.840 0.035 0.000 0.825 248 L CB 0.765 42.850 42.059 0.044 0.000 1.117 248 L HN 0.158 nan 8.230 nan 0.000 0.456 249 P HA -0.095 nan 4.420 nan 0.000 0.215 249 P C 0.173 177.497 177.300 0.040 0.000 1.157 249 P CA 1.216 64.335 63.100 0.031 0.000 0.863 249 P CB 0.154 31.862 31.700 0.014 0.000 0.787 250 V N -4.369 115.571 119.914 0.044 0.000 3.074 250 V HA 0.895 5.015 4.120 -0.000 0.000 0.314 250 V C -0.721 175.449 176.094 0.128 0.000 1.117 250 V CA -1.458 60.876 62.300 0.056 0.000 1.014 250 V CB 1.407 33.191 31.823 -0.065 0.000 1.057 250 V HN 0.174 nan 8.190 nan 0.000 0.438 251 A N 1.082 123.979 122.820 0.128 0.000 2.324 251 A HA 0.775 5.095 4.320 -0.000 0.000 0.330 251 A C -0.440 177.212 177.584 0.113 0.000 1.165 251 A CA -0.645 51.484 52.037 0.152 0.000 0.813 251 A CB 0.622 19.692 19.000 0.117 0.000 1.197 251 A HN 1.035 nan 8.150 nan 0.000 0.484 252 H N 0.527 119.594 119.070 -0.005 0.000 2.457 252 H HA 0.595 5.151 4.556 -0.000 0.000 0.335 252 H C -1.155 174.054 175.328 -0.200 0.000 1.115 252 H CA -0.486 55.521 56.048 -0.068 0.000 1.219 252 H CB 1.937 31.755 29.762 0.093 0.000 1.471 252 H HN 0.389 nan 8.280 nan 0.000 0.491 253 V N 1.634 121.295 119.914 -0.422 0.000 2.760 253 V HA 0.565 4.685 4.120 -0.000 0.000 0.309 253 V C -0.665 175.127 176.094 -0.504 0.000 1.077 253 V CA -0.799 61.168 62.300 -0.556 0.000 0.910 253 V CB 1.790 32.995 31.823 -1.031 0.000 1.008 253 V HN 0.918 nan 8.190 nan 0.000 0.424 254 A N 4.345 126.978 122.820 -0.312 0.000 2.381 254 A HA 0.917 5.237 4.320 -0.000 0.000 0.299 254 A C -1.629 175.759 177.584 -0.328 0.000 1.049 254 A CA -0.445 51.424 52.037 -0.280 0.000 0.715 254 A CB 1.562 20.366 19.000 -0.326 0.000 1.222 254 A HN 0.804 nan 8.150 nan 0.000 0.428 255 L N 1.908 122.793 121.223 -0.564 0.000 2.362 255 L HA 0.968 5.308 4.340 -0.000 0.000 0.271 255 L C -0.096 176.559 176.870 -0.357 0.000 1.002 255 L CA 0.170 54.690 54.840 -0.534 0.000 0.818 255 L CB 1.880 43.395 42.059 -0.907 0.000 1.298 255 L HN 1.349 nan 8.230 nan 0.000 0.420 256 A N 3.229 126.046 122.820 -0.005 0.000 2.608 256 A HA 0.766 5.086 4.320 -0.000 0.000 0.292 256 A C -1.527 176.239 177.584 0.304 0.000 1.066 256 A CA -0.140 52.012 52.037 0.191 0.000 0.676 256 A CB 1.394 20.540 19.000 0.244 0.000 1.277 256 A HN 1.126 nan 8.150 nan 0.000 0.413 257 V N -1.356 118.686 119.914 0.214 0.000 2.919 257 V HA 0.734 4.853 4.120 -0.000 0.000 0.316 257 V C 0.125 176.004 176.094 -0.358 0.000 1.077 257 V CA -0.853 61.420 62.300 -0.046 0.000 0.977 257 V CB 1.560 33.377 31.823 -0.010 0.000 1.039 257 V HN 1.010 nan 8.190 nan 0.000 0.441 258 E N 0.922 120.522 120.200 -1.001 0.000 2.384 258 E HA 0.428 4.778 4.350 -0.000 0.000 0.266 258 E C 0.305 176.810 176.600 -0.160 0.000 1.012 258 E CA 0.382 56.364 56.400 -0.698 0.000 0.901 258 E CB 0.934 30.166 29.700 -0.779 0.000 0.967 258 E HN 1.088 nan 8.360 nan 0.000 0.435 259 G N 3.703 112.478 108.800 -0.043 0.000 2.511 259 G HA2 0.262 4.222 3.960 -0.000 0.000 0.316 259 G HA3 0.262 4.222 3.960 -0.000 0.000 0.316 259 G C -1.776 173.087 174.900 -0.061 0.000 1.210 259 G CA -0.960 44.068 45.100 -0.120 0.000 0.969 259 G HN 0.444 nan 8.290 nan 0.000 0.492 260 P HA 0.125 nan 4.420 nan 0.000 0.215 260 P C 0.809 178.114 177.300 0.009 0.000 1.157 260 P CA 1.523 64.616 63.100 -0.012 0.000 0.859 260 P CB 0.289 31.938 31.700 -0.084 0.000 0.786 261 G N -1.579 107.175 108.800 -0.077 0.000 2.528 261 G HA2 -0.072 3.887 3.960 -0.000 0.000 0.681 261 G HA3 -0.072 3.887 3.960 -0.000 0.000 0.681 261 G C -0.078 174.831 174.900 0.015 0.000 1.340 261 G CA -0.435 44.630 45.100 -0.058 0.000 0.855 261 G HN 0.005 nan 8.290 nan 0.000 0.649 262 W N 0.920 122.304 121.300 0.141 0.000 2.300 262 W HA -0.223 4.437 4.660 -0.000 0.000 0.346 262 W C 2.971 179.690 176.519 0.332 0.000 1.405 262 W CA 3.056 60.519 57.345 0.196 0.000 1.281 262 W CB -0.693 28.807 29.460 0.066 0.000 1.097 262 W HN 1.257 nan 8.180 nan 0.000 0.470 263 A N -0.568 122.582 122.820 0.550 0.000 2.148 263 A HA -0.196 4.124 4.320 -0.000 0.000 0.222 263 A C 0.897 178.637 177.584 0.260 0.000 1.161 263 A CA 1.562 53.839 52.037 0.399 0.000 0.662 263 A CB -0.799 18.371 19.000 0.284 0.000 0.799 263 A HN 0.239 nan 8.150 nan 0.000 0.466 264 D N -0.892 119.641 120.400 0.221 0.000 2.348 264 D HA 0.240 4.880 4.640 -0.000 0.000 0.253 264 D C -1.704 174.677 176.300 0.135 0.000 1.161 264 D CA -1.915 52.171 54.000 0.143 0.000 0.876 264 D CB 1.239 42.100 40.800 0.101 0.000 1.160 264 D HN -0.006 nan 8.370 nan 0.000 0.459 265 P HA -0.095 nan 4.420 nan 0.000 0.219 265 P C 0.660 178.010 177.300 0.083 0.000 1.146 265 P CA 0.656 63.822 63.100 0.109 0.000 0.808 265 P CB 0.370 32.118 31.700 0.081 0.000 0.779 266 D N -1.068 119.359 120.400 0.045 0.000 2.221 266 D HA -0.156 4.484 4.640 -0.000 0.000 0.204 266 D C 1.598 177.840 176.300 -0.097 0.000 0.982 266 D CA 0.791 54.782 54.000 -0.015 0.000 0.857 266 D CB -0.744 40.053 40.800 -0.004 0.000 0.934 266 D HN 0.170 nan 8.370 nan 0.000 0.475 267 N N 0.307 118.963 118.700 -0.074 0.000 2.272 267 N HA -0.116 4.624 4.740 -0.000 0.000 0.185 267 N C 1.878 177.393 175.510 0.008 0.000 1.014 267 N CA 0.397 53.385 53.050 -0.103 0.000 0.870 267 N CB -0.002 38.504 38.487 0.032 0.000 0.975 267 N HN 0.147 nan 8.380 nan 0.000 0.433 268 V N 0.586 120.543 119.914 0.071 0.000 2.427 268 V HA -0.134 3.986 4.120 -0.000 0.000 0.248 268 V C 2.361 178.491 176.094 0.059 0.000 1.051 268 V CA 1.030 63.380 62.300 0.084 0.000 1.048 268 V CB -0.297 31.599 31.823 0.122 0.000 0.666 268 V HN 0.061 nan 8.190 nan 0.000 0.456 269 V N -0.384 119.535 119.914 0.007 0.000 2.488 269 V HA -0.144 3.976 4.120 -0.000 0.000 0.246 269 V C 2.263 178.323 176.094 -0.056 0.000 1.046 269 V CA 1.393 63.686 62.300 -0.012 0.000 1.053 269 V CB -0.497 31.309 31.823 -0.029 0.000 0.679 269 V HN 0.416 nan 8.190 nan 0.000 0.458 270 L N -0.679 120.437 121.223 -0.178 0.000 2.083 270 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 270 L C 2.690 179.543 176.870 -0.029 0.000 1.083 270 L CA 1.447 56.125 54.840 -0.270 0.000 0.752 270 L CB -0.844 40.876 42.059 -0.565 0.000 0.899 270 L HN 0.414 nan 8.230 nan 0.000 0.433 271 H N -0.931 118.166 119.070 0.045 0.000 2.457 271 H HA -0.057 4.499 4.556 -0.000 0.000 0.294 271 H C 2.357 177.739 175.328 0.090 0.000 1.064 271 H CA 1.248 57.342 56.048 0.077 0.000 1.330 271 H CB 0.125 29.884 29.762 -0.005 0.000 1.395 271 H HN 0.157 nan 8.280 nan 0.000 0.541 272 V N 0.844 120.860 119.914 0.170 0.000 2.379 272 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 272 V C 2.752 178.930 176.094 0.140 0.000 1.044 272 V CA 1.254 63.636 62.300 0.136 0.000 1.036 272 V CB -0.845 31.033 31.823 0.091 0.000 0.664 272 V HN 0.421 nan 8.190 nan 0.000 0.453 273 A N 0.439 123.337 122.820 0.129 0.000 1.865 273 A HA -0.305 4.015 4.320 -0.000 0.000 0.217 273 A C 2.043 179.760 177.584 0.222 0.000 1.191 273 A CA 2.420 54.550 52.037 0.155 0.000 0.623 273 A CB -0.984 18.098 19.000 0.138 0.000 0.826 273 A HN 0.658 nan 8.150 nan 0.000 0.444 274 N N -0.158 118.708 118.700 0.277 0.000 2.272 274 N HA -0.110 4.630 4.740 -0.000 0.000 0.185 274 N C 1.831 177.469 175.510 0.215 0.000 1.014 274 N CA 0.808 54.010 53.050 0.253 0.000 0.870 274 N CB -0.202 38.434 38.487 0.249 0.000 0.975 274 N HN 0.540 nan 8.380 nan 0.000 0.433 275 A N 1.075 124.019 122.820 0.207 0.000 1.969 275 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 275 A C 2.043 179.676 177.584 0.081 0.000 1.169 275 A CA 0.814 52.955 52.037 0.174 0.000 0.635 275 A CB -0.390 18.748 19.000 0.230 0.000 0.810 275 A HN 0.199 nan 8.150 nan 0.000 0.445 276 I N -0.503 120.131 120.570 0.107 0.000 2.202 276 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 276 I C 2.256 178.425 176.117 0.085 0.000 1.091 276 I CA 1.280 62.628 61.300 0.080 0.000 1.368 276 I CB -0.366 37.686 38.000 0.086 0.000 1.058 276 I HN 0.268 nan 8.210 nan 0.000 0.410 277 I N 0.219 120.867 120.570 0.130 0.000 2.353 277 I HA -0.079 4.091 4.170 -0.000 0.000 0.248 277 I C 1.747 178.004 176.117 0.233 0.000 1.119 277 I CA 0.950 62.341 61.300 0.153 0.000 1.417 277 I CB -0.806 37.296 38.000 0.171 0.000 1.078 277 I HN 0.489 nan 8.210 nan 0.000 0.421 278 G N 1.804 110.716 108.800 0.187 0.000 2.550 278 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.277 278 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.277 278 G C 0.091 175.084 174.900 0.154 0.000 1.190 278 G CA 0.416 45.597 45.100 0.135 0.000 0.971 278 G HN 0.633 nan 8.290 nan 0.000 0.559 279 R N -2.116 118.330 120.500 -0.090 0.000 2.752 279 R HA 0.720 5.060 4.340 -0.000 0.000 0.277 279 R C -1.216 174.643 176.300 -0.734 0.000 1.024 279 R CA -0.787 54.940 56.100 -0.622 0.000 0.866 279 R CB 1.168 31.377 30.300 -0.152 0.000 1.278 279 R HN 1.834 nan 8.270 nan 0.000 0.473 280 Y N 0.556 120.084 120.300 -1.286 0.000 2.641 280 Y HA 0.479 5.029 4.550 -0.000 0.000 0.333 280 Y C -2.380 172.843 175.900 -1.129 0.000 1.174 280 Y CA -0.453 56.807 58.100 -1.401 0.000 1.057 280 Y CB 2.277 40.189 38.460 -0.913 0.000 1.322 280 Y HN 1.071 nan 8.280 nan 0.000 0.457 281 D N 1.606 120.489 120.400 -2.528 0.000 2.706 281 D HA 0.266 4.905 4.640 -0.000 0.000 0.225 281 D C -0.664 174.826 176.300 -1.350 0.000 1.241 281 D CA -0.718 52.479 54.000 -1.338 0.000 0.784 281 D CB 1.341 41.854 40.800 -0.478 0.000 1.521 281 D HN 0.621 nan 8.370 nan 0.000 0.461 282 R N 0.102 120.223 120.500 -0.631 0.000 2.438 282 R HA -0.039 4.301 4.340 -0.000 0.000 0.227 282 R C 0.790 177.032 176.300 -0.097 0.000 1.153 282 R CA 1.668 57.613 56.100 -0.259 0.000 1.059 282 R CB -0.531 29.738 30.300 -0.052 0.000 0.831 282 R HN 0.650 nan 8.270 nan 0.000 0.487 283 T N -3.800 110.730 114.554 -0.040 0.000 3.132 283 T HA 0.175 4.525 4.350 -0.000 0.000 0.274 283 T C 0.006 174.837 174.700 0.219 0.000 1.011 283 T CA -0.534 61.622 62.100 0.095 0.000 0.899 283 T CB 0.087 69.002 68.868 0.079 0.000 1.089 283 T HN -0.161 nan 8.240 nan 0.000 0.543 284 F N 2.916 122.779 119.950 -0.145 0.000 2.462 284 F HA 0.552 5.079 4.527 -0.000 0.000 0.360 284 F C 1.783 177.597 175.800 0.024 0.000 1.134 284 F CA -1.408 56.559 58.000 -0.054 0.000 1.148 284 F CB 0.260 39.241 39.000 -0.032 0.000 1.147 284 F HN 0.230 nan 8.300 nan 0.000 0.550 285 G N 2.798 111.679 108.800 0.136 0.000 2.505 285 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 285 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 285 G C 1.928 176.911 174.900 0.139 0.000 1.145 285 G CA 0.876 46.041 45.100 0.108 0.000 0.761 285 G HN 0.842 nan 8.290 nan 0.000 0.571 286 G N 0.768 109.664 108.800 0.159 0.000 2.596 286 G HA2 0.112 4.072 3.960 -0.000 0.000 0.223 286 G HA3 0.112 4.072 3.960 -0.000 0.000 0.223 286 G C 1.534 176.537 174.900 0.172 0.000 1.120 286 G CA 1.635 46.839 45.100 0.174 0.000 0.752 286 G HN 1.591 nan 8.290 nan 0.000 0.596 287 G N 0.598 109.510 108.800 0.187 0.000 2.596 287 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.295 287 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.295 287 G C 1.066 175.946 174.900 -0.033 0.000 1.240 287 G CA 1.382 46.539 45.100 0.096 0.000 0.985 287 G HN 1.153 nan 8.290 nan 0.000 0.555 288 K N 0.291 120.571 120.400 -0.201 0.000 2.585 288 K HA 0.038 4.358 4.320 -0.000 0.000 0.194 288 K C 1.497 177.872 176.600 -0.376 0.000 1.037 288 K CA 1.990 58.082 56.287 -0.324 0.000 0.964 288 K CB -0.194 32.066 32.500 -0.400 0.000 0.787 288 K HN 0.730 nan 8.250 nan 0.000 0.488 289 H N 0.188 119.262 119.070 0.006 0.000 2.652 289 H HA 0.268 4.824 4.556 -0.000 0.000 0.274 289 H C -0.079 175.262 175.328 0.021 0.000 1.021 289 H CA -0.712 55.341 56.048 0.008 0.000 1.187 289 H CB 0.355 30.126 29.762 0.014 0.000 1.505 289 H HN -0.024 nan 8.280 nan 0.000 0.530 290 L N 0.958 122.248 121.223 0.112 0.000 2.543 290 L HA -0.100 4.239 4.340 -0.000 0.000 0.285 290 L C 1.226 178.138 176.870 0.070 0.000 1.236 290 L CA -0.021 54.884 54.840 0.109 0.000 0.871 290 L CB 0.709 42.844 42.059 0.128 0.000 1.121 290 L HN 0.294 nan 8.230 nan 0.000 0.501 291 S N 0.669 116.408 115.700 0.066 0.000 2.368 291 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 291 S C 1.046 175.665 174.600 0.032 0.000 1.030 291 S CA 0.899 59.124 58.200 0.042 0.000 0.999 291 S CB -0.084 63.136 63.200 0.033 0.000 0.844 291 S HN 0.742 nan 8.310 nan 0.000 0.459 292 S N 1.810 117.536 115.700 0.044 0.000 2.571 292 S HA 0.081 4.551 4.470 -0.000 0.000 0.297 292 S C 1.221 175.831 174.600 0.018 0.000 1.234 292 S CA -0.415 57.817 58.200 0.053 0.000 1.120 292 S CB 0.179 63.452 63.200 0.123 0.000 0.923 292 S HN 0.308 nan 8.310 nan 0.000 0.504 293 R N 2.925 123.418 120.500 -0.011 0.000 2.094 293 R HA -0.156 4.184 4.340 -0.000 0.000 0.239 293 R C 2.135 178.374 176.300 -0.101 0.000 1.137 293 R CA 1.750 57.819 56.100 -0.052 0.000 0.943 293 R CB -0.630 29.637 30.300 -0.055 0.000 0.850 293 R HN 0.669 nan 8.270 nan 0.000 0.433 294 L N 0.968 122.109 121.223 -0.137 0.000 2.043 294 L HA -0.188 4.151 4.340 -0.000 0.000 0.212 294 L C 2.273 179.013 176.870 -0.216 0.000 1.075 294 L CA 2.109 56.779 54.840 -0.283 0.000 0.752 294 L CB -0.719 41.020 42.059 -0.533 0.000 0.891 294 L HN 0.191 nan 8.230 nan 0.000 0.432 295 A N -0.650 122.170 122.820 -0.000 0.000 1.902 295 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 295 A C 2.468 179.859 177.584 -0.323 0.000 1.181 295 A CA 1.882 53.871 52.037 -0.080 0.000 0.623 295 A CB -1.197 17.824 19.000 0.035 0.000 0.818 295 A HN 0.596 nan 8.150 nan 0.000 0.443 296 A N -0.214 122.494 122.820 -0.187 0.000 1.883 296 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 296 A C 2.196 179.633 177.584 -0.245 0.000 1.186 296 A CA 1.594 53.513 52.037 -0.197 0.000 0.624 296 A CB -0.676 18.251 19.000 -0.123 0.000 0.822 296 A HN 0.474 nan 8.150 nan 0.000 0.444 297 L N -0.829 120.270 121.223 -0.206 0.000 2.046 297 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 297 L C 3.133 179.882 176.870 -0.203 0.000 1.077 297 L CA 1.042 55.785 54.840 -0.162 0.000 0.747 297 L CB -0.569 41.442 42.059 -0.080 0.000 0.896 297 L HN 0.461 nan 8.230 nan 0.000 0.432 298 A N -0.312 122.335 122.820 -0.287 0.000 1.892 298 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 298 A C 2.318 179.710 177.584 -0.319 0.000 1.188 298 A CA 2.135 53.982 52.037 -0.317 0.000 0.631 298 A CB -0.900 17.845 19.000 -0.426 0.000 0.822 298 A HN 0.215 nan 8.150 nan 0.000 0.447 299 V N 0.137 119.804 119.914 -0.412 0.000 2.307 299 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 299 V C 2.594 178.542 176.094 -0.243 0.000 1.045 299 V CA 2.074 64.202 62.300 -0.287 0.000 1.024 299 V CB -0.749 30.914 31.823 -0.267 0.000 0.651 299 V HN 0.520 nan 8.190 nan 0.000 0.449 300 E N -0.201 119.801 120.200 -0.329 0.000 2.051 300 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 300 E C 1.972 178.294 176.600 -0.463 0.000 0.991 300 E CA 1.385 57.516 56.400 -0.447 0.000 0.799 300 E CB -0.355 28.947 29.700 -0.664 0.000 0.748 300 E HN 0.691 nan 8.360 nan 0.000 0.449 301 H N 0.305 119.295 119.070 -0.133 0.000 2.549 301 H HA 0.209 4.765 4.556 -0.000 0.000 0.279 301 H C -0.029 175.223 175.328 -0.126 0.000 1.018 301 H CA 0.032 56.007 56.048 -0.123 0.000 1.175 301 H CB 0.277 29.962 29.762 -0.128 0.000 1.485 301 H HN 0.090 nan 8.280 nan 0.000 0.543 302 K N 1.110 121.468 120.400 -0.069 0.000 3.419 302 K HA -0.178 4.142 4.320 -0.000 0.000 0.272 302 K C 0.705 177.249 176.600 -0.093 0.000 0.973 302 K CA 0.017 56.252 56.287 -0.086 0.000 0.749 302 K CB -1.553 30.903 32.500 -0.073 0.000 1.403 302 K HN 0.305 nan 8.250 nan 0.000 0.456 303 L N -1.142 120.014 121.223 -0.112 0.000 2.240 303 L HA -0.040 4.300 4.340 -0.000 0.000 0.211 303 L C 1.348 178.120 176.870 -0.164 0.000 1.106 303 L CA 0.905 55.654 54.840 -0.152 0.000 0.793 303 L CB -0.115 41.819 42.059 -0.208 0.000 0.927 303 L HN 0.718 nan 8.230 nan 0.000 0.446 304 C N -5.330 113.903 119.300 -0.111 0.000 3.275 304 C HA 0.286 4.746 4.460 -0.000 0.000 0.340 304 C C 1.381 176.358 174.990 -0.021 0.000 1.366 304 C CA -0.979 58.014 59.018 -0.041 0.000 1.227 304 C CB 1.062 28.813 27.740 0.019 0.000 1.512 304 C HN 0.143 nan 8.230 nan 0.000 0.461 305 H N 0.875 119.987 119.070 0.069 0.000 2.482 305 H HA 0.213 4.769 4.556 -0.000 0.000 0.286 305 H C 0.996 176.328 175.328 0.006 0.000 1.017 305 H CA 1.868 57.939 56.048 0.040 0.000 1.322 305 H CB 0.455 30.224 29.762 0.012 0.000 1.426 305 H HN 0.977 nan 8.280 nan 0.000 0.546 306 S N -0.463 115.344 115.700 0.179 0.000 2.633 306 S HA 0.419 4.889 4.470 -0.000 0.000 0.271 306 S C -1.417 173.334 174.600 0.251 0.000 1.112 306 S CA -1.050 57.204 58.200 0.091 0.000 0.828 306 S CB 1.666 64.872 63.200 0.010 0.000 1.086 306 S HN 0.226 nan 8.310 nan 0.000 0.461 307 F N -0.603 119.416 119.950 0.115 0.000 2.678 307 F HA 0.844 5.371 4.527 -0.000 0.000 0.308 307 F C -1.678 174.245 175.800 0.205 0.000 1.118 307 F CA -0.697 57.403 58.000 0.167 0.000 0.959 307 F CB 1.180 40.235 39.000 0.091 0.000 1.305 307 F HN 1.019 nan 8.300 nan 0.000 0.443 308 Q N 0.990 121.118 119.800 0.547 0.000 2.391 308 Q HA 0.653 4.993 4.340 -0.000 0.000 0.279 308 Q C -1.580 174.766 176.000 0.577 0.000 1.028 308 Q CA -0.947 55.101 55.803 0.408 0.000 0.836 308 Q CB 2.453 31.420 28.738 0.381 0.000 1.414 308 Q HN 0.921 nan 8.270 nan 0.000 0.397 309 T N -0.822 113.988 114.554 0.426 0.000 2.936 309 T HA 0.868 5.218 4.350 -0.000 0.000 0.282 309 T C -0.357 174.524 174.700 0.301 0.000 1.003 309 T CA -0.577 61.683 62.100 0.265 0.000 1.005 309 T CB 0.740 69.713 68.868 0.176 0.000 1.097 309 T HN 0.704 nan 8.240 nan 0.000 0.532 310 F N -1.324 118.694 119.950 0.113 0.000 2.703 310 F HA 0.698 5.225 4.527 -0.000 0.000 0.308 310 F C -1.298 174.518 175.800 0.028 0.000 1.126 310 F CA -1.242 56.828 58.000 0.116 0.000 0.959 310 F CB 1.381 40.492 39.000 0.186 0.000 1.297 310 F HN 0.603 nan 8.300 nan 0.000 0.441 311 N N 1.161 120.038 118.700 0.295 0.000 2.750 311 N HA 0.235 4.975 4.740 -0.000 0.000 0.253 311 N C -1.544 174.044 175.510 0.131 0.000 1.408 311 N CA -0.194 52.963 53.050 0.178 0.000 0.780 311 N CB 1.083 39.527 38.487 -0.071 0.000 1.191 311 N HN 0.732 nan 8.380 nan 0.000 0.511 312 T N 1.514 116.187 114.554 0.198 0.000 2.750 312 T HA 0.189 4.539 4.350 -0.000 0.000 0.286 312 T C 0.123 174.593 174.700 -0.382 0.000 0.911 312 T CA 0.227 62.294 62.100 -0.054 0.000 1.130 312 T CB 0.023 68.900 68.868 0.015 0.000 0.873 312 T HN 0.278 nan 8.240 nan 0.000 0.536 313 S N 3.063 118.345 115.700 -0.696 0.000 2.652 313 S HA 0.687 5.157 4.470 -0.000 0.000 0.270 313 S C -0.687 173.178 174.600 -1.225 0.000 1.243 313 S CA -0.602 56.914 58.200 -1.141 0.000 0.999 313 S CB 0.732 62.715 63.200 -2.029 0.000 0.973 313 S HN 0.664 nan 8.310 nan 0.000 0.544 314 Y N -0.989 118.901 120.300 -0.682 0.000 2.744 314 Y HA 0.185 4.735 4.550 -0.000 0.000 0.330 314 Y C 1.685 177.584 175.900 -0.002 0.000 1.263 314 Y CA -0.970 57.041 58.100 -0.149 0.000 1.065 314 Y CB 1.003 39.443 38.460 -0.032 0.000 1.306 314 Y HN 0.719 nan 8.280 nan 0.000 0.459 315 S N -0.120 115.857 115.700 0.460 0.000 2.359 315 S HA -0.220 4.249 4.470 -0.000 0.000 0.223 315 S C 0.773 175.516 174.600 0.238 0.000 1.039 315 S CA 2.186 60.616 58.200 0.383 0.000 1.042 315 S CB -0.349 63.008 63.200 0.262 0.000 0.915 315 S HN 0.818 nan 8.310 nan 0.000 0.439 316 D N -0.734 119.765 120.400 0.166 0.000 2.469 316 D HA 0.329 4.968 4.640 -0.000 0.000 0.213 316 D C 0.655 177.031 176.300 0.126 0.000 1.135 316 D CA 0.230 54.307 54.000 0.128 0.000 0.834 316 D CB 0.310 41.167 40.800 0.095 0.000 1.009 316 D HN 0.443 nan 8.370 nan 0.000 0.507 317 T N -1.859 112.783 114.554 0.147 0.000 2.612 317 T HA 0.677 5.027 4.350 -0.000 0.000 0.296 317 T C -1.209 173.609 174.700 0.197 0.000 1.148 317 T CA 0.045 62.260 62.100 0.192 0.000 1.077 317 T CB 1.394 70.419 68.868 0.263 0.000 1.591 317 T HN 0.352 nan 8.240 nan 0.000 0.479 318 G N -0.043 108.946 108.800 0.316 0.000 2.316 318 G HA2 0.478 4.438 3.960 -0.000 0.000 0.296 318 G HA3 0.478 4.438 3.960 -0.000 0.000 0.296 318 G C -2.407 172.677 174.900 0.306 0.000 1.399 318 G CA -0.744 44.483 45.100 0.212 0.000 0.833 318 G HN 0.756 nan 8.290 nan 0.000 0.565 319 L N 0.621 121.996 121.223 0.254 0.000 2.372 319 L HA 0.548 4.887 4.340 -0.000 0.000 0.273 319 L C -1.241 175.834 176.870 0.342 0.000 0.989 319 L CA -0.635 54.400 54.840 0.324 0.000 0.841 319 L CB 1.890 44.191 42.059 0.402 0.000 1.225 319 L HN 0.514 nan 8.230 nan 0.000 0.414 320 F N 3.212 123.179 119.950 0.027 0.000 2.388 320 F HA 0.801 5.328 4.527 -0.000 0.000 0.358 320 F C 0.329 176.053 175.800 -0.126 0.000 1.122 320 F CA -0.074 57.855 58.000 -0.118 0.000 1.056 320 F CB 1.294 40.166 39.000 -0.214 0.000 1.155 320 F HN 0.436 nan 8.300 nan 0.000 0.461 321 G N 4.441 112.610 108.800 -1.051 0.000 2.588 321 G HA2 0.503 4.463 3.960 -0.000 0.000 0.281 321 G HA3 0.503 4.463 3.960 -0.000 0.000 0.281 321 G C -1.791 172.469 174.900 -1.068 0.000 1.223 321 G CA -0.285 44.373 45.100 -0.736 0.000 0.871 321 G HN 0.770 nan 8.290 nan 0.000 0.492 322 F N -1.303 118.315 119.950 -0.552 0.000 2.685 322 F HA 0.863 5.390 4.527 -0.000 0.000 0.315 322 F C -1.036 174.941 175.800 0.296 0.000 1.126 322 F CA -1.294 56.632 58.000 -0.123 0.000 0.950 322 F CB 1.948 40.837 39.000 -0.186 0.000 1.360 322 F HN 0.762 nan 8.300 nan 0.000 0.469 323 H N 1.231 120.672 119.070 0.618 0.000 2.954 323 H HA 0.581 5.136 4.556 -0.000 0.000 0.361 323 H C -2.314 173.273 175.328 0.432 0.000 1.122 323 H CA -0.830 55.417 56.048 0.332 0.000 1.217 323 H CB 2.305 32.228 29.762 0.268 0.000 1.776 323 H HN 0.824 nan 8.280 nan 0.000 0.533 324 F N 2.222 121.953 119.950 -0.365 0.000 2.613 324 F HA 0.676 5.203 4.527 -0.000 0.000 0.314 324 F C -1.945 173.568 175.800 -0.479 0.000 1.075 324 F CA -1.032 56.795 58.000 -0.289 0.000 0.945 324 F CB 0.973 39.954 39.000 -0.032 0.000 1.310 324 F HN 0.129 nan 8.300 nan 0.000 0.467 325 V N 1.865 121.785 119.914 0.011 0.000 2.487 325 V HA 0.939 5.059 4.120 -0.000 0.000 0.298 325 V C -0.294 175.923 176.094 0.205 0.000 1.028 325 V CA -0.258 61.964 62.300 -0.130 0.000 0.860 325 V CB 0.767 32.397 31.823 -0.322 0.000 0.991 325 V HN 1.323 nan 8.190 nan 0.000 0.427 326 A N 3.193 126.157 122.820 0.240 0.000 2.602 326 A HA 0.705 5.025 4.320 -0.000 0.000 0.290 326 A C -1.166 176.565 177.584 0.244 0.000 1.114 326 A CA -0.804 51.406 52.037 0.288 0.000 0.683 326 A CB 1.257 20.368 19.000 0.185 0.000 1.281 326 A HN 0.695 nan 8.150 nan 0.000 0.416 327 D N 1.752 122.282 120.400 0.216 0.000 2.362 327 D HA 0.214 4.853 4.640 -0.000 0.000 0.242 327 D C -1.357 175.006 176.300 0.106 0.000 1.132 327 D CA -0.830 53.269 54.000 0.164 0.000 0.907 327 D CB 0.788 41.663 40.800 0.125 0.000 1.195 327 D HN 0.274 nan 8.370 nan 0.000 0.429 328 P HA -0.138 nan 4.420 nan 0.000 0.217 328 P C 1.307 178.634 177.300 0.047 0.000 1.148 328 P CA 1.019 64.159 63.100 0.067 0.000 0.828 328 P CB 0.307 32.039 31.700 0.054 0.000 0.783 329 L N -0.429 120.814 121.223 0.033 0.000 2.592 329 L HA 0.091 4.431 4.340 -0.000 0.000 0.227 329 L C 1.620 178.483 176.870 -0.011 0.000 1.127 329 L CA 0.717 55.562 54.840 0.008 0.000 0.884 329 L CB -0.429 41.630 42.059 0.001 0.000 1.065 329 L HN 0.094 nan 8.230 nan 0.000 0.457 330 S N -2.484 113.213 115.700 -0.005 0.000 2.730 330 S HA 0.244 4.714 4.470 -0.000 0.000 0.244 330 S C 1.334 175.900 174.600 -0.057 0.000 1.022 330 S CA -0.431 57.742 58.200 -0.046 0.000 1.014 330 S CB -0.008 63.155 63.200 -0.061 0.000 0.963 330 S HN 0.226 nan 8.310 nan 0.000 0.540 331 I N 1.846 122.423 120.570 0.013 0.000 2.179 331 I HA -0.138 4.032 4.170 -0.000 0.000 0.242 331 I C 2.517 178.646 176.117 0.020 0.000 1.088 331 I CA 1.797 63.144 61.300 0.079 0.000 1.357 331 I CB -0.430 37.666 38.000 0.159 0.000 1.051 331 I HN 0.314 nan 8.210 nan 0.000 0.409 332 D N 1.095 121.496 120.400 0.001 0.000 2.104 332 D HA -0.219 4.421 4.640 -0.000 0.000 0.194 332 D C 1.818 178.090 176.300 -0.047 0.000 0.994 332 D CA 1.448 55.440 54.000 -0.013 0.000 0.830 332 D CB -0.002 40.775 40.800 -0.037 0.000 0.959 332 D HN 0.206 nan 8.370 nan 0.000 0.452 333 D N -0.619 119.717 120.400 -0.107 0.000 2.144 333 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 333 D C 1.942 178.165 176.300 -0.129 0.000 0.978 333 D CA 0.624 54.547 54.000 -0.128 0.000 0.833 333 D CB -0.244 40.447 40.800 -0.182 0.000 0.961 333 D HN 0.250 nan 8.370 nan 0.000 0.470 334 M N 0.487 119.924 119.600 -0.272 0.000 2.067 334 M HA -0.142 4.338 4.480 -0.000 0.000 0.260 334 M C 2.029 177.994 176.300 -0.558 0.000 1.069 334 M CA 1.265 56.242 55.300 -0.539 0.000 1.117 334 M CB -0.445 31.612 32.600 -0.905 0.000 1.334 334 M HN -0.052 nan 8.290 nan 0.000 0.407 335 M N -0.494 118.905 119.600 -0.336 0.000 2.149 335 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 335 M C 1.859 178.099 176.300 -0.099 0.000 1.064 335 M CA 1.717 56.982 55.300 -0.059 0.000 1.102 335 M CB -0.914 31.782 32.600 0.161 0.000 1.369 335 M HN 0.402 nan 8.290 nan 0.000 0.408 336 F N -0.065 119.760 119.950 -0.208 0.000 2.075 336 F HA -0.233 4.293 4.527 -0.000 0.000 0.297 336 F C 2.177 177.833 175.800 -0.239 0.000 1.113 336 F CA 2.063 59.947 58.000 -0.193 0.000 1.218 336 F CB -0.912 37.978 39.000 -0.182 0.000 0.984 336 F HN 0.256 nan 8.300 nan 0.000 0.472 337 C N 0.759 119.915 119.300 -0.240 0.000 2.429 337 C HA -0.064 4.396 4.460 -0.000 0.000 0.277 337 C C 3.142 177.824 174.990 -0.514 0.000 1.262 337 C CA 0.982 59.778 59.018 -0.370 0.000 1.733 337 C CB -1.885 25.706 27.740 -0.248 0.000 2.010 337 C HN 0.678 nan 8.230 nan 0.000 0.483 338 A N 0.349 122.799 122.820 -0.617 0.000 1.851 338 A HA -0.266 4.054 4.320 -0.000 0.000 0.216 338 A C 2.091 179.251 177.584 -0.707 0.000 1.195 338 A CA 1.757 53.258 52.037 -0.893 0.000 0.622 338 A CB -0.832 17.397 19.000 -1.285 0.000 0.831 338 A HN 0.728 nan 8.150 nan 0.000 0.444 339 Q N -0.800 118.716 119.800 -0.474 0.000 2.234 339 Q HA -0.130 4.210 4.340 -0.000 0.000 0.206 339 Q C 2.101 177.970 176.000 -0.219 0.000 0.980 339 Q CA 1.011 56.666 55.803 -0.246 0.000 0.869 339 Q CB -0.416 28.231 28.738 -0.152 0.000 0.912 339 Q HN 0.728 nan 8.270 nan 0.000 0.436 340 G N 1.068 109.622 108.800 -0.410 0.000 2.418 340 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 340 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 340 G C 1.285 176.068 174.900 -0.196 0.000 1.158 340 G CA 0.451 45.318 45.100 -0.387 0.000 0.771 340 G HN 0.185 nan 8.290 nan 0.000 0.545 341 E N 0.012 120.089 120.200 -0.205 0.000 2.110 341 E HA -0.096 4.253 4.350 -0.000 0.000 0.193 341 E C 2.114 178.783 176.600 0.114 0.000 0.988 341 E CA 0.495 56.841 56.400 -0.091 0.000 0.804 341 E CB -0.305 29.286 29.700 -0.181 0.000 0.745 341 E HN 0.586 nan 8.360 nan 0.000 0.458 342 W N 0.405 121.649 121.300 -0.094 0.000 2.374 342 W HA -0.058 4.602 4.660 -0.000 0.000 0.288 342 W C 2.102 178.650 176.519 0.049 0.000 1.218 342 W CA 0.776 58.135 57.345 0.023 0.000 1.245 342 W CB -0.380 29.126 29.460 0.077 0.000 1.126 342 W HN 0.072 nan 8.180 nan 0.000 0.545 343 M N -0.743 118.999 119.600 0.236 0.000 2.123 343 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 343 M C 2.135 178.510 176.300 0.125 0.000 1.069 343 M CA 1.405 56.815 55.300 0.183 0.000 1.133 343 M CB -1.619 31.045 32.600 0.106 0.000 1.356 343 M HN 0.007 nan 8.290 nan 0.000 0.415 344 R N 0.503 121.039 120.500 0.060 0.000 2.103 344 R HA -0.167 4.173 4.340 -0.000 0.000 0.242 344 R C 2.190 178.524 176.300 0.056 0.000 1.142 344 R CA 1.441 57.560 56.100 0.032 0.000 0.960 344 R CB -0.375 29.924 30.300 -0.003 0.000 0.858 344 R HN 0.310 nan 8.270 nan 0.000 0.439 345 L N -0.198 121.075 121.223 0.084 0.000 1.971 345 L HA -0.337 4.003 4.340 -0.000 0.000 0.215 345 L C 2.651 179.550 176.870 0.048 0.000 1.072 345 L CA 1.880 56.764 54.840 0.073 0.000 0.758 345 L CB -0.506 41.608 42.059 0.093 0.000 0.889 345 L HN 0.462 nan 8.230 nan 0.000 0.433 346 C N -1.848 117.488 119.300 0.061 0.000 2.419 346 C HA -0.131 4.329 4.460 -0.000 0.000 0.281 346 C C 2.839 177.840 174.990 0.018 0.000 1.336 346 C CA 1.320 60.361 59.018 0.038 0.000 1.770 346 C CB -0.998 26.801 27.740 0.099 0.000 1.929 346 C HN 0.633 nan 8.230 nan 0.000 0.509 347 T N -0.356 114.228 114.554 0.049 0.000 3.056 347 T HA 0.015 4.365 4.350 -0.000 0.000 0.241 347 T C 1.329 176.049 174.700 0.033 0.000 1.006 347 T CA 1.353 63.479 62.100 0.044 0.000 1.115 347 T CB -0.115 68.812 68.868 0.098 0.000 0.939 347 T HN 0.530 nan 8.240 nan 0.000 0.462 348 S N 0.943 116.660 115.700 0.027 0.000 2.843 348 S HA 0.308 4.778 4.470 -0.000 0.000 0.249 348 S C 0.263 174.873 174.600 0.015 0.000 1.047 348 S CA -0.550 57.660 58.200 0.017 0.000 1.042 348 S CB 0.032 63.236 63.200 0.006 0.000 0.936 348 S HN 0.321 nan 8.310 nan 0.000 0.531 349 T N 3.647 118.214 114.554 0.020 0.000 2.946 349 T HA 0.214 4.564 4.350 -0.000 0.000 0.312 349 T C 0.309 175.020 174.700 0.018 0.000 1.066 349 T CA 0.693 62.806 62.100 0.023 0.000 1.138 349 T CB 0.528 69.412 68.868 0.027 0.000 1.014 349 T HN 0.365 nan 8.240 nan 0.000 0.544 350 T N 2.704 117.270 114.554 0.019 0.000 2.952 350 T HA 0.234 4.584 4.350 -0.000 0.000 0.286 350 T C 1.359 176.071 174.700 0.020 0.000 1.024 350 T CA -0.915 61.196 62.100 0.017 0.000 1.029 350 T CB 1.576 70.453 68.868 0.014 0.000 1.094 350 T HN 0.513 nan 8.240 nan 0.000 0.515 351 E N 1.089 121.300 120.200 0.018 0.000 2.072 351 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 351 E C 2.370 178.983 176.600 0.022 0.000 0.985 351 E CA 1.088 57.500 56.400 0.020 0.000 0.801 351 E CB -0.348 29.362 29.700 0.017 0.000 0.750 351 E HN 0.540 nan 8.360 nan 0.000 0.452 352 S N 1.489 117.200 115.700 0.019 0.000 2.370 352 S HA -0.181 4.289 4.470 -0.000 0.000 0.226 352 S C 1.847 176.462 174.600 0.025 0.000 1.033 352 S CA 1.194 59.407 58.200 0.020 0.000 1.011 352 S CB -0.262 62.948 63.200 0.016 0.000 0.852 352 S HN 0.335 nan 8.310 nan 0.000 0.457 353 E N 0.757 120.972 120.200 0.026 0.000 2.038 353 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 353 E C 2.440 179.064 176.600 0.040 0.000 1.000 353 E CA 1.694 58.112 56.400 0.031 0.000 0.803 353 E CB -0.520 29.198 29.700 0.031 0.000 0.750 353 E HN 0.588 nan 8.360 nan 0.000 0.448 354 V N -0.080 119.858 119.914 0.040 0.000 2.515 354 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 354 V C 2.287 178.410 176.094 0.048 0.000 1.058 354 V CA 1.802 64.131 62.300 0.047 0.000 1.064 354 V CB -0.513 31.336 31.823 0.042 0.000 0.675 354 V HN 0.114 nan 8.190 nan 0.000 0.461 355 K N 0.658 121.081 120.400 0.039 0.000 2.001 355 K HA -0.276 4.043 4.320 -0.000 0.000 0.214 355 K C 2.579 179.204 176.600 0.042 0.000 1.050 355 K CA 2.270 58.579 56.287 0.036 0.000 0.934 355 K CB -0.350 32.167 32.500 0.027 0.000 0.718 355 K HN 0.518 nan 8.250 nan 0.000 0.443 356 R N 0.110 120.636 120.500 0.043 0.000 2.080 356 R HA -0.155 4.185 4.340 -0.000 0.000 0.236 356 R C 2.229 178.579 176.300 0.083 0.000 1.137 356 R CA 1.612 57.744 56.100 0.052 0.000 0.943 356 R CB -0.448 29.878 30.300 0.043 0.000 0.846 356 R HN 0.326 nan 8.270 nan 0.000 0.431 357 A N 1.076 123.946 122.820 0.082 0.000 1.940 357 A HA -0.208 4.111 4.320 -0.000 0.000 0.219 357 A C 2.029 179.692 177.584 0.132 0.000 1.176 357 A CA 1.782 53.888 52.037 0.116 0.000 0.631 357 A CB -0.338 18.720 19.000 0.097 0.000 0.814 357 A HN 0.383 nan 8.150 nan 0.000 0.446 358 K N -0.376 120.078 120.400 0.090 0.000 2.025 358 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 358 K C 1.885 178.518 176.600 0.055 0.000 1.049 358 K CA 1.295 57.625 56.287 0.072 0.000 0.933 358 K CB -0.195 32.340 32.500 0.058 0.000 0.714 358 K HN 0.421 nan 8.250 nan 0.000 0.438 359 N N 0.574 119.302 118.700 0.046 0.000 2.058 359 N HA -0.201 4.539 4.740 -0.000 0.000 0.191 359 N C 1.847 177.368 175.510 0.018 0.000 1.037 359 N CA 1.443 54.497 53.050 0.006 0.000 0.848 359 N CB -0.549 37.940 38.487 0.004 0.000 1.021 359 N HN 0.299 nan 8.380 nan 0.000 0.422 360 H N 0.645 119.715 119.070 -0.001 0.000 2.353 360 H HA -0.092 4.464 4.556 -0.000 0.000 0.298 360 H C 2.011 177.343 175.328 0.008 0.000 1.103 360 H CA 1.444 57.497 56.048 0.008 0.000 1.293 360 H CB -0.327 29.454 29.762 0.033 0.000 1.372 360 H HN 0.088 nan 8.280 nan 0.000 0.501 361 L N 0.513 121.748 121.223 0.020 0.000 2.093 361 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 361 L C 2.306 179.127 176.870 -0.082 0.000 1.085 361 L CA 1.461 56.282 54.840 -0.032 0.000 0.755 361 L CB -0.531 41.552 42.059 0.040 0.000 0.904 361 L HN 0.191 nan 8.230 nan 0.000 0.435 362 R N -0.531 119.942 120.500 -0.044 0.000 2.070 362 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 362 R C 2.293 178.568 176.300 -0.042 0.000 1.138 362 R CA 1.808 57.901 56.100 -0.013 0.000 0.936 362 R CB -0.801 29.485 30.300 -0.023 0.000 0.839 362 R HN 0.608 nan 8.270 nan 0.000 0.429 363 S N 0.422 116.060 115.700 -0.103 0.000 2.500 363 S HA -0.039 4.431 4.470 -0.000 0.000 0.239 363 S C 1.995 176.518 174.600 -0.128 0.000 0.989 363 S CA 0.871 59.009 58.200 -0.104 0.000 0.951 363 S CB 0.015 63.141 63.200 -0.123 0.000 0.759 363 S HN 0.382 nan 8.310 nan 0.000 0.523 364 A N 3.006 125.715 122.820 -0.184 0.000 1.898 364 A HA 0.157 4.477 4.320 -0.000 0.000 0.214 364 A C 2.351 179.874 177.584 -0.102 0.000 1.183 364 A CA 1.228 53.158 52.037 -0.179 0.000 0.622 364 A CB -0.724 18.140 19.000 -0.227 0.000 0.824 364 A HN 0.744 nan 8.150 nan 0.000 0.444 365 M N -1.215 118.332 119.600 -0.088 0.000 2.175 365 M HA -0.012 4.468 4.480 -0.000 0.000 0.264 365 M C 1.646 177.956 176.300 0.016 0.000 1.063 365 M CA 1.895 57.165 55.300 -0.051 0.000 1.119 365 M CB -0.630 31.934 32.600 -0.059 0.000 1.377 365 M HN -0.008 nan 8.290 nan 0.000 0.415 366 V N 1.728 121.659 119.914 0.028 0.000 2.515 366 V HA -0.159 3.961 4.120 -0.000 0.000 0.250 366 V C 2.966 179.069 176.094 0.015 0.000 1.058 366 V CA 1.864 64.193 62.300 0.048 0.000 1.064 366 V CB -1.081 30.785 31.823 0.072 0.000 0.675 366 V HN 0.682 nan 8.190 nan 0.000 0.461 367 A N -0.960 121.853 122.820 -0.011 0.000 2.119 367 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 367 A C 1.969 179.547 177.584 -0.010 0.000 1.153 367 A CA 0.874 52.901 52.037 -0.017 0.000 0.692 367 A CB -0.297 18.681 19.000 -0.036 0.000 0.799 367 A HN 0.634 nan 8.150 nan 0.000 0.458 368 Q N -0.772 119.024 119.800 -0.008 0.000 2.322 368 Q HA 0.247 4.587 4.340 -0.000 0.000 0.203 368 Q C -0.088 175.908 176.000 -0.006 0.000 0.923 368 Q CA 0.247 56.048 55.803 -0.004 0.000 0.949 368 Q CB 0.058 28.796 28.738 0.001 0.000 1.039 368 Q HN 0.607 nan 8.270 nan 0.000 0.496 369 L N 0.044 121.265 121.223 -0.004 0.000 3.288 369 L HA 0.276 4.616 4.340 -0.000 0.000 0.293 369 L C -0.421 176.444 176.870 -0.009 0.000 1.294 369 L CA -0.222 54.610 54.840 -0.014 0.000 1.006 369 L CB 0.741 42.796 42.059 -0.007 0.000 1.407 369 L HN -0.086 nan 8.230 nan 0.000 0.592 370 D N 1.665 122.062 120.400 -0.005 0.000 2.639 370 D HA 0.528 5.168 4.640 -0.000 0.000 0.233 370 D C 0.461 176.762 176.300 0.002 0.000 1.161 370 D CA 0.544 54.544 54.000 -0.000 0.000 1.003 370 D CB 0.438 41.239 40.800 0.002 0.000 1.034 370 D HN 0.384 nan 8.370 nan 0.000 0.514 371 G N 0.126 108.924 108.800 -0.002 0.000 2.347 371 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.477 371 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.477 371 G C 0.898 175.794 174.900 -0.006 0.000 1.349 371 G CA -0.109 44.992 45.100 0.002 0.000 1.000 371 G HN 0.152 nan 8.290 nan 0.000 0.605 372 T N -2.712 111.842 114.554 0.000 0.000 2.812 372 T HA -0.015 4.335 4.350 -0.000 0.000 0.264 372 T C 2.348 177.042 174.700 -0.010 0.000 1.042 372 T CA 2.706 64.804 62.100 -0.004 0.000 1.140 372 T CB -0.698 68.175 68.868 0.009 0.000 0.870 372 T HN 0.739 nan 8.240 nan 0.000 0.445 373 T N 3.286 117.841 114.554 0.002 0.000 2.652 373 T HA -0.030 4.320 4.350 -0.000 0.000 0.267 373 T C -0.325 174.340 174.700 -0.059 0.000 1.039 373 T CA 1.575 63.651 62.100 -0.040 0.000 1.153 373 T CB -1.376 67.482 68.868 -0.017 0.000 0.863 373 T HN 0.454 nan 8.240 nan 0.000 0.428 374 P HA 0.018 nan 4.420 nan 0.000 0.218 374 P C 1.594 178.848 177.300 -0.077 0.000 1.149 374 P CA 0.798 63.877 63.100 -0.035 0.000 0.817 374 P CB -0.223 31.469 31.700 -0.013 0.000 0.785 375 V N -0.076 119.788 119.914 -0.083 0.000 2.453 375 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 375 V C 2.971 178.948 176.094 -0.196 0.000 1.048 375 V CA 1.726 63.953 62.300 -0.122 0.000 1.049 375 V CB -1.501 30.269 31.823 -0.088 0.000 0.672 375 V HN 0.217 nan 8.190 nan 0.000 0.457 376 C N 0.394 119.591 119.300 -0.171 0.000 2.440 376 C HA -0.130 4.330 4.460 -0.000 0.000 0.278 376 C C 2.861 177.481 174.990 -0.618 0.000 1.295 376 C CA 1.599 60.461 59.018 -0.259 0.000 1.738 376 C CB -0.566 27.151 27.740 -0.039 0.000 1.987 376 C HN 0.696 nan 8.230 nan 0.000 0.492 377 E N 0.397 120.369 120.200 -0.380 0.000 2.110 377 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 377 E C 2.095 178.411 176.600 -0.474 0.000 0.988 377 E CA 2.246 58.426 56.400 -0.367 0.000 0.804 377 E CB -0.452 29.270 29.700 0.037 0.000 0.745 377 E HN 0.607 nan 8.360 nan 0.000 0.458 378 T N 0.645 114.990 114.554 -0.347 0.000 2.708 378 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 378 T C 1.880 176.277 174.700 -0.506 0.000 1.037 378 T CA 1.521 63.407 62.100 -0.355 0.000 1.146 378 T CB -0.277 68.382 68.868 -0.348 0.000 0.865 378 T HN 0.153 nan 8.240 nan 0.000 0.435 379 I N 1.077 121.340 120.570 -0.512 0.000 2.099 379 I HA -0.141 4.029 4.170 -0.000 0.000 0.239 379 I C 2.945 178.782 176.117 -0.468 0.000 1.066 379 I CA 1.451 62.491 61.300 -0.433 0.000 1.324 379 I CB -0.941 36.848 38.000 -0.352 0.000 1.037 379 I HN 0.325 nan 8.210 nan 0.000 0.401 380 G N 0.164 108.449 108.800 -0.857 0.000 2.513 380 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.219 380 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.219 380 G C 1.751 176.346 174.900 -0.507 0.000 1.160 380 G CA 1.313 45.865 45.100 -0.914 0.000 0.767 380 G HN 0.394 nan 8.290 nan 0.000 0.571 381 S N -0.373 115.019 115.700 -0.514 0.000 2.356 381 S HA -0.082 4.388 4.470 -0.000 0.000 0.223 381 S C 1.943 176.378 174.600 -0.275 0.000 1.032 381 S CA 1.046 59.076 58.200 -0.285 0.000 1.005 381 S CB -0.546 62.528 63.200 -0.211 0.000 0.867 381 S HN 0.593 nan 8.310 nan 0.000 0.449 382 H N 0.991 119.867 119.070 -0.323 0.000 2.290 382 H HA -0.037 4.519 4.556 -0.000 0.000 0.298 382 H C 2.113 177.350 175.328 -0.152 0.000 1.087 382 H CA 1.437 57.373 56.048 -0.186 0.000 1.291 382 H CB -0.235 29.528 29.762 0.003 0.000 1.369 382 H HN 0.256 nan 8.280 nan 0.000 0.492 383 L N 0.124 121.343 121.223 -0.006 0.000 2.093 383 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 383 L C 2.497 179.336 176.870 -0.051 0.000 1.085 383 L CA 0.428 55.256 54.840 -0.019 0.000 0.755 383 L CB -0.265 41.774 42.059 -0.034 0.000 0.904 383 L HN 0.200 nan 8.230 nan 0.000 0.435 384 L N -0.037 121.128 121.223 -0.095 0.000 2.201 384 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 384 L C 2.046 178.823 176.870 -0.154 0.000 1.105 384 L CA 1.621 56.413 54.840 -0.079 0.000 0.775 384 L CB -0.547 41.488 42.059 -0.041 0.000 0.913 384 L HN 0.271 nan 8.230 nan 0.000 0.440 385 N N -2.452 116.031 118.700 -0.361 0.000 2.510 385 N HA -0.002 4.738 4.740 -0.000 0.000 0.186 385 N C 1.045 176.338 175.510 -0.362 0.000 1.051 385 N CA 0.757 53.461 53.050 -0.576 0.000 0.877 385 N CB 0.136 37.764 38.487 -1.433 0.000 1.183 385 N HN 0.290 nan 8.380 nan 0.000 0.443 386 Y N -0.069 120.152 120.300 -0.132 0.000 2.444 386 Y HA 0.393 4.943 4.550 -0.000 0.000 0.249 386 Y C 1.437 177.309 175.900 -0.047 0.000 1.134 386 Y CA -0.367 57.688 58.100 -0.075 0.000 1.261 386 Y CB -0.055 38.316 38.460 -0.147 0.000 1.143 386 Y HN 0.019 nan 8.280 nan 0.000 0.523 387 G N 1.870 110.715 108.800 0.075 0.000 2.249 387 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.273 387 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.273 387 G C 0.102 175.031 174.900 0.048 0.000 1.036 387 G CA 0.582 45.712 45.100 0.050 0.000 0.824 387 G HN 0.568 nan 8.290 nan 0.000 0.504 388 R N -2.799 117.742 120.500 0.067 0.000 3.321 388 R HA 0.500 4.840 4.340 -0.000 0.000 0.271 388 R C -0.777 175.577 176.300 0.090 0.000 0.994 388 R CA -1.040 55.084 56.100 0.040 0.000 0.920 388 R CB 0.447 30.748 30.300 0.003 0.000 1.271 388 R HN 0.317 nan 8.270 nan 0.000 0.531 389 R N 2.152 122.684 120.500 0.053 0.000 2.441 389 R HA 0.475 4.815 4.340 -0.000 0.000 0.284 389 R C -0.703 175.642 176.300 0.076 0.000 1.070 389 R CA -0.169 56.003 56.100 0.120 0.000 1.047 389 R CB 0.650 30.928 30.300 -0.038 0.000 1.016 389 R HN 0.666 nan 8.270 nan 0.000 0.477 390 I N 4.206 124.917 120.570 0.236 0.000 2.382 390 I HA 0.194 4.364 4.170 -0.000 0.000 0.285 390 I C 0.052 176.024 176.117 -0.243 0.000 1.007 390 I CA -0.761 60.389 61.300 -0.249 0.000 1.142 390 I CB 1.657 39.154 38.000 -0.838 0.000 1.289 390 I HN 0.864 nan 8.210 nan 0.000 0.453 391 S N 5.917 121.474 115.700 -0.237 0.000 2.576 391 S HA 0.195 4.665 4.470 -0.000 0.000 0.272 391 S C 1.167 175.697 174.600 -0.115 0.000 1.352 391 S CA -0.492 57.618 58.200 -0.149 0.000 1.021 391 S CB 1.000 64.124 63.200 -0.127 0.000 0.887 391 S HN 0.597 nan 8.310 nan 0.000 0.542 392 L N 0.652 121.881 121.223 0.010 0.000 2.131 392 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 392 L C 2.912 179.827 176.870 0.076 0.000 1.092 392 L CA 1.894 56.813 54.840 0.132 0.000 0.759 392 L CB -0.613 41.501 42.059 0.092 0.000 0.903 392 L HN 0.938 nan 8.230 nan 0.000 0.435 393 E N 0.309 120.491 120.200 -0.030 0.000 2.153 393 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 393 E C 2.038 178.621 176.600 -0.029 0.000 0.988 393 E CA 1.166 57.535 56.400 -0.053 0.000 0.811 393 E CB 0.128 29.776 29.700 -0.087 0.000 0.746 393 E HN 0.473 nan 8.360 nan 0.000 0.466 394 E N -0.221 119.927 120.200 -0.088 0.000 2.028 394 E HA -0.161 4.188 4.350 -0.000 0.000 0.190 394 E C 1.770 178.366 176.600 -0.006 0.000 0.984 394 E CA 0.994 57.316 56.400 -0.130 0.000 0.800 394 E CB -0.266 29.249 29.700 -0.309 0.000 0.758 394 E HN 0.407 nan 8.360 nan 0.000 0.448 395 W N 1.638 122.939 121.300 0.000 0.000 2.301 395 W HA -0.269 4.391 4.660 -0.000 0.000 0.325 395 W C 2.381 178.923 176.519 0.038 0.000 1.250 395 W CA 0.818 58.175 57.345 0.020 0.000 1.261 395 W CB -0.356 29.129 29.460 0.042 0.000 1.157 395 W HN 0.266 nan 8.180 nan 0.000 0.473 396 D N -0.180 120.410 120.400 0.318 0.000 2.158 396 D HA -0.217 4.423 4.640 -0.000 0.000 0.197 396 D C 2.151 178.552 176.300 0.168 0.000 0.995 396 D CA 1.809 55.949 54.000 0.232 0.000 0.846 396 D CB -0.282 40.642 40.800 0.206 0.000 0.941 396 D HN 0.111 nan 8.370 nan 0.000 0.456 397 S N -0.156 115.618 115.700 0.123 0.000 2.368 397 S HA -0.136 4.333 4.470 -0.000 0.000 0.225 397 S C 2.066 176.725 174.600 0.099 0.000 1.030 397 S CA 0.943 59.192 58.200 0.082 0.000 0.999 397 S CB -0.011 63.209 63.200 0.034 0.000 0.844 397 S HN 0.273 nan 8.310 nan 0.000 0.459 398 R N 0.249 120.834 120.500 0.141 0.000 2.066 398 R HA 0.127 4.467 4.340 -0.000 0.000 0.232 398 R C 2.371 178.759 176.300 0.147 0.000 1.131 398 R CA 1.626 57.820 56.100 0.156 0.000 0.955 398 R CB -0.503 29.947 30.300 0.250 0.000 0.851 398 R HN 0.443 nan 8.270 nan 0.000 0.432 399 I N 0.683 121.353 120.570 0.168 0.000 2.208 399 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 399 I C 2.013 178.190 176.117 0.100 0.000 1.097 399 I CA 1.252 62.627 61.300 0.125 0.000 1.363 399 I CB -0.210 37.864 38.000 0.124 0.000 1.051 399 I HN 0.109 nan 8.210 nan 0.000 0.413 400 S N 0.709 116.471 115.700 0.104 0.000 2.399 400 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 400 S C 2.131 176.771 174.600 0.066 0.000 1.022 400 S CA 1.217 59.468 58.200 0.084 0.000 0.983 400 S CB -0.261 62.992 63.200 0.088 0.000 0.803 400 S HN 0.557 nan 8.310 nan 0.000 0.480 401 A N 1.034 123.894 122.820 0.066 0.000 2.119 401 A HA 0.174 4.494 4.320 -0.000 0.000 0.217 401 A C 0.938 178.551 177.584 0.048 0.000 1.153 401 A CA 0.274 52.343 52.037 0.053 0.000 0.692 401 A CB -0.305 18.726 19.000 0.051 0.000 0.799 401 A HN 0.277 nan 8.150 nan 0.000 0.458 402 V N 2.468 122.414 119.914 0.054 0.000 2.572 402 V HA 0.315 4.435 4.120 -0.000 0.000 0.291 402 V C -0.232 175.886 176.094 0.040 0.000 1.039 402 V CA -0.087 62.241 62.300 0.047 0.000 1.055 402 V CB 0.649 32.504 31.823 0.053 0.000 0.969 402 V HN 0.699 nan 8.190 nan 0.000 0.482 403 D N 3.419 123.838 120.400 0.032 0.000 2.566 403 D HA 0.630 5.269 4.640 -0.000 0.000 0.254 403 D C 0.746 177.060 176.300 0.023 0.000 1.090 403 D CA -0.167 53.850 54.000 0.028 0.000 1.034 403 D CB 1.586 42.400 40.800 0.023 0.000 1.434 403 D HN 0.429 nan 8.370 nan 0.000 0.509 404 A N 0.496 123.329 122.820 0.022 0.000 1.869 404 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 404 A C 2.103 179.695 177.584 0.012 0.000 1.203 404 A CA 2.651 54.699 52.037 0.019 0.000 0.638 404 A CB -0.960 18.050 19.000 0.017 0.000 0.831 404 A HN 0.680 nan 8.150 nan 0.000 0.450 405 R N -1.170 119.336 120.500 0.009 0.000 2.113 405 R HA -0.206 4.134 4.340 -0.000 0.000 0.244 405 R C 2.291 178.591 176.300 0.000 0.000 1.142 405 R CA 2.191 58.293 56.100 0.003 0.000 0.953 405 R CB -0.352 29.949 30.300 0.002 0.000 0.860 405 R HN 0.610 nan 8.270 nan 0.000 0.438 406 M N -0.114 119.489 119.600 0.006 0.000 2.159 406 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 406 M C 1.920 178.220 176.300 0.001 0.000 1.063 406 M CA 1.474 56.777 55.300 0.006 0.000 1.110 406 M CB 0.165 32.774 32.600 0.015 0.000 1.374 406 M HN 0.116 nan 8.290 nan 0.000 0.411 407 V N 0.353 120.270 119.914 0.004 0.000 2.295 407 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 407 V C 2.295 178.382 176.094 -0.012 0.000 1.049 407 V CA 1.924 64.223 62.300 -0.001 0.000 1.024 407 V CB -0.790 31.042 31.823 0.015 0.000 0.648 407 V HN 0.477 nan 8.190 nan 0.000 0.447 408 R N 0.035 120.531 120.500 -0.007 0.000 2.083 408 R HA -0.181 4.158 4.340 -0.000 0.000 0.237 408 R C 2.115 178.397 176.300 -0.029 0.000 1.137 408 R CA 1.933 58.024 56.100 -0.014 0.000 0.951 408 R CB -0.611 29.682 30.300 -0.012 0.000 0.851 408 R HN 0.550 nan 8.270 nan 0.000 0.434 409 D N 0.170 120.553 120.400 -0.028 0.000 2.104 409 D HA -0.126 4.514 4.640 -0.000 0.000 0.194 409 D C 2.037 178.317 176.300 -0.033 0.000 0.994 409 D CA 1.090 55.069 54.000 -0.036 0.000 0.830 409 D CB -0.328 40.456 40.800 -0.027 0.000 0.959 409 D HN 0.025 nan 8.370 nan 0.000 0.452 410 V N 0.722 120.627 119.914 -0.015 0.000 2.307 410 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 410 V C 2.748 178.851 176.094 0.014 0.000 1.045 410 V CA 1.250 63.562 62.300 0.021 0.000 1.024 410 V CB -0.484 31.344 31.823 0.007 0.000 0.651 410 V HN 0.279 nan 8.190 nan 0.000 0.449 411 C N -0.335 118.928 119.300 -0.062 0.000 2.432 411 C HA -0.143 4.317 4.460 -0.000 0.000 0.277 411 C C 3.156 178.105 174.990 -0.069 0.000 1.249 411 C CA 1.452 60.398 59.018 -0.119 0.000 1.725 411 C CB -1.078 26.602 27.740 -0.100 0.000 2.028 411 C HN 0.598 nan 8.230 nan 0.000 0.477 412 S N 0.286 115.963 115.700 -0.037 0.000 2.383 412 S HA -0.240 4.230 4.470 -0.000 0.000 0.229 412 S C 1.885 176.468 174.600 -0.029 0.000 1.030 412 S CA 1.720 59.914 58.200 -0.010 0.000 1.002 412 S CB -0.349 62.807 63.200 -0.075 0.000 0.829 412 S HN 0.716 nan 8.310 nan 0.000 0.467 413 K N -0.006 120.334 120.400 -0.101 0.000 2.026 413 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 413 K C 1.550 177.924 176.600 -0.377 0.000 1.048 413 K CA 1.549 57.689 56.287 -0.245 0.000 0.929 413 K CB -0.218 32.085 32.500 -0.327 0.000 0.713 413 K HN 0.410 nan 8.250 nan 0.000 0.439 414 Y N -0.190 119.994 120.300 -0.193 0.000 2.503 414 Y HA 0.134 4.684 4.550 -0.000 0.000 0.278 414 Y C 1.721 177.475 175.900 -0.243 0.000 1.111 414 Y CA 0.320 58.271 58.100 -0.248 0.000 1.270 414 Y CB 0.356 38.581 38.460 -0.392 0.000 1.063 414 Y HN 0.023 nan 8.280 nan 0.000 0.548 415 I N -2.713 117.791 120.570 -0.111 0.000 3.132 415 I HA -0.066 4.104 4.170 -0.000 0.000 0.255 415 I C 0.250 176.366 176.117 -0.002 0.000 1.118 415 I CA -0.228 60.980 61.300 -0.154 0.000 1.463 415 I CB -0.317 37.488 38.000 -0.326 0.000 1.356 415 I HN -0.155 nan 8.210 nan 0.000 0.463 416 Y N 4.054 124.329 120.300 -0.043 0.000 2.865 416 Y HA -0.201 4.349 4.550 -0.000 0.000 0.338 416 Y C 0.710 176.647 175.900 0.061 0.000 1.269 416 Y CA 0.602 58.724 58.100 0.037 0.000 1.585 416 Y CB -0.258 38.220 38.460 0.029 0.000 1.224 416 Y HN 0.259 nan 8.280 nan 0.000 0.554 417 D N 2.680 122.814 120.400 -0.444 0.000 2.708 417 D HA -0.226 4.414 4.640 -0.000 0.000 0.236 417 D C -0.923 175.367 176.300 -0.017 0.000 1.146 417 D CA 0.781 54.662 54.000 -0.197 0.000 0.662 417 D CB -0.487 40.203 40.800 -0.183 0.000 1.059 417 D HN 0.367 nan 8.370 nan 0.000 0.428 418 K N -0.368 120.043 120.400 0.019 0.000 2.166 418 K HA 0.525 4.845 4.320 -0.000 0.000 0.245 418 K C -0.142 176.533 176.600 0.125 0.000 0.967 418 K CA -0.577 55.748 56.287 0.063 0.000 0.863 418 K CB 1.568 34.092 32.500 0.041 0.000 1.107 418 K HN 0.120 nan 8.250 nan 0.000 0.436 419 C N 3.999 123.409 119.300 0.182 0.000 2.303 419 C HA 0.349 4.809 4.460 -0.000 0.000 0.341 419 C C -1.576 173.627 174.990 0.355 0.000 1.244 419 C CA -1.155 58.025 59.018 0.269 0.000 1.765 419 C CB 0.176 28.085 27.740 0.281 0.000 2.379 419 C HN 0.548 nan 8.230 nan 0.000 0.530 420 P HA 0.467 nan 4.420 nan 0.000 0.279 420 P C -1.042 176.463 177.300 0.341 0.000 1.276 420 P CA -0.209 63.097 63.100 0.344 0.000 0.801 420 P CB 1.146 32.974 31.700 0.213 0.000 1.127 421 A N 0.927 123.908 122.820 0.268 0.000 2.318 421 A HA 0.622 4.941 4.320 -0.000 0.000 0.324 421 A C -0.977 176.638 177.584 0.050 0.000 1.170 421 A CA -0.596 51.483 52.037 0.070 0.000 0.810 421 A CB 0.237 19.196 19.000 -0.068 0.000 1.198 421 A HN 0.538 nan 8.150 nan 0.000 0.484 422 L N 2.276 123.523 121.223 0.041 0.000 2.386 422 L HA 0.871 5.211 4.340 -0.000 0.000 0.271 422 L C -0.251 176.599 176.870 -0.032 0.000 0.993 422 L CA -0.062 54.776 54.840 -0.003 0.000 0.819 422 L CB 1.974 44.068 42.059 0.059 0.000 1.294 422 L HN 0.930 nan 8.230 nan 0.000 0.414 423 A N 4.106 126.890 122.820 -0.061 0.000 2.375 423 A HA 0.939 5.259 4.320 -0.000 0.000 0.295 423 A C -1.195 176.367 177.584 -0.038 0.000 1.066 423 A CA 0.018 52.036 52.037 -0.031 0.000 0.722 423 A CB 1.368 20.370 19.000 0.003 0.000 1.206 423 A HN 1.106 nan 8.150 nan 0.000 0.435 424 A N 1.978 124.792 122.820 -0.010 0.000 2.374 424 A HA 0.787 5.107 4.320 -0.000 0.000 0.305 424 A C -0.971 176.643 177.584 0.050 0.000 1.053 424 A CA -0.491 51.545 52.037 -0.002 0.000 0.726 424 A CB 1.398 20.390 19.000 -0.014 0.000 1.229 424 A HN 1.356 nan 8.150 nan 0.000 0.431 425 V N 1.418 121.381 119.914 0.082 0.000 2.876 425 V HA 0.903 5.023 4.120 -0.000 0.000 0.312 425 V C 0.791 176.942 176.094 0.095 0.000 1.085 425 V CA 0.489 62.850 62.300 0.102 0.000 0.945 425 V CB 1.152 33.045 31.823 0.117 0.000 1.017 425 V HN 2.424 nan 8.190 nan 0.000 0.428 426 G N 4.376 113.221 108.800 0.076 0.000 2.466 426 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.218 426 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.218 426 G C -2.783 172.154 174.900 0.061 0.000 1.237 426 G CA -0.171 44.973 45.100 0.074 0.000 0.954 426 G HN 0.687 nan 8.290 nan 0.000 0.580 427 P HA 0.318 nan 4.420 nan 0.000 0.231 427 P C 0.833 178.167 177.300 0.056 0.000 1.811 427 P CA 0.052 63.184 63.100 0.053 0.000 1.051 427 P CB -1.018 30.714 31.700 0.054 0.000 1.951 428 I N -1.848 118.751 120.570 0.050 0.000 3.864 428 I HA 0.244 4.414 4.170 -0.000 0.000 0.326 428 I C 1.432 177.572 176.117 0.038 0.000 1.444 428 I CA -0.285 61.044 61.300 0.049 0.000 1.195 428 I CB -0.355 37.670 38.000 0.042 0.000 1.124 428 I HN 0.030 nan 8.210 nan 0.000 0.407 429 E N 1.672 121.891 120.200 0.032 0.000 2.153 429 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 429 E C 2.037 178.651 176.600 0.023 0.000 0.988 429 E CA 1.113 57.527 56.400 0.024 0.000 0.811 429 E CB 0.077 29.788 29.700 0.018 0.000 0.746 429 E HN 0.737 nan 8.360 nan 0.000 0.466 430 Q N 0.177 119.993 119.800 0.028 0.000 2.378 430 Q HA -0.040 4.300 4.340 -0.000 0.000 0.205 430 Q C 0.213 176.231 176.000 0.030 0.000 0.954 430 Q CA -0.102 55.714 55.803 0.022 0.000 0.901 430 Q CB 0.154 28.904 28.738 0.019 0.000 0.981 430 Q HN 0.178 nan 8.270 nan 0.000 0.483 431 L N 2.062 123.312 121.223 0.046 0.000 2.433 431 L HA 0.118 4.457 4.340 -0.000 0.000 0.275 431 L C -0.393 176.499 176.870 0.037 0.000 1.128 431 L CA 0.292 55.165 54.840 0.056 0.000 0.875 431 L CB 0.213 42.310 42.059 0.064 0.000 1.171 431 L HN 0.060 nan 8.230 nan 0.000 0.463 432 L N 3.882 125.122 121.223 0.029 0.000 2.473 432 L HA 0.079 4.419 4.340 -0.000 0.000 0.265 432 L C 0.809 177.694 176.870 0.024 0.000 1.243 432 L CA -0.245 54.606 54.840 0.019 0.000 0.822 432 L CB 0.155 42.220 42.059 0.010 0.000 1.101 432 L HN 0.748 nan 8.230 nan 0.000 0.507 433 D N -0.254 120.164 120.400 0.029 0.000 2.363 433 D HA -0.166 4.474 4.640 -0.000 0.000 0.240 433 D C 0.853 177.188 176.300 0.057 0.000 1.236 433 D CA -0.167 53.866 54.000 0.055 0.000 0.927 433 D CB 0.618 41.455 40.800 0.061 0.000 1.150 433 D HN 0.504 nan 8.370 nan 0.000 0.458 434 Y N 1.104 121.405 120.300 0.003 0.000 2.114 434 Y HA -0.294 4.256 4.550 -0.000 0.000 0.282 434 Y C 2.198 178.109 175.900 0.017 0.000 1.165 434 Y CA 2.221 60.324 58.100 0.005 0.000 1.148 434 Y CB -0.385 38.074 38.460 -0.002 0.000 0.972 434 Y HN 0.385 nan 8.280 nan 0.000 0.504 435 N N 0.010 118.786 118.700 0.126 0.000 2.061 435 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 435 N C 1.901 177.399 175.510 -0.020 0.000 1.030 435 N CA 1.472 54.564 53.050 0.071 0.000 0.856 435 N CB -0.287 38.258 38.487 0.096 0.000 1.023 435 N HN 0.325 nan 8.380 nan 0.000 0.424 436 R N 0.997 121.484 120.500 -0.022 0.000 2.081 436 R HA 0.030 4.370 4.340 -0.000 0.000 0.235 436 R C 2.364 178.609 176.300 -0.093 0.000 1.131 436 R CA 0.521 56.599 56.100 -0.038 0.000 0.960 436 R CB -0.869 29.423 30.300 -0.014 0.000 0.856 436 R HN 0.373 nan 8.270 nan 0.000 0.436 437 I N 0.394 120.877 120.570 -0.145 0.000 2.226 437 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 437 I C 2.595 178.565 176.117 -0.246 0.000 1.100 437 I CA 1.106 62.291 61.300 -0.191 0.000 1.374 437 I CB -0.274 37.581 38.000 -0.240 0.000 1.057 437 I HN 0.043 nan 8.210 nan 0.000 0.413 438 R N 1.271 121.565 120.500 -0.344 0.000 2.105 438 R HA -0.136 4.204 4.340 -0.000 0.000 0.239 438 R C 2.186 178.416 176.300 -0.117 0.000 1.135 438 R CA 1.893 57.853 56.100 -0.234 0.000 0.967 438 R CB -0.562 29.646 30.300 -0.154 0.000 0.861 438 R HN 0.164 nan 8.270 nan 0.000 0.442 439 S N -0.766 114.847 115.700 -0.144 0.000 2.447 439 S HA 0.004 4.474 4.470 -0.000 0.000 0.233 439 S C 1.575 175.842 174.600 -0.555 0.000 1.006 439 S CA 0.954 58.951 58.200 -0.338 0.000 0.957 439 S CB -0.060 63.038 63.200 -0.170 0.000 0.773 439 S HN 0.662 nan 8.310 nan 0.000 0.507 440 G N 0.620 109.244 108.800 -0.294 0.000 2.848 440 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.208 440 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.208 440 G C 0.940 175.720 174.900 -0.199 0.000 1.152 440 G CA 0.114 45.071 45.100 -0.238 0.000 0.789 440 G HN 0.348 nan 8.290 nan 0.000 0.531 441 M N 0.135 119.598 119.600 -0.228 0.000 2.563 441 M HA 0.286 4.766 4.480 -0.000 0.000 0.231 441 M C -0.292 175.878 176.300 -0.217 0.000 1.136 441 M CA -0.115 55.126 55.300 -0.099 0.000 1.026 441 M CB -0.945 31.654 32.600 -0.003 0.000 1.597 441 M HN 0.459 nan 8.290 nan 0.000 0.495 442 Y N -4.235 115.953 120.300 -0.187 0.000 2.581 442 Y HA 0.493 5.043 4.550 -0.000 0.000 0.337 442 Y C -0.773 175.270 175.900 0.238 0.000 1.108 442 Y CA -2.418 55.517 58.100 -0.275 0.000 1.033 442 Y CB 0.146 38.350 38.460 -0.427 0.000 1.318 442 Y HN 0.250 nan 8.280 nan 0.000 0.459 443 W N 2.807 124.371 121.300 0.440 0.000 3.103 443 W HA 0.078 4.738 4.660 -0.000 0.000 0.449 443 W C -1.327 175.277 176.519 0.140 0.000 1.840 443 W CA 0.926 58.461 57.345 0.315 0.000 0.465 443 W CB -1.030 28.605 29.460 0.292 0.000 2.860 443 W HN 1.308 nan 8.180 nan 0.000 0.428 444 I N 0.000 120.648 120.570 0.129 0.000 2.984 444 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 444 I CA 0.000 61.214 61.300 -0.144 0.000 1.566 444 I CB 0.000 nan 38.000 nan 0.000 1.214 444 I HN 0.000 nan 8.210 nan 0.000 0.494