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 2jis_1_A DATA FIRST_RESID 7 DATA SEQUENCE LPSLAGDPVA VEALLRAVFG VVVDEAIQKG TSVSQKVCEW KEPEELKQLL DATA SEQUENCE DLELRSQGES QKQILERCRA VIRYSVKTGH PRFFNQLFSG LDPHALAGRI DATA SEQUENCE ITESLNTSQY TYEIAPVFVL MEEEVLRKLR ALVGWSSGDG IFCPGGSISN DATA SEQUENCE MYAVNLARYQ RYPDCKQRGL RTLPPLALFT SKECHYSIQK GAAFLGLGTD DATA SEQUENCE SVRVVKADER GKMVPEDLER QIGMAEAEGA VPFLVSATSG TTVLGAFDPL DATA SEQUENCE EAIADVCQRH GLWLHVDAAW GGSVLLSQTH RHLLDGIQRA DSVAWNPHKL DATA SEQUENCE LAAGLQCSAL LLQDTSNLLK RCHGSXXXXX XXXXKFYDVA LDTGDKVVQC DATA SEQUENCE GRRVDCLKLW LMWKAQGDQG LERRIDQAFV LARYLVEEMK KREGFELVME DATA SEQUENCE PEFVNVCFWF VPPSLRGKQE SPDYHERLSK VAPVLKERMV KEGSMMIGYQ DATA SEQUENCE PHGTRGNFFR VVVANSALTC ADMDFLLNEL ERLGQDL 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.869 176.870 -0.002 0.000 1.165 7 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 7 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 8 P HA 0.371 nan 4.420 nan 0.000 0.282 8 P C -0.424 176.875 177.300 -0.003 0.000 1.259 8 P CA -0.468 62.630 63.100 -0.002 0.000 0.826 8 P CB 1.761 33.459 31.700 -0.003 0.000 1.064 9 S N 0.501 116.199 115.700 -0.003 0.000 2.558 9 S HA 0.038 4.508 4.470 -0.000 0.000 0.291 9 S C 0.733 175.331 174.600 -0.003 0.000 1.306 9 S CA -0.316 57.882 58.200 -0.003 0.000 1.056 9 S CB -0.338 62.860 63.200 -0.003 0.000 0.836 9 S HN 0.416 nan 8.310 nan 0.000 0.504 10 L N 4.111 125.332 121.223 -0.004 0.000 2.910 10 L HA 0.309 4.649 4.340 -0.000 0.000 0.252 10 L C 1.880 178.747 176.870 -0.004 0.000 1.195 10 L CA 0.086 54.924 54.840 -0.004 0.000 1.003 10 L CB -0.369 41.688 42.059 -0.004 0.000 1.328 10 L HN 0.831 nan 8.230 nan 0.000 0.540 11 A N 0.099 122.916 122.820 -0.004 0.000 2.072 11 A HA 0.503 4.823 4.320 -0.000 0.000 0.216 11 A C 1.166 178.747 177.584 -0.004 0.000 1.156 11 A CA 0.791 52.826 52.037 -0.005 0.000 0.701 11 A CB 0.024 19.021 19.000 -0.005 0.000 0.816 11 A HN 0.428 nan 8.150 nan 0.000 0.458 12 G N -0.587 108.211 108.800 -0.004 0.000 2.528 12 G HA2 0.203 4.163 3.960 -0.000 0.000 0.681 12 G HA3 0.203 4.163 3.960 -0.000 0.000 0.681 12 G C -1.273 173.625 174.900 -0.004 0.000 1.340 12 G CA -0.248 44.849 45.100 -0.004 0.000 0.855 12 G HN 0.280 nan 8.290 nan 0.000 0.649 13 D N 2.129 122.527 120.400 -0.003 0.000 2.401 13 D HA 0.340 4.980 4.640 -0.000 0.000 0.254 13 D C -0.558 175.740 176.300 -0.003 0.000 1.192 13 D CA -1.714 52.284 54.000 -0.003 0.000 0.885 13 D CB 1.430 42.229 40.800 -0.003 0.000 1.147 13 D HN 0.032 nan 8.370 nan 0.000 0.478 14 P HA -0.154 nan 4.420 nan 0.000 0.217 14 P C 1.534 178.832 177.300 -0.005 0.000 1.148 14 P CA 0.515 63.612 63.100 -0.005 0.000 0.828 14 P CB 0.325 32.021 31.700 -0.006 0.000 0.783 15 V N 0.147 120.059 119.914 -0.004 0.000 2.307 15 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 15 V C 2.491 178.585 176.094 -0.001 0.000 1.045 15 V CA 2.206 64.505 62.300 -0.003 0.000 1.024 15 V CB -1.707 30.115 31.823 -0.002 0.000 0.651 15 V HN 0.106 nan 8.190 nan 0.000 0.449 16 A N -0.195 122.625 122.820 -0.001 0.000 1.902 16 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 16 A C 2.399 179.983 177.584 0.001 0.000 1.181 16 A CA 2.096 54.133 52.037 0.000 0.000 0.623 16 A CB -0.702 18.298 19.000 -0.001 0.000 0.818 16 A HN 0.329 nan 8.150 nan 0.000 0.443 17 V N -0.040 119.873 119.914 -0.001 0.000 2.295 17 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 17 V C 2.542 178.635 176.094 -0.001 0.000 1.049 17 V CA 2.387 64.686 62.300 -0.001 0.000 1.024 17 V CB -0.729 31.091 31.823 -0.004 0.000 0.648 17 V HN 0.780 nan 8.190 nan 0.000 0.447 18 E N 0.096 120.295 120.200 -0.003 0.000 2.077 18 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 18 E C 2.241 178.843 176.600 0.003 0.000 0.989 18 E CA 1.372 57.770 56.400 -0.004 0.000 0.800 18 E CB -0.243 29.453 29.700 -0.007 0.000 0.746 18 E HN 0.563 nan 8.360 nan 0.000 0.452 19 A N 1.061 123.885 122.820 0.005 0.000 1.902 19 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 19 A C 2.151 179.744 177.584 0.015 0.000 1.181 19 A CA 1.445 53.488 52.037 0.010 0.000 0.623 19 A CB -0.732 18.273 19.000 0.007 0.000 0.818 19 A HN 0.398 nan 8.150 nan 0.000 0.443 20 L N -0.304 120.926 121.223 0.012 0.000 1.989 20 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 20 L C 2.304 179.189 176.870 0.026 0.000 1.071 20 L CA 1.908 56.758 54.840 0.015 0.000 0.749 20 L CB -0.456 41.608 42.059 0.010 0.000 0.890 20 L HN 0.394 nan 8.230 nan 0.000 0.431 21 L N -0.949 120.288 121.223 0.024 0.000 2.093 21 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 21 L C 2.788 179.700 176.870 0.069 0.000 1.085 21 L CA 1.068 55.929 54.840 0.036 0.000 0.755 21 L CB -0.476 41.589 42.059 0.011 0.000 0.904 21 L HN 0.235 nan 8.230 nan 0.000 0.435 22 R N -0.063 120.470 120.500 0.055 0.000 2.096 22 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 22 R C 2.397 178.771 176.300 0.123 0.000 1.127 22 R CA 1.349 57.504 56.100 0.092 0.000 0.968 22 R CB -0.451 29.881 30.300 0.053 0.000 0.861 22 R HN 0.352 nan 8.270 nan 0.000 0.440 23 A N 0.650 123.513 122.820 0.072 0.000 1.898 23 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 23 A C 2.356 179.969 177.584 0.048 0.000 1.181 23 A CA 1.097 53.163 52.037 0.050 0.000 0.620 23 A CB -0.445 18.571 19.000 0.026 0.000 0.819 23 A HN 0.097 nan 8.150 nan 0.000 0.442 24 V N -1.051 118.898 119.914 0.060 0.000 2.332 24 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 24 V C 2.291 178.430 176.094 0.076 0.000 1.055 24 V CA 2.226 64.557 62.300 0.051 0.000 1.038 24 V CB -0.949 30.907 31.823 0.055 0.000 0.651 24 V HN 0.637 nan 8.190 nan 0.000 0.450 25 F N 1.940 121.879 119.950 -0.019 0.000 2.134 25 F HA -0.058 4.469 4.527 -0.000 0.000 0.299 25 F C 2.177 177.964 175.800 -0.022 0.000 1.097 25 F CA 1.592 59.580 58.000 -0.020 0.000 1.264 25 F CB -0.922 38.068 39.000 -0.017 0.000 1.001 25 F HN 0.136 nan 8.300 nan 0.000 0.479 26 G N 0.012 108.788 108.800 -0.040 0.000 2.446 26 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 26 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 26 G C 1.774 176.570 174.900 -0.173 0.000 1.168 26 G CA 1.312 46.331 45.100 -0.136 0.000 0.771 26 G HN 0.347 nan 8.290 nan 0.000 0.551 27 V N 0.423 120.270 119.914 -0.111 0.000 2.343 27 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 27 V C 3.034 179.042 176.094 -0.143 0.000 1.051 27 V CA 1.487 63.724 62.300 -0.104 0.000 1.036 27 V CB -0.421 31.364 31.823 -0.064 0.000 0.654 27 V HN 0.250 nan 8.190 nan 0.000 0.451 28 V N -0.242 119.570 119.914 -0.170 0.000 2.287 28 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 28 V C 2.420 178.359 176.094 -0.258 0.000 1.053 28 V CA 2.077 64.265 62.300 -0.186 0.000 1.027 28 V CB -0.455 31.277 31.823 -0.151 0.000 0.646 28 V HN 0.408 nan 8.190 nan 0.000 0.447 29 V N 0.169 119.827 119.914 -0.426 0.000 2.295 29 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 29 V C 2.277 178.233 176.094 -0.231 0.000 1.049 29 V CA 2.233 64.296 62.300 -0.395 0.000 1.024 29 V CB -0.725 30.761 31.823 -0.561 0.000 0.648 29 V HN 0.551 nan 8.190 nan 0.000 0.447 30 D N -0.361 119.920 120.400 -0.198 0.000 2.097 30 D HA -0.114 4.526 4.640 -0.000 0.000 0.195 30 D C 2.255 178.486 176.300 -0.115 0.000 0.989 30 D CA 1.235 55.154 54.000 -0.134 0.000 0.827 30 D CB -0.054 40.681 40.800 -0.109 0.000 0.966 30 D HN 0.456 nan 8.370 nan 0.000 0.456 31 E N -0.241 119.888 120.200 -0.119 0.000 2.244 31 E HA 0.202 4.552 4.350 -0.000 0.000 0.196 31 E C 1.853 178.394 176.600 -0.099 0.000 0.939 31 E CA 0.393 56.731 56.400 -0.103 0.000 0.884 31 E CB 0.045 29.683 29.700 -0.104 0.000 0.850 31 E HN 0.152 nan 8.360 nan 0.000 0.481 32 A N 0.928 123.684 122.820 -0.107 0.000 1.924 32 A HA 0.128 4.448 4.320 -0.000 0.000 0.211 32 A C 2.190 179.720 177.584 -0.091 0.000 1.198 32 A CA 0.447 52.428 52.037 -0.093 0.000 0.657 32 A CB -0.277 18.669 19.000 -0.089 0.000 0.852 32 A HN 0.070 nan 8.150 nan 0.000 0.454 33 I N -0.874 119.630 120.570 -0.110 0.000 2.429 33 I HA -0.128 4.041 4.170 -0.000 0.000 0.247 33 I C 2.659 178.717 176.117 -0.097 0.000 1.099 33 I CA 0.725 61.964 61.300 -0.102 0.000 1.422 33 I CB -0.215 37.712 38.000 -0.122 0.000 1.112 33 I HN 0.271 nan 8.210 nan 0.000 0.430 34 Q N 1.175 120.913 119.800 -0.104 0.000 2.013 34 Q HA -0.081 4.259 4.340 -0.000 0.000 0.195 34 Q C 2.201 178.150 176.000 -0.085 0.000 0.974 34 Q CA 1.270 57.017 55.803 -0.093 0.000 0.826 34 Q CB -0.368 28.316 28.738 -0.091 0.000 0.895 34 Q HN 0.391 nan 8.270 nan 0.000 0.448 35 K N 0.366 120.720 120.400 -0.077 0.000 2.097 35 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 35 K C 1.986 178.562 176.600 -0.040 0.000 1.049 35 K CA 1.145 57.397 56.287 -0.059 0.000 0.933 35 K CB -0.343 32.123 32.500 -0.056 0.000 0.717 35 K HN 0.297 nan 8.250 nan 0.000 0.442 36 G N 0.508 109.279 108.800 -0.048 0.000 2.679 36 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.212 36 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.212 36 G C 1.138 176.018 174.900 -0.034 0.000 1.137 36 G CA 1.233 46.321 45.100 -0.019 0.000 0.787 36 G HN 0.423 nan 8.290 nan 0.000 0.534 37 T N -3.247 111.242 114.554 -0.109 0.000 3.145 37 T HA 0.417 4.767 4.350 -0.000 0.000 0.281 37 T C 0.609 175.125 174.700 -0.305 0.000 1.003 37 T CA 0.108 62.090 62.100 -0.196 0.000 0.901 37 T CB 0.636 69.425 68.868 -0.131 0.000 1.112 37 T HN 0.070 nan 8.240 nan 0.000 0.535 38 S N 1.638 117.174 115.700 -0.274 0.000 2.457 38 S HA 0.401 4.871 4.470 -0.000 0.000 0.289 38 S C 1.510 175.918 174.600 -0.320 0.000 1.163 38 S CA -0.437 57.620 58.200 -0.240 0.000 1.078 38 S CB 1.141 64.269 63.200 -0.119 0.000 0.987 38 S HN 0.481 nan 8.310 nan 0.000 0.482 39 V N 3.615 123.351 119.914 -0.297 0.000 3.078 39 V HA 0.012 4.132 4.120 -0.000 0.000 0.265 39 V C 1.604 177.655 176.094 -0.072 0.000 1.122 39 V CA 1.721 63.888 62.300 -0.221 0.000 1.141 39 V CB -1.004 30.685 31.823 -0.223 0.000 0.735 39 V HN 0.744 nan 8.190 nan 0.000 0.498 40 S N -0.343 115.325 115.700 -0.053 0.000 2.561 40 S HA 0.123 4.593 4.470 -0.000 0.000 0.225 40 S C 0.847 175.463 174.600 0.026 0.000 0.977 40 S CA 0.399 58.593 58.200 -0.010 0.000 0.926 40 S CB -0.211 62.977 63.200 -0.020 0.000 0.769 40 S HN 0.727 nan 8.310 nan 0.000 0.533 41 Q N 0.936 120.774 119.800 0.064 0.000 2.378 41 Q HA 0.434 4.774 4.340 -0.000 0.000 0.276 41 Q C -0.550 175.540 176.000 0.150 0.000 1.083 41 Q CA -0.530 55.323 55.803 0.084 0.000 0.856 41 Q CB 1.081 29.852 28.738 0.056 0.000 1.383 41 Q HN 0.146 nan 8.270 nan 0.000 0.458 42 K N 0.297 120.732 120.400 0.058 0.000 2.237 42 K HA 0.153 4.473 4.320 -0.000 0.000 0.270 42 K C 1.103 177.613 176.600 -0.150 0.000 1.015 42 K CA -0.238 56.036 56.287 -0.021 0.000 0.949 42 K CB 0.892 33.395 32.500 0.005 0.000 0.976 42 K HN 0.234 nan 8.250 nan 0.000 0.472 43 V N 1.185 120.874 119.914 -0.376 0.000 2.548 43 V HA -0.152 3.968 4.120 -0.000 0.000 0.249 43 V C 0.770 176.792 176.094 -0.120 0.000 1.055 43 V CA 0.950 62.985 62.300 -0.441 0.000 1.065 43 V CB -0.667 30.911 31.823 -0.407 0.000 0.681 43 V HN 0.970 nan 8.190 nan 0.000 0.462 44 C N -1.452 117.830 119.300 -0.030 0.000 3.082 44 C HA 0.689 5.149 4.460 -0.000 0.000 0.324 44 C C -0.497 174.553 174.990 0.099 0.000 1.210 44 C CA -1.195 57.858 59.018 0.059 0.000 1.366 44 C CB 1.387 29.209 27.740 0.136 0.000 1.756 44 C HN 0.426 nan 8.230 nan 0.000 0.485 45 E N 2.175 122.450 120.200 0.125 0.000 2.173 45 E HA 0.193 4.543 4.350 -0.000 0.000 0.249 45 E C -0.441 176.285 176.600 0.210 0.000 0.923 45 E CA -0.390 56.107 56.400 0.163 0.000 0.754 45 E CB 0.572 30.353 29.700 0.135 0.000 1.177 45 E HN 0.799 nan 8.360 nan 0.000 0.430 46 W N 5.932 127.274 121.300 0.071 0.000 2.264 46 W HA 0.092 4.752 4.660 -0.000 0.000 0.331 46 W C -1.016 175.529 176.519 0.042 0.000 1.364 46 W CA 0.112 57.489 57.345 0.053 0.000 1.253 46 W CB 0.734 30.217 29.460 0.038 0.000 1.215 46 W HN 0.307 nan 8.180 nan 0.000 0.561 47 K N 4.781 124.551 120.400 -1.049 0.000 2.468 47 K HA 0.177 4.497 4.320 -0.000 0.000 0.252 47 K C -0.209 175.679 176.600 -1.186 0.000 0.932 47 K CA -0.842 54.932 56.287 -0.853 0.000 0.794 47 K CB 1.862 34.039 32.500 -0.539 0.000 1.241 47 K HN 0.475 nan 8.250 nan 0.000 0.428 48 E N 2.343 122.158 120.200 -0.641 0.000 2.392 48 E HA 0.040 4.390 4.350 -0.000 0.000 0.264 48 E C -1.647 174.764 176.600 -0.315 0.000 1.024 48 E CA -1.641 54.555 56.400 -0.340 0.000 0.903 48 E CB 0.288 29.950 29.700 -0.063 0.000 0.963 48 E HN 0.193 nan 8.360 nan 0.000 0.432 49 P HA -0.218 nan 4.420 nan 0.000 0.216 49 P C 1.233 178.448 177.300 -0.143 0.000 1.154 49 P CA 1.486 64.484 63.100 -0.171 0.000 0.865 49 P CB 0.360 32.008 31.700 -0.087 0.000 0.789 50 E N -0.176 119.960 120.200 -0.107 0.000 2.072 50 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 50 E C 2.068 178.599 176.600 -0.115 0.000 0.985 50 E CA 1.331 57.678 56.400 -0.089 0.000 0.801 50 E CB -0.612 29.053 29.700 -0.057 0.000 0.750 50 E HN 0.267 nan 8.360 nan 0.000 0.452 51 E N -0.646 119.467 120.200 -0.144 0.000 2.072 51 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 51 E C 1.976 178.435 176.600 -0.236 0.000 0.985 51 E CA 0.932 57.230 56.400 -0.170 0.000 0.801 51 E CB -0.128 29.466 29.700 -0.175 0.000 0.750 51 E HN 0.273 nan 8.360 nan 0.000 0.452 52 L N 1.517 122.568 121.223 -0.287 0.000 2.093 52 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 52 L C 1.986 178.717 176.870 -0.231 0.000 1.085 52 L CA 1.752 56.387 54.840 -0.341 0.000 0.755 52 L CB -0.275 41.575 42.059 -0.349 0.000 0.904 52 L HN -0.021 nan 8.230 nan 0.000 0.435 53 K N -1.005 119.295 120.400 -0.167 0.000 2.063 53 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 53 K C 2.078 178.616 176.600 -0.105 0.000 1.048 53 K CA 1.533 57.751 56.287 -0.115 0.000 0.928 53 K CB -0.163 32.284 32.500 -0.089 0.000 0.713 53 K HN 0.406 nan 8.250 nan 0.000 0.442 54 Q N 0.625 120.358 119.800 -0.113 0.000 2.084 54 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 54 Q C 2.240 178.181 176.000 -0.098 0.000 0.978 54 Q CA 1.228 56.976 55.803 -0.092 0.000 0.844 54 Q CB -0.235 28.451 28.738 -0.085 0.000 0.898 54 Q HN 0.369 nan 8.270 nan 0.000 0.426 55 L N -0.082 121.049 121.223 -0.153 0.000 2.201 55 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 55 L C 2.125 178.944 176.870 -0.085 0.000 1.105 55 L CA 0.693 55.441 54.840 -0.152 0.000 0.775 55 L CB -0.208 41.640 42.059 -0.352 0.000 0.913 55 L HN 0.142 nan 8.230 nan 0.000 0.440 56 L N -1.321 119.847 121.223 -0.091 0.000 2.513 56 L HA 0.057 4.397 4.340 -0.000 0.000 0.222 56 L C 0.340 177.191 176.870 -0.031 0.000 1.096 56 L CA -0.142 54.672 54.840 -0.044 0.000 0.857 56 L CB -0.145 41.882 42.059 -0.053 0.000 1.026 56 L HN 0.177 nan 8.230 nan 0.000 0.469 57 D N 0.844 121.220 120.400 -0.040 0.000 2.890 57 D HA -0.225 4.415 4.640 -0.000 0.000 0.226 57 D C 0.773 177.058 176.300 -0.024 0.000 1.207 57 D CA 0.397 54.380 54.000 -0.029 0.000 0.764 57 D CB -0.752 40.035 40.800 -0.021 0.000 0.948 57 D HN 0.221 nan 8.370 nan 0.000 0.404 58 L N 0.325 121.531 121.223 -0.029 0.000 2.313 58 L HA 0.019 4.359 4.340 -0.000 0.000 0.214 58 L C 1.566 178.424 176.870 -0.020 0.000 1.119 58 L CA 0.463 55.289 54.840 -0.025 0.000 0.809 58 L CB -0.220 41.821 42.059 -0.030 0.000 0.933 58 L HN 0.375 nan 8.230 nan 0.000 0.449 59 E N 1.663 121.852 120.200 -0.020 0.000 2.480 59 E HA 0.013 4.363 4.350 -0.000 0.000 0.258 59 E C -0.498 176.093 176.600 -0.014 0.000 0.984 59 E CA -0.171 56.218 56.400 -0.017 0.000 0.930 59 E CB 0.501 30.191 29.700 -0.016 0.000 0.936 59 E HN 0.222 nan 8.360 nan 0.000 0.466 60 L N 5.852 127.067 121.223 -0.013 0.000 2.319 60 L HA 0.354 4.694 4.340 -0.000 0.000 0.280 60 L C 0.656 177.520 176.870 -0.010 0.000 1.099 60 L CA -0.075 54.758 54.840 -0.011 0.000 0.828 60 L CB 0.743 42.795 42.059 -0.011 0.000 1.150 60 L HN 0.553 nan 8.230 nan 0.000 0.442 61 R N 1.023 121.518 120.500 -0.009 0.000 2.930 61 R HA 0.330 4.670 4.340 -0.000 0.000 0.257 61 R C 0.710 177.005 176.300 -0.007 0.000 1.107 61 R CA -0.724 55.371 56.100 -0.008 0.000 0.999 61 R CB 1.554 31.849 30.300 -0.008 0.000 1.209 61 R HN 0.523 nan 8.270 nan 0.000 0.486 62 S N 0.151 115.847 115.700 -0.007 0.000 2.355 62 S HA -0.098 4.372 4.470 -0.000 0.000 0.222 62 S C 0.281 174.878 174.600 -0.006 0.000 1.031 62 S CA 1.399 59.596 58.200 -0.006 0.000 0.993 62 S CB 0.174 63.370 63.200 -0.006 0.000 0.859 62 S HN 0.407 nan 8.310 nan 0.000 0.453 63 Q N 0.458 120.255 119.800 -0.006 0.000 2.230 63 Q HA 0.525 4.865 4.340 -0.000 0.000 0.248 63 Q C 0.516 176.513 176.000 -0.005 0.000 0.915 63 Q CA -0.313 55.487 55.803 -0.005 0.000 0.900 63 Q CB 1.347 30.082 28.738 -0.005 0.000 1.229 63 Q HN 0.487 nan 8.270 nan 0.000 0.439 64 G N 1.215 110.012 108.800 -0.005 0.000 2.516 64 G HA2 0.265 4.225 3.960 -0.000 0.000 0.276 64 G HA3 0.265 4.225 3.960 -0.000 0.000 0.276 64 G C -0.482 174.415 174.900 -0.004 0.000 1.390 64 G CA -0.226 44.871 45.100 -0.005 0.000 1.050 64 G HN 0.586 nan 8.290 nan 0.000 0.519 65 E N -1.549 118.649 120.200 -0.004 0.000 2.416 65 E HA 0.423 4.773 4.350 -0.000 0.000 0.273 65 E C -0.459 176.139 176.600 -0.003 0.000 0.935 65 E CA -0.710 55.688 56.400 -0.003 0.000 0.784 65 E CB 2.136 31.834 29.700 -0.003 0.000 1.301 65 E HN 0.576 nan 8.360 nan 0.000 0.454 66 S N -0.122 115.576 115.700 -0.002 0.000 2.632 66 S HA 0.040 4.510 4.470 -0.000 0.000 0.267 66 S C 1.058 175.658 174.600 -0.001 0.000 1.276 66 S CA -0.404 57.795 58.200 -0.002 0.000 0.998 66 S CB 1.698 64.897 63.200 -0.001 0.000 0.953 66 S HN 0.729 nan 8.310 nan 0.000 0.547 67 Q N 0.863 120.663 119.800 -0.000 0.000 2.112 67 Q HA -0.233 4.106 4.340 -0.000 0.000 0.206 67 Q C 2.112 178.113 176.000 0.000 0.000 0.987 67 Q CA 1.970 57.773 55.803 0.001 0.000 0.858 67 Q CB -0.261 28.477 28.738 0.002 0.000 0.905 67 Q HN 0.868 nan 8.270 nan 0.000 0.420 68 K N -0.030 120.370 120.400 -0.000 0.000 2.032 68 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 68 K C 2.036 178.635 176.600 -0.001 0.000 1.048 68 K CA 1.870 58.156 56.287 -0.001 0.000 0.927 68 K CB -0.027 32.472 32.500 -0.001 0.000 0.712 68 K HN 0.304 nan 8.250 nan 0.000 0.441 69 Q N 0.124 119.924 119.800 -0.001 0.000 2.084 69 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 69 Q C 2.145 178.145 176.000 -0.000 0.000 0.978 69 Q CA 1.247 57.049 55.803 -0.000 0.000 0.844 69 Q CB -0.027 28.710 28.738 -0.001 0.000 0.898 69 Q HN 0.340 nan 8.270 nan 0.000 0.426 70 I N 0.771 121.340 120.570 -0.001 0.000 2.226 70 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 70 I C 2.220 178.337 176.117 -0.001 0.000 1.100 70 I CA 1.437 62.736 61.300 -0.001 0.000 1.374 70 I CB -0.956 37.043 38.000 -0.000 0.000 1.057 70 I HN 0.281 nan 8.210 nan 0.000 0.413 71 L N 0.158 121.381 121.223 -0.001 0.000 2.093 71 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 71 L C 2.442 179.308 176.870 -0.006 0.000 1.085 71 L CA 1.162 56.000 54.840 -0.003 0.000 0.755 71 L CB -0.505 41.552 42.059 -0.003 0.000 0.904 71 L HN 0.253 nan 8.230 nan 0.000 0.435 72 E N -0.089 120.109 120.200 -0.003 0.000 2.110 72 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 72 E C 2.353 178.955 176.600 0.004 0.000 0.988 72 E CA 1.015 57.414 56.400 -0.001 0.000 0.804 72 E CB 0.008 29.710 29.700 0.003 0.000 0.745 72 E HN 0.400 nan 8.360 nan 0.000 0.458 73 R N -0.021 120.482 120.500 0.005 0.000 2.092 73 R HA -0.083 4.257 4.340 -0.000 0.000 0.231 73 R C 2.504 178.807 176.300 0.005 0.000 1.119 73 R CA 1.210 57.315 56.100 0.009 0.000 0.970 73 R CB -0.444 29.859 30.300 0.005 0.000 0.864 73 R HN 0.261 nan 8.270 nan 0.000 0.440 74 C N 0.328 119.625 119.300 -0.004 0.000 2.413 74 C HA -0.083 4.377 4.460 -0.000 0.000 0.276 74 C C 2.593 177.568 174.990 -0.026 0.000 1.248 74 C CA 0.692 59.702 59.018 -0.013 0.000 1.742 74 C CB -0.857 26.875 27.740 -0.013 0.000 2.017 74 C HN 0.466 nan 8.230 nan 0.000 0.481 75 R N 0.934 121.416 120.500 -0.030 0.000 2.081 75 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 75 R C 2.394 178.651 176.300 -0.071 0.000 1.131 75 R CA 1.686 57.753 56.100 -0.054 0.000 0.960 75 R CB -0.495 29.775 30.300 -0.050 0.000 0.856 75 R HN 0.577 nan 8.270 nan 0.000 0.436 76 A N 0.601 123.411 122.820 -0.017 0.000 1.898 76 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 76 A C 2.360 179.986 177.584 0.070 0.000 1.181 76 A CA 1.157 53.223 52.037 0.048 0.000 0.620 76 A CB -0.506 18.586 19.000 0.153 0.000 0.819 76 A HN 0.107 nan 8.150 nan 0.000 0.442 77 V N 0.270 120.208 119.914 0.041 0.000 2.332 77 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 77 V C 2.423 178.513 176.094 -0.007 0.000 1.055 77 V CA 2.244 64.563 62.300 0.032 0.000 1.038 77 V CB -0.660 31.167 31.823 0.008 0.000 0.651 77 V HN 0.577 nan 8.190 nan 0.000 0.450 78 I N -0.580 119.960 120.570 -0.050 0.000 2.233 78 I HA -0.208 3.962 4.170 -0.000 0.000 0.243 78 I C 2.715 178.755 176.117 -0.129 0.000 1.093 78 I CA 1.621 62.874 61.300 -0.079 0.000 1.380 78 I CB -0.452 37.497 38.000 -0.085 0.000 1.067 78 I HN 0.204 nan 8.210 nan 0.000 0.413 79 R N 0.676 121.041 120.500 -0.225 0.000 2.096 79 R HA -0.224 4.116 4.340 -0.000 0.000 0.240 79 R C 1.892 177.940 176.300 -0.419 0.000 1.139 79 R CA 2.037 57.894 56.100 -0.406 0.000 0.952 79 R CB -0.246 29.641 30.300 -0.687 0.000 0.854 79 R HN 0.304 nan 8.270 nan 0.000 0.436 80 Y N 0.060 120.332 120.300 -0.046 0.000 2.466 80 Y HA 0.297 4.847 4.550 -0.000 0.000 0.272 80 Y C 0.632 176.499 175.900 -0.053 0.000 1.169 80 Y CA -0.209 57.858 58.100 -0.056 0.000 1.285 80 Y CB 0.439 38.853 38.460 -0.076 0.000 1.078 80 Y HN -0.082 nan 8.280 nan 0.000 0.523 81 S N 0.057 115.780 115.700 0.038 0.000 2.601 81 S HA 0.296 4.766 4.470 -0.000 0.000 0.271 81 S C 0.120 174.712 174.600 -0.014 0.000 1.305 81 S CA -0.687 57.518 58.200 0.008 0.000 1.022 81 S CB 1.238 64.427 63.200 -0.019 0.000 0.940 81 S HN -0.098 nan 8.310 nan 0.000 0.525 82 V N 3.720 123.622 119.914 -0.020 0.000 2.715 82 V HA 0.099 4.219 4.120 -0.000 0.000 0.299 82 V C 0.355 176.353 176.094 -0.161 0.000 1.054 82 V CA -0.071 62.194 62.300 -0.058 0.000 1.077 82 V CB 0.427 32.232 31.823 -0.031 0.000 0.972 82 V HN 0.614 nan 8.190 nan 0.000 0.484 83 K N 3.706 124.001 120.400 -0.174 0.000 2.184 83 K HA 0.170 4.489 4.320 -0.000 0.000 0.259 83 K C 1.257 177.631 176.600 -0.375 0.000 1.119 83 K CA 0.092 56.272 56.287 -0.178 0.000 0.991 83 K CB 0.384 32.860 32.500 -0.040 0.000 1.522 83 K HN 0.935 nan 8.250 nan 0.000 0.405 84 T N -2.164 112.064 114.554 -0.543 0.000 3.072 84 T HA -0.042 4.308 4.350 -0.000 0.000 0.266 84 T C 1.631 176.169 174.700 -0.270 0.000 1.127 84 T CA 0.857 62.431 62.100 -0.877 0.000 1.107 84 T CB 0.137 68.695 68.868 -0.516 0.000 0.910 84 T HN 0.429 nan 8.240 nan 0.000 0.513 85 G N -0.033 108.694 108.800 -0.121 0.000 2.880 85 G HA2 0.017 3.977 3.960 -0.000 0.000 0.209 85 G HA3 0.017 3.977 3.960 -0.000 0.000 0.209 85 G C 0.486 175.380 174.900 -0.011 0.000 1.157 85 G CA -0.364 44.719 45.100 -0.028 0.000 0.779 85 G HN 0.614 nan 8.290 nan 0.000 0.539 86 H N 1.192 120.198 119.070 -0.108 0.000 2.764 86 H HA 0.128 4.684 4.556 -0.000 0.000 0.341 86 H C -1.564 173.688 175.328 -0.128 0.000 1.072 86 H CA -1.442 54.545 56.048 -0.100 0.000 1.444 86 H CB 2.097 31.805 29.762 -0.090 0.000 1.458 86 H HN -0.064 nan 8.280 nan 0.000 0.572 87 P HA -0.063 nan 4.420 nan 0.000 0.225 87 P C 0.530 177.684 177.300 -0.243 0.000 1.148 87 P CA 1.153 64.162 63.100 -0.152 0.000 0.779 87 P CB 0.289 31.878 31.700 -0.184 0.000 0.780 88 R N -2.008 118.511 120.500 0.032 0.000 2.507 88 R HA 0.240 4.580 4.340 -0.000 0.000 0.298 88 R C -0.163 175.868 176.300 -0.448 0.000 0.999 88 R CA -0.359 55.575 56.100 -0.278 0.000 1.082 88 R CB -0.871 29.472 30.300 0.072 0.000 1.246 88 R HN 0.104 nan 8.270 nan 0.000 0.553 89 F N 0.474 120.081 119.950 -0.570 0.000 2.375 89 F HA 0.256 4.783 4.527 -0.000 0.000 0.362 89 F C -0.343 175.102 175.800 -0.591 0.000 1.129 89 F CA -0.914 56.832 58.000 -0.422 0.000 1.154 89 F CB 0.315 39.173 39.000 -0.236 0.000 1.205 89 F HN -0.016 nan 8.300 nan 0.000 0.513 90 F N 3.853 123.501 119.950 -0.502 0.000 2.735 90 F HA 0.245 4.772 4.527 -0.000 0.000 0.308 90 F C 1.379 176.820 175.800 -0.598 0.000 1.112 90 F CA -0.290 57.455 58.000 -0.424 0.000 1.235 90 F CB -0.432 38.451 39.000 -0.195 0.000 1.027 90 F HN 0.396 nan 8.300 nan 0.000 0.528 91 N N -0.520 117.597 118.700 -0.973 0.000 2.446 91 N HA -0.002 4.738 4.740 -0.000 0.000 0.179 91 N C 0.689 175.868 175.510 -0.551 0.000 1.054 91 N CA 0.771 53.399 53.050 -0.703 0.000 0.905 91 N CB 0.338 38.365 38.487 -0.767 0.000 0.973 91 N HN 0.073 nan 8.380 nan 0.000 0.448 92 Q N -0.810 118.596 119.800 -0.656 0.000 2.892 92 Q HA 0.292 4.632 4.340 -0.000 0.000 0.307 92 Q C 0.057 175.766 176.000 -0.485 0.000 1.039 92 Q CA -0.597 54.888 55.803 -0.530 0.000 0.792 92 Q CB 0.638 28.899 28.738 -0.795 0.000 1.504 92 Q HN 0.045 nan 8.270 nan 0.000 0.487 93 L N 0.933 121.899 121.223 -0.427 0.000 2.629 93 L HA 0.239 4.579 4.340 -0.000 0.000 0.230 93 L C -0.097 176.714 176.870 -0.099 0.000 1.151 93 L CA 0.159 54.659 54.840 -0.566 0.000 0.924 93 L CB -0.305 41.208 42.059 -0.909 0.000 1.137 93 L HN 0.362 nan 8.230 nan 0.000 0.457 94 F N -2.761 117.198 119.950 0.016 0.000 2.576 94 F HA 0.801 5.328 4.527 -0.000 0.000 0.313 94 F C -0.426 175.496 175.800 0.203 0.000 1.078 94 F CA -1.102 56.988 58.000 0.150 0.000 0.921 94 F CB 1.644 40.764 39.000 0.201 0.000 1.232 94 F HN -0.285 nan 8.300 nan 0.000 0.459 95 S N 1.647 117.517 115.700 0.284 0.000 2.556 95 S HA 0.737 5.207 4.470 -0.000 0.000 0.280 95 S C -0.665 174.049 174.600 0.191 0.000 1.141 95 S CA 0.200 58.538 58.200 0.230 0.000 0.883 95 S CB 1.056 64.336 63.200 0.133 0.000 1.103 95 S HN 2.464 nan 8.310 nan 0.000 0.453 96 G N 1.578 110.460 108.800 0.137 0.000 2.570 96 G HA2 0.128 4.088 3.960 -0.000 0.000 0.686 96 G HA3 0.128 4.088 3.960 -0.000 0.000 0.686 96 G C -1.575 173.371 174.900 0.077 0.000 1.257 96 G CA -0.418 44.731 45.100 0.082 0.000 0.846 96 G HN 1.448 nan 8.290 nan 0.000 0.627 97 L N 1.336 122.582 121.223 0.038 0.000 2.442 97 L HA 0.451 4.791 4.340 -0.000 0.000 0.261 97 L C -0.299 176.586 176.870 0.025 0.000 1.000 97 L CA -0.803 54.052 54.840 0.025 0.000 0.882 97 L CB 0.967 43.021 42.059 -0.008 0.000 1.207 97 L HN 0.749 nan 8.230 nan 0.000 0.443 98 D N 6.221 126.650 120.400 0.049 0.000 2.343 98 D HA 0.155 4.795 4.640 -0.000 0.000 0.255 98 D C -1.772 174.548 176.300 0.033 0.000 1.187 98 D CA -1.406 52.628 54.000 0.057 0.000 0.875 98 D CB 2.013 42.868 40.800 0.091 0.000 1.136 98 D HN 0.351 nan 8.370 nan 0.000 0.469 99 P HA -0.096 nan 4.420 nan 0.000 0.222 99 P C 0.715 177.931 177.300 -0.140 0.000 1.153 99 P CA 1.066 64.106 63.100 -0.101 0.000 0.798 99 P CB 0.328 31.917 31.700 -0.184 0.000 0.796 100 H N 0.321 119.416 119.070 0.040 0.000 2.363 100 H HA 0.108 4.664 4.556 -0.000 0.000 0.301 100 H C 2.259 177.625 175.328 0.063 0.000 1.074 100 H CA 1.537 57.614 56.048 0.049 0.000 1.354 100 H CB -0.695 29.089 29.762 0.037 0.000 1.397 100 H HN 0.073 nan 8.280 nan 0.000 0.516 101 A N 0.930 123.853 122.820 0.172 0.000 1.908 101 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 101 A C 2.229 179.863 177.584 0.084 0.000 1.181 101 A CA 1.583 53.695 52.037 0.125 0.000 0.627 101 A CB -0.734 18.330 19.000 0.107 0.000 0.818 101 A HN 0.348 nan 8.150 nan 0.000 0.445 102 L N -0.223 121.035 121.223 0.058 0.000 2.046 102 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 102 L C 2.672 179.573 176.870 0.051 0.000 1.077 102 L CA 2.192 57.056 54.840 0.039 0.000 0.747 102 L CB -0.903 41.170 42.059 0.023 0.000 0.896 102 L HN 0.350 nan 8.230 nan 0.000 0.432 103 A N -0.366 122.488 122.820 0.056 0.000 1.892 103 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 103 A C 2.367 180.002 177.584 0.084 0.000 1.188 103 A CA 1.855 53.933 52.037 0.068 0.000 0.631 103 A CB -1.698 17.342 19.000 0.068 0.000 0.822 103 A HN 0.546 nan 8.150 nan 0.000 0.447 104 G N -0.716 108.150 108.800 0.110 0.000 2.440 104 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 104 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 104 G C 1.753 176.683 174.900 0.049 0.000 1.154 104 G CA 0.977 46.145 45.100 0.113 0.000 0.767 104 G HN 0.594 nan 8.290 nan 0.000 0.552 105 R N -0.102 120.415 120.500 0.029 0.000 2.083 105 R HA 0.008 4.347 4.340 -0.000 0.000 0.237 105 R C 2.590 178.885 176.300 -0.009 0.000 1.137 105 R CA 1.316 57.410 56.100 -0.009 0.000 0.951 105 R CB -0.431 29.864 30.300 -0.009 0.000 0.851 105 R HN 0.385 nan 8.270 nan 0.000 0.434 106 I N 0.544 121.125 120.570 0.017 0.000 2.226 106 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 106 I C 2.250 178.372 176.117 0.009 0.000 1.100 106 I CA 1.340 62.651 61.300 0.018 0.000 1.374 106 I CB -0.248 37.777 38.000 0.041 0.000 1.057 106 I HN 0.135 nan 8.210 nan 0.000 0.413 107 I N 0.305 120.890 120.570 0.025 0.000 2.179 107 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 107 I C 2.555 178.687 176.117 0.024 0.000 1.088 107 I CA 1.591 62.915 61.300 0.041 0.000 1.357 107 I CB -0.658 37.393 38.000 0.086 0.000 1.051 107 I HN 0.234 nan 8.210 nan 0.000 0.409 108 T N 0.244 114.780 114.554 -0.029 0.000 2.684 108 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 108 T C 1.806 176.449 174.700 -0.094 0.000 1.036 108 T CA 1.350 63.370 62.100 -0.135 0.000 1.148 108 T CB -0.215 68.526 68.868 -0.212 0.000 0.863 108 T HN 0.302 nan 8.240 nan 0.000 0.436 109 E N 1.176 121.340 120.200 -0.060 0.000 2.150 109 E HA -0.012 4.338 4.350 -0.000 0.000 0.193 109 E C 2.510 179.095 176.600 -0.026 0.000 0.985 109 E CA 0.710 57.083 56.400 -0.046 0.000 0.814 109 E CB -0.372 29.308 29.700 -0.034 0.000 0.752 109 E HN 0.413 nan 8.360 nan 0.000 0.466 110 S N 0.598 116.290 115.700 -0.013 0.000 2.453 110 S HA 0.035 4.505 4.470 -0.000 0.000 0.231 110 S C 1.929 176.533 174.600 0.007 0.000 1.005 110 S CA 0.450 58.648 58.200 -0.004 0.000 0.949 110 S CB 0.069 63.267 63.200 -0.003 0.000 0.774 110 S HN 0.183 nan 8.310 nan 0.000 0.510 111 L N 1.081 122.317 121.223 0.021 0.000 2.554 111 L HA 0.230 4.570 4.340 -0.000 0.000 0.225 111 L C 0.336 177.226 176.870 0.034 0.000 1.104 111 L CA -0.234 54.638 54.840 0.054 0.000 0.866 111 L CB -0.585 41.566 42.059 0.152 0.000 1.047 111 L HN 0.193 nan 8.230 nan 0.000 0.468 112 N N 1.440 120.134 118.700 -0.009 0.000 2.780 112 N HA -0.210 4.530 4.740 -0.000 0.000 0.296 112 N C -0.191 175.314 175.510 -0.009 0.000 1.074 112 N CA 0.804 53.839 53.050 -0.025 0.000 0.806 112 N CB -0.253 38.222 38.487 -0.020 0.000 0.966 112 N HN 0.264 nan 8.380 nan 0.000 0.585 113 T N -0.084 114.463 114.554 -0.012 0.000 2.858 113 T HA 0.658 5.008 4.350 -0.000 0.000 0.285 113 T C -0.851 173.846 174.700 -0.005 0.000 1.052 113 T CA -0.395 61.714 62.100 0.015 0.000 1.009 113 T CB 1.389 70.305 68.868 0.079 0.000 1.241 113 T HN 0.266 nan 8.240 nan 0.000 0.542 114 S N 1.030 116.745 115.700 0.025 0.000 2.451 114 S HA 0.397 4.867 4.470 -0.000 0.000 0.301 114 S C -0.519 174.141 174.600 0.101 0.000 1.116 114 S CA -0.509 57.714 58.200 0.037 0.000 1.093 114 S CB 1.298 64.506 63.200 0.013 0.000 1.017 114 S HN 0.650 nan 8.310 nan 0.000 0.482 115 Q N 3.851 123.708 119.800 0.094 0.000 2.664 115 Q HA 0.283 4.623 4.340 -0.000 0.000 0.223 115 Q C -0.765 175.355 176.000 0.200 0.000 1.298 115 Q CA 0.368 56.242 55.803 0.118 0.000 0.965 115 Q CB -0.198 28.578 28.738 0.063 0.000 1.510 115 Q HN 0.834 nan 8.270 nan 0.000 0.567 116 Y N 0.620 120.948 120.300 0.047 0.000 2.844 116 Y HA 0.262 4.811 4.550 -0.000 0.000 0.256 116 Y C -0.186 175.756 175.900 0.070 0.000 1.134 116 Y CA 0.868 59.000 58.100 0.053 0.000 1.209 116 Y CB 0.810 39.296 38.460 0.044 0.000 1.418 116 Y HN 0.391 nan 8.280 nan 0.000 0.459 117 T N -2.783 111.854 114.554 0.139 0.000 2.903 117 T HA 0.172 4.522 4.350 -0.000 0.000 0.299 117 T C 0.092 174.825 174.700 0.055 0.000 1.093 117 T CA -0.520 61.634 62.100 0.090 0.000 1.002 117 T CB 1.321 70.291 68.868 0.170 0.000 1.127 117 T HN 0.203 nan 8.240 nan 0.000 0.488 118 Y N 1.377 121.591 120.300 -0.144 0.000 2.256 118 Y HA -0.125 4.425 4.550 -0.000 0.000 0.288 118 Y C 2.403 178.074 175.900 -0.382 0.000 1.155 118 Y CA 2.272 60.158 58.100 -0.356 0.000 1.203 118 Y CB 0.005 38.057 38.460 -0.679 0.000 0.980 118 Y HN 0.945 nan 8.280 nan 0.000 0.530 119 E N 0.463 120.499 120.200 -0.274 0.000 2.118 119 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 119 E C 1.774 178.303 176.600 -0.118 0.000 0.992 119 E CA 1.985 58.291 56.400 -0.158 0.000 0.804 119 E CB -0.431 29.328 29.700 0.098 0.000 0.741 119 E HN 0.752 nan 8.360 nan 0.000 0.458 120 I N -3.735 116.797 120.570 -0.063 0.000 4.057 120 I HA 0.425 4.595 4.170 -0.000 0.000 0.334 120 I C 0.767 176.853 176.117 -0.052 0.000 1.308 120 I CA 0.062 61.343 61.300 -0.032 0.000 1.125 120 I CB 1.098 39.122 38.000 0.040 0.000 1.034 120 I HN 0.046 nan 8.210 nan 0.000 0.401 121 A N 2.168 124.920 122.820 -0.114 0.000 3.234 121 A HA 0.507 4.827 4.320 -0.000 0.000 0.247 121 A C -1.928 175.484 177.584 -0.287 0.000 0.938 121 A CA -0.747 51.246 52.037 -0.073 0.000 1.039 121 A CB -0.241 18.828 19.000 0.115 0.000 1.197 121 A HN 0.109 nan 8.150 nan 0.000 0.498 122 P HA -0.135 nan 4.420 nan 0.000 0.215 122 P C 1.636 178.629 177.300 -0.512 0.000 1.157 122 P CA 1.365 63.888 63.100 -0.963 0.000 0.863 122 P CB 0.109 31.115 31.700 -1.157 0.000 0.787 123 V N -0.728 118.845 119.914 -0.569 0.000 2.295 123 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 123 V C 2.514 178.301 176.094 -0.513 0.000 1.049 123 V CA 1.902 63.838 62.300 -0.606 0.000 1.024 123 V CB -1.562 29.724 31.823 -0.895 0.000 0.648 123 V HN -0.097 nan 8.190 nan 0.000 0.447 124 F N -0.469 119.367 119.950 -0.191 0.000 2.259 124 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 124 F C 2.271 178.003 175.800 -0.113 0.000 1.088 124 F CA 0.472 58.370 58.000 -0.170 0.000 1.358 124 F CB -1.281 37.636 39.000 -0.138 0.000 1.040 124 F HN -0.073 nan 8.300 nan 0.000 0.505 125 V N 0.440 120.389 119.914 0.058 0.000 2.295 125 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 125 V C 2.429 178.554 176.094 0.051 0.000 1.049 125 V CA 1.705 64.052 62.300 0.078 0.000 1.024 125 V CB -0.685 31.215 31.823 0.128 0.000 0.648 125 V HN 0.300 nan 8.190 nan 0.000 0.447 126 L N -1.212 120.021 121.223 0.017 0.000 2.056 126 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 126 L C 2.470 179.295 176.870 -0.074 0.000 1.078 126 L CA 1.856 56.686 54.840 -0.017 0.000 0.749 126 L CB -0.484 41.561 42.059 -0.023 0.000 0.901 126 L HN 0.351 nan 8.230 nan 0.000 0.433 127 M N -0.067 119.441 119.600 -0.153 0.000 2.132 127 M HA -0.235 4.245 4.480 -0.000 0.000 0.263 127 M C 2.236 178.482 176.300 -0.090 0.000 1.065 127 M CA 1.750 56.893 55.300 -0.263 0.000 1.122 127 M CB -0.025 32.324 32.600 -0.418 0.000 1.365 127 M HN 0.204 nan 8.290 nan 0.000 0.411 128 E N 0.121 120.323 120.200 0.003 0.000 2.110 128 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 128 E C 1.677 178.348 176.600 0.119 0.000 0.988 128 E CA 1.523 57.985 56.400 0.103 0.000 0.804 128 E CB -0.030 29.753 29.700 0.138 0.000 0.745 128 E HN 0.609 nan 8.360 nan 0.000 0.458 129 E N 0.165 120.404 120.200 0.065 0.000 2.058 129 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 129 E C 2.041 178.666 176.600 0.042 0.000 0.997 129 E CA 1.448 57.879 56.400 0.051 0.000 0.801 129 E CB -0.065 29.652 29.700 0.027 0.000 0.746 129 E HN 0.197 nan 8.360 nan 0.000 0.450 130 E N 0.809 121.025 120.200 0.025 0.000 2.072 130 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 130 E C 2.008 178.620 176.600 0.020 0.000 0.985 130 E CA 1.039 57.453 56.400 0.024 0.000 0.801 130 E CB -0.240 29.486 29.700 0.044 0.000 0.750 130 E HN 0.036 nan 8.360 nan 0.000 0.452 131 V N 0.923 120.876 119.914 0.065 0.000 2.287 131 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 131 V C 2.556 178.672 176.094 0.037 0.000 1.053 131 V CA 1.890 64.232 62.300 0.069 0.000 1.027 131 V CB -0.539 31.416 31.823 0.221 0.000 0.646 131 V HN 0.309 nan 8.190 nan 0.000 0.447 132 L N -0.495 120.778 121.223 0.082 0.000 2.093 132 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 132 L C 2.740 179.629 176.870 0.031 0.000 1.085 132 L CA 1.599 56.454 54.840 0.025 0.000 0.755 132 L CB -0.631 41.449 42.059 0.036 0.000 0.904 132 L HN 0.273 nan 8.230 nan 0.000 0.435 133 R N 0.863 121.382 120.500 0.032 0.000 2.073 133 R HA -0.244 4.096 4.340 -0.000 0.000 0.234 133 R C 2.330 178.641 176.300 0.019 0.000 1.134 133 R CA 1.915 58.038 56.100 0.038 0.000 0.952 133 R CB -0.048 30.267 30.300 0.025 0.000 0.850 133 R HN 0.074 nan 8.270 nan 0.000 0.433 134 K N 0.781 121.151 120.400 -0.050 0.000 2.026 134 K HA -0.086 4.234 4.320 -0.000 0.000 0.208 134 K C 2.130 178.719 176.600 -0.018 0.000 1.048 134 K CA 1.485 57.707 56.287 -0.108 0.000 0.929 134 K CB -0.398 31.885 32.500 -0.362 0.000 0.713 134 K HN 0.226 nan 8.250 nan 0.000 0.439 135 L N 0.241 121.437 121.223 -0.045 0.000 2.012 135 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 135 L C 2.623 179.589 176.870 0.160 0.000 1.073 135 L CA 1.509 56.349 54.840 -0.001 0.000 0.748 135 L CB -0.444 41.462 42.059 -0.255 0.000 0.891 135 L HN 0.187 nan 8.230 nan 0.000 0.431 136 R N -0.027 120.547 120.500 0.123 0.000 2.091 136 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 136 R C 2.449 178.805 176.300 0.094 0.000 1.136 136 R CA 1.417 57.617 56.100 0.168 0.000 0.959 136 R CB -0.557 29.924 30.300 0.302 0.000 0.856 136 R HN 0.386 nan 8.270 nan 0.000 0.437 137 A N 1.228 124.110 122.820 0.103 0.000 1.908 137 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 137 A C 2.182 179.800 177.584 0.056 0.000 1.181 137 A CA 1.314 53.399 52.037 0.081 0.000 0.627 137 A CB -0.548 18.494 19.000 0.069 0.000 0.818 137 A HN 0.203 nan 8.150 nan 0.000 0.445 138 L N -0.693 120.600 121.223 0.116 0.000 2.141 138 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 138 L C 2.426 179.292 176.870 -0.006 0.000 1.094 138 L CA 0.668 55.590 54.840 0.137 0.000 0.763 138 L CB -0.385 41.891 42.059 0.361 0.000 0.908 138 L HN 0.237 nan 8.230 nan 0.000 0.437 139 V N -0.121 119.734 119.914 -0.098 0.000 2.490 139 V HA -0.117 4.003 4.120 -0.000 0.000 0.250 139 V C 1.607 177.405 176.094 -0.493 0.000 1.061 139 V CA 1.748 63.801 62.300 -0.411 0.000 1.064 139 V CB -0.544 30.807 31.823 -0.787 0.000 0.670 139 V HN 0.741 nan 8.190 nan 0.000 0.461 140 G N -2.573 106.015 108.800 -0.353 0.000 2.151 140 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.140 140 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.140 140 G C -0.458 174.451 174.900 0.016 0.000 1.020 140 G CA -0.546 44.447 45.100 -0.177 0.000 0.688 140 G HN 0.265 nan 8.290 nan 0.000 0.500 141 W N 1.197 122.522 121.300 0.041 0.000 2.529 141 W HA 0.658 5.318 4.660 -0.000 0.000 0.321 141 W C 1.088 177.624 176.519 0.029 0.000 1.047 141 W CA -0.644 56.718 57.345 0.028 0.000 1.216 141 W CB 1.307 30.784 29.460 0.028 0.000 1.357 141 W HN 0.375 nan 8.180 nan 0.000 0.489 142 S N 0.189 116.032 115.700 0.238 0.000 2.575 142 S HA 0.164 4.634 4.470 -0.000 0.000 0.215 142 S C 0.490 175.156 174.600 0.111 0.000 0.966 142 S CA 0.164 58.447 58.200 0.139 0.000 0.911 142 S CB -0.040 63.215 63.200 0.092 0.000 0.780 142 S HN 0.337 nan 8.310 nan 0.000 0.514 143 S N -1.135 114.637 115.700 0.119 0.000 2.638 143 S HA 0.919 5.389 4.470 -0.000 0.000 0.274 143 S C -0.148 174.480 174.600 0.047 0.000 1.157 143 S CA -0.335 57.901 58.200 0.061 0.000 0.826 143 S CB 1.360 64.568 63.200 0.014 0.000 1.139 143 S HN 1.336 nan 8.310 nan 0.000 0.474 144 G N 0.366 109.171 108.800 0.010 0.000 2.339 144 G HA2 0.393 4.353 3.960 -0.000 0.000 0.275 144 G HA3 0.393 4.353 3.960 -0.000 0.000 0.275 144 G C -2.154 172.753 174.900 0.012 0.000 1.323 144 G CA 0.015 45.096 45.100 -0.032 0.000 0.927 144 G HN 0.912 nan 8.290 nan 0.000 0.486 145 D N -1.578 118.838 120.400 0.026 0.000 2.744 145 D HA 0.793 5.432 4.640 -0.000 0.000 0.304 145 D C 0.268 176.610 176.300 0.070 0.000 1.179 145 D CA 0.966 54.989 54.000 0.038 0.000 1.024 145 D CB 1.690 42.502 40.800 0.018 0.000 1.453 145 D HN 1.822 nan 8.370 nan 0.000 0.529 146 G N -0.664 108.164 108.800 0.046 0.000 2.337 146 G HA2 0.467 4.427 3.960 -0.000 0.000 0.298 146 G HA3 0.467 4.427 3.960 -0.000 0.000 0.298 146 G C -2.030 172.863 174.900 -0.012 0.000 1.335 146 G CA -0.207 44.912 45.100 0.030 0.000 0.875 146 G HN 0.599 nan 8.290 nan 0.000 0.579 147 I N -1.634 118.895 120.570 -0.069 0.000 2.897 147 I HA 0.717 4.887 4.170 -0.000 0.000 0.299 147 I C -1.724 174.322 176.117 -0.120 0.000 1.527 147 I CA -1.153 60.120 61.300 -0.046 0.000 0.979 147 I CB 1.722 39.690 38.000 -0.054 0.000 1.360 147 I HN 0.527 nan 8.210 nan 0.000 0.495 148 F N 4.236 124.210 119.950 0.040 0.000 2.384 148 F HA 0.586 5.113 4.527 -0.000 0.000 0.338 148 F C 0.218 176.069 175.800 0.084 0.000 1.103 148 F CA 0.183 58.223 58.000 0.067 0.000 1.157 148 F CB 1.059 40.092 39.000 0.055 0.000 1.167 148 F HN 0.350 nan 8.300 nan 0.000 0.529 149 C N 3.323 122.804 119.300 0.302 0.000 2.779 149 C HA 0.458 4.918 4.460 -0.000 0.000 0.314 149 C C -2.196 172.943 174.990 0.249 0.000 1.231 149 C CA -1.418 57.773 59.018 0.289 0.000 1.652 149 C CB 2.281 30.221 27.740 0.333 0.000 2.198 149 C HN 0.523 nan 8.230 nan 0.000 0.483 150 P HA 0.317 nan 4.420 nan 0.000 0.225 150 P C 0.084 177.448 177.300 0.107 0.000 1.813 150 P CA 1.084 64.255 63.100 0.118 0.000 1.013 150 P CB -0.238 31.505 31.700 0.071 0.000 1.961 151 G N 0.863 109.763 108.800 0.166 0.000 2.617 151 G HA2 0.001 3.961 3.960 -0.000 0.000 0.686 151 G HA3 0.001 3.961 3.960 -0.000 0.000 0.686 151 G C 0.758 175.782 174.900 0.206 0.000 1.214 151 G CA -0.540 44.674 45.100 0.190 0.000 0.796 151 G HN 0.312 nan 8.290 nan 0.000 0.654 152 G N -0.088 108.850 108.800 0.230 0.000 2.448 152 G HA2 0.062 4.022 3.960 -0.000 0.000 0.219 152 G HA3 0.062 4.022 3.960 -0.000 0.000 0.219 152 G C 2.044 177.049 174.900 0.174 0.000 1.127 152 G CA 2.132 47.360 45.100 0.213 0.000 0.766 152 G HN 1.280 nan 8.290 nan 0.000 0.552 153 S N 0.534 116.309 115.700 0.125 0.000 2.368 153 S HA -0.083 4.387 4.470 -0.000 0.000 0.225 153 S C 2.233 176.856 174.600 0.039 0.000 1.030 153 S CA 0.813 59.057 58.200 0.074 0.000 0.999 153 S CB -0.111 63.105 63.200 0.027 0.000 0.844 153 S HN 0.237 nan 8.310 nan 0.000 0.459 154 I N 1.780 122.369 120.570 0.030 0.000 2.353 154 I HA -0.046 4.124 4.170 -0.000 0.000 0.248 154 I C 2.338 178.510 176.117 0.091 0.000 1.119 154 I CA 0.916 62.198 61.300 -0.029 0.000 1.417 154 I CB -1.763 36.216 38.000 -0.034 0.000 1.078 154 I HN 0.172 nan 8.210 nan 0.000 0.421 155 S N 1.587 117.419 115.700 0.221 0.000 2.365 155 S HA -0.194 4.276 4.470 -0.000 0.000 0.225 155 S C 1.773 176.508 174.600 0.225 0.000 1.039 155 S CA 1.520 59.904 58.200 0.305 0.000 1.033 155 S CB -0.352 63.018 63.200 0.284 0.000 0.887 155 S HN 0.477 nan 8.310 nan 0.000 0.447 156 N N 1.325 120.121 118.700 0.161 0.000 2.120 156 N HA 0.007 4.747 4.740 -0.000 0.000 0.188 156 N C 1.670 177.159 175.510 -0.035 0.000 1.024 156 N CA 1.136 54.213 53.050 0.045 0.000 0.852 156 N CB -0.427 38.137 38.487 0.129 0.000 1.003 156 N HN 0.414 nan 8.380 nan 0.000 0.424 157 M N -0.574 119.025 119.600 -0.001 0.000 2.117 157 M HA -0.179 4.301 4.480 -0.000 0.000 0.262 157 M C 1.692 177.997 176.300 0.010 0.000 1.065 157 M CA 1.362 56.647 55.300 -0.025 0.000 1.114 157 M CB -0.455 32.091 32.600 -0.091 0.000 1.361 157 M HN 0.100 nan 8.290 nan 0.000 0.408 158 Y N 0.337 120.664 120.300 0.045 0.000 2.165 158 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 158 Y C 2.677 178.599 175.900 0.037 0.000 1.155 158 Y CA 1.479 59.636 58.100 0.094 0.000 1.164 158 Y CB -1.061 37.475 38.460 0.126 0.000 0.978 158 Y HN 0.242 nan 8.280 nan 0.000 0.513 159 A N -0.583 122.295 122.820 0.097 0.000 1.902 159 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 159 A C 2.440 179.871 177.584 -0.255 0.000 1.181 159 A CA 2.050 54.030 52.037 -0.095 0.000 0.623 159 A CB -1.207 17.535 19.000 -0.430 0.000 0.818 159 A HN 0.236 nan 8.150 nan 0.000 0.443 160 V N 0.768 120.590 119.914 -0.154 0.000 2.343 160 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 160 V C 2.439 178.552 176.094 0.032 0.000 1.051 160 V CA 2.308 64.575 62.300 -0.055 0.000 1.036 160 V CB -1.143 30.702 31.823 0.037 0.000 0.654 160 V HN 0.728 nan 8.190 nan 0.000 0.451 161 N N 0.255 118.990 118.700 0.058 0.000 2.104 161 N HA -0.146 4.594 4.740 -0.000 0.000 0.190 161 N C 1.655 177.187 175.510 0.036 0.000 1.024 161 N CA 1.579 54.690 53.050 0.101 0.000 0.853 161 N CB -0.299 38.315 38.487 0.212 0.000 1.008 161 N HN 0.443 nan 8.380 nan 0.000 0.424 162 L N -0.332 120.853 121.223 -0.063 0.000 2.056 162 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 162 L C 2.420 179.061 176.870 -0.382 0.000 1.078 162 L CA 1.275 56.006 54.840 -0.181 0.000 0.749 162 L CB -0.560 41.395 42.059 -0.172 0.000 0.901 162 L HN 0.213 nan 8.230 nan 0.000 0.433 163 A N 0.007 122.376 122.820 -0.751 0.000 1.933 163 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 163 A C 2.417 179.997 177.584 -0.006 0.000 1.175 163 A CA 1.770 53.399 52.037 -0.680 0.000 0.628 163 A CB -0.565 17.979 19.000 -0.760 0.000 0.814 163 A HN 0.371 nan 8.150 nan 0.000 0.444 164 R N -2.008 118.529 120.500 0.062 0.000 2.073 164 R HA -0.195 4.145 4.340 -0.000 0.000 0.234 164 R C 2.082 178.404 176.300 0.036 0.000 1.134 164 R CA 1.974 58.051 56.100 -0.039 0.000 0.952 164 R CB -0.552 29.693 30.300 -0.093 0.000 0.850 164 R HN 0.571 nan 8.270 nan 0.000 0.433 165 Y N 1.378 121.649 120.300 -0.048 0.000 2.181 165 Y HA -0.230 4.319 4.550 -0.000 0.000 0.288 165 Y C 2.516 178.408 175.900 -0.013 0.000 1.146 165 Y CA 2.006 60.091 58.100 -0.025 0.000 1.164 165 Y CB -0.211 38.218 38.460 -0.051 0.000 0.982 165 Y HN 0.186 nan 8.280 nan 0.000 0.515 166 Q N 0.697 120.524 119.800 0.044 0.000 2.135 166 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 166 Q C 2.406 178.347 176.000 -0.099 0.000 0.981 166 Q CA 1.975 57.792 55.803 0.022 0.000 0.856 166 Q CB -0.259 28.619 28.738 0.234 0.000 0.902 166 Q HN 0.551 nan 8.270 nan 0.000 0.425 167 R N -1.431 118.996 120.500 -0.121 0.000 2.100 167 R HA -0.063 4.277 4.340 -0.000 0.000 0.220 167 R C 0.041 175.983 176.300 -0.597 0.000 1.091 167 R CA 0.744 56.643 56.100 -0.334 0.000 0.986 167 R CB 0.396 30.500 30.300 -0.328 0.000 0.888 167 R HN 0.125 nan 8.270 nan 0.000 0.444 168 Y N 0.252 120.464 120.300 -0.146 0.000 2.584 168 Y HA 0.332 4.882 4.550 -0.000 0.000 0.358 168 Y C -1.935 173.823 175.900 -0.237 0.000 1.028 168 Y CA -2.613 55.390 58.100 -0.161 0.000 1.148 168 Y CB 1.753 40.130 38.460 -0.137 0.000 1.126 168 Y HN 0.110 nan 8.280 nan 0.000 0.658 169 P HA -0.148 nan 4.420 nan 0.000 0.219 169 P C 0.603 177.809 177.300 -0.157 0.000 1.146 169 P CA 1.455 64.196 63.100 -0.599 0.000 0.808 169 P CB 0.582 31.852 31.700 -0.717 0.000 0.779 170 D N -0.882 119.488 120.400 -0.049 0.000 2.350 170 D HA -0.090 4.550 4.640 -0.000 0.000 0.216 170 D C 1.901 178.219 176.300 0.030 0.000 0.968 170 D CA 0.422 54.429 54.000 0.011 0.000 0.894 170 D CB -0.977 39.829 40.800 0.010 0.000 0.909 170 D HN 0.165 nan 8.370 nan 0.000 0.520 171 C N 1.043 120.365 119.300 0.037 0.000 2.422 171 C HA -0.111 4.349 4.460 -0.000 0.000 0.279 171 C C 2.511 177.542 174.990 0.068 0.000 1.305 171 C CA 0.729 59.764 59.018 0.028 0.000 1.757 171 C CB -0.774 26.977 27.740 0.018 0.000 1.962 171 C HN 0.276 nan 8.230 nan 0.000 0.499 172 K N -0.243 120.245 120.400 0.147 0.000 2.063 172 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 172 K C 2.022 178.674 176.600 0.087 0.000 1.048 172 K CA 2.062 58.442 56.287 0.155 0.000 0.928 172 K CB -0.084 32.570 32.500 0.257 0.000 0.713 172 K HN 0.516 nan 8.250 nan 0.000 0.442 173 Q N -0.396 119.448 119.800 0.074 0.000 2.134 173 Q HA 0.062 4.402 4.340 -0.000 0.000 0.195 173 Q C 1.837 177.849 176.000 0.021 0.000 0.958 173 Q CA 1.187 57.016 55.803 0.043 0.000 0.840 173 Q CB 0.263 29.026 28.738 0.041 0.000 0.918 173 Q HN 0.209 nan 8.270 nan 0.000 0.467 174 R N -0.470 120.038 120.500 0.013 0.000 2.254 174 R HA 0.319 4.659 4.340 -0.000 0.000 0.195 174 R C 0.304 176.591 176.300 -0.021 0.000 0.957 174 R CA 0.496 56.593 56.100 -0.006 0.000 1.024 174 R CB 0.521 30.813 30.300 -0.012 0.000 0.952 174 R HN 0.250 nan 8.270 nan 0.000 0.484 175 G N 0.718 109.505 108.800 -0.020 0.000 2.814 175 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.677 175 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.677 175 G C 0.336 175.195 174.900 -0.067 0.000 1.429 175 G CA -0.622 44.456 45.100 -0.037 0.000 0.868 175 G HN 0.128 nan 8.290 nan 0.000 0.553 176 L N 0.025 121.201 121.223 -0.079 0.000 2.191 176 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 176 L C 3.141 179.943 176.870 -0.112 0.000 1.103 176 L CA 1.689 56.462 54.840 -0.112 0.000 0.769 176 L CB -0.333 41.666 42.059 -0.100 0.000 0.908 176 L HN 0.644 nan 8.230 nan 0.000 0.438 177 R N -0.416 120.034 120.500 -0.084 0.000 2.159 177 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 177 R C 2.034 178.283 176.300 -0.085 0.000 1.131 177 R CA 1.772 57.828 56.100 -0.074 0.000 0.982 177 R CB -0.488 29.779 30.300 -0.055 0.000 0.868 177 R HN 0.482 nan 8.270 nan 0.000 0.453 178 T N -2.294 112.202 114.554 -0.096 0.000 3.107 178 T HA 0.195 4.545 4.350 -0.000 0.000 0.249 178 T C 0.419 175.024 174.700 -0.158 0.000 1.096 178 T CA -0.118 61.923 62.100 -0.099 0.000 1.012 178 T CB 0.157 68.981 68.868 -0.073 0.000 0.977 178 T HN -0.165 nan 8.240 nan 0.000 0.527 179 L N 2.298 123.387 121.223 -0.222 0.000 2.332 179 L HA 0.634 4.974 4.340 -0.000 0.000 0.269 179 L C -1.962 174.734 176.870 -0.290 0.000 1.016 179 L CA -2.312 52.298 54.840 -0.383 0.000 0.809 179 L CB 0.905 42.649 42.059 -0.525 0.000 1.280 179 L HN -0.023 nan 8.230 nan 0.000 0.447 180 P HA 0.248 nan 4.420 nan 0.000 0.273 180 P C -2.710 174.499 177.300 -0.151 0.000 1.250 180 P CA -1.311 61.687 63.100 -0.170 0.000 0.793 180 P CB -0.597 31.039 31.700 -0.106 0.000 1.011 181 P HA 0.194 nan 4.420 nan 0.000 0.268 181 P C -0.529 176.758 177.300 -0.021 0.000 1.204 181 P CA 0.448 63.519 63.100 -0.049 0.000 0.768 181 P CB 0.299 31.989 31.700 -0.017 0.000 0.842 182 L N 1.779 122.991 121.223 -0.019 0.000 2.334 182 L HA 0.791 5.131 4.340 -0.000 0.000 0.273 182 L C 0.199 177.167 176.870 0.163 0.000 1.013 182 L CA -0.975 53.901 54.840 0.060 0.000 0.816 182 L CB 1.882 43.848 42.059 -0.156 0.000 1.278 182 L HN 0.330 nan 8.230 nan 0.000 0.431 183 A N 3.551 126.542 122.820 0.285 0.000 2.356 183 A HA 0.853 5.173 4.320 -0.000 0.000 0.310 183 A C -0.871 176.664 177.584 -0.082 0.000 1.075 183 A CA -0.503 51.551 52.037 0.028 0.000 0.746 183 A CB 1.464 20.440 19.000 -0.041 0.000 1.221 183 A HN 0.691 nan 8.150 nan 0.000 0.443 184 L N -1.161 119.806 121.223 -0.425 0.000 2.309 184 L HA 1.027 5.367 4.340 -0.000 0.000 0.261 184 L C -1.390 175.004 176.870 -0.793 0.000 1.021 184 L CA -0.948 53.589 54.840 -0.505 0.000 0.823 184 L CB 1.880 43.711 42.059 -0.380 0.000 1.366 184 L HN 0.504 nan 8.230 nan 0.000 0.423 185 F N -0.744 119.172 119.950 -0.057 0.000 2.556 185 F HA 0.783 5.310 4.527 -0.000 0.000 0.314 185 F C 0.228 176.033 175.800 0.008 0.000 1.106 185 F CA -0.505 57.485 58.000 -0.017 0.000 0.911 185 F CB 2.470 41.459 39.000 -0.018 0.000 1.190 185 F HN 0.684 nan 8.300 nan 0.000 0.448 186 T N 0.540 115.185 114.554 0.151 0.000 2.843 186 T HA 0.422 4.772 4.350 -0.000 0.000 0.302 186 T C -0.995 173.774 174.700 0.115 0.000 1.232 186 T CA -0.542 61.633 62.100 0.126 0.000 1.009 186 T CB 1.756 70.685 68.868 0.101 0.000 1.254 186 T HN 0.644 nan 8.240 nan 0.000 0.504 187 S N 1.127 116.891 115.700 0.107 0.000 2.585 187 S HA 0.239 4.709 4.470 -0.000 0.000 0.273 187 S C 1.288 175.961 174.600 0.122 0.000 1.339 187 S CA -0.162 58.099 58.200 0.101 0.000 1.028 187 S CB 0.838 64.092 63.200 0.090 0.000 0.906 187 S HN 0.738 nan 8.310 nan 0.000 0.528 188 K N 1.949 122.419 120.400 0.116 0.000 2.218 188 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 188 K C 1.208 177.918 176.600 0.184 0.000 1.046 188 K CA 1.729 58.112 56.287 0.159 0.000 0.933 188 K CB -0.104 32.447 32.500 0.085 0.000 0.728 188 K HN 0.596 nan 8.250 nan 0.000 0.454 189 E N -1.031 119.241 120.200 0.120 0.000 2.489 189 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 189 E C -0.379 176.239 176.600 0.030 0.000 1.057 189 E CA 0.189 56.650 56.400 0.102 0.000 0.866 189 E CB -0.139 29.646 29.700 0.143 0.000 0.916 189 E HN 0.204 nan 8.360 nan 0.000 0.500 190 C N 1.814 121.112 119.300 -0.002 0.000 3.309 190 C HA 0.211 4.671 4.460 -0.000 0.000 0.335 190 C C 0.584 175.558 174.990 -0.026 0.000 1.018 190 C CA -0.530 58.468 59.018 -0.034 0.000 1.326 190 C CB -0.812 26.951 27.740 0.038 0.000 1.752 190 C HN 0.521 nan 8.230 nan 0.000 0.567 191 H N 0.490 119.486 119.070 -0.123 0.000 3.398 191 H HA 0.150 4.706 4.556 -0.000 0.000 0.260 191 H C 0.383 175.615 175.328 -0.159 0.000 1.189 191 H CA 0.118 56.066 56.048 -0.166 0.000 1.145 191 H CB -0.185 29.433 29.762 -0.240 0.000 1.599 191 H HN 0.544 nan 8.280 nan 0.000 0.615 192 Y N 3.084 123.345 120.300 -0.066 0.000 2.114 192 Y HA -0.168 4.382 4.550 -0.000 0.000 0.284 192 Y C 3.184 179.103 175.900 0.032 0.000 1.119 192 Y CA 2.038 60.139 58.100 0.002 0.000 1.108 192 Y CB -0.347 38.064 38.460 -0.081 0.000 0.995 192 Y HN 0.328 nan 8.280 nan 0.000 0.491 193 S N -0.044 115.758 115.700 0.171 0.000 2.419 193 S HA -0.135 4.335 4.470 -0.000 0.000 0.233 193 S C 1.882 176.540 174.600 0.096 0.000 1.016 193 S CA 1.211 59.475 58.200 0.107 0.000 0.974 193 S CB -0.715 62.537 63.200 0.086 0.000 0.786 193 S HN 0.267 nan 8.310 nan 0.000 0.492 194 I N 2.189 122.822 120.570 0.106 0.000 2.202 194 I HA -0.135 4.035 4.170 -0.000 0.000 0.242 194 I C 2.835 179.001 176.117 0.080 0.000 1.091 194 I CA 1.369 62.722 61.300 0.089 0.000 1.368 194 I CB -1.625 36.429 38.000 0.090 0.000 1.058 194 I HN 0.438 nan 8.210 nan 0.000 0.410 195 Q N 0.573 120.431 119.800 0.097 0.000 2.046 195 Q HA -0.167 4.173 4.340 -0.000 0.000 0.200 195 Q C 2.269 178.326 176.000 0.096 0.000 0.975 195 Q CA 1.290 57.147 55.803 0.089 0.000 0.836 195 Q CB -0.044 28.757 28.738 0.105 0.000 0.896 195 Q HN 0.444 nan 8.270 nan 0.000 0.428 196 K N -0.103 120.361 120.400 0.107 0.000 2.063 196 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 196 K C 2.124 178.775 176.600 0.086 0.000 1.048 196 K CA 1.298 57.635 56.287 0.083 0.000 0.928 196 K CB -0.393 32.135 32.500 0.046 0.000 0.713 196 K HN 0.300 nan 8.250 nan 0.000 0.442 197 G N 1.245 110.087 108.800 0.070 0.000 2.421 197 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 197 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 197 G C 1.667 176.643 174.900 0.127 0.000 1.171 197 G CA 1.007 46.158 45.100 0.085 0.000 0.775 197 G HN 0.362 nan 8.290 nan 0.000 0.543 198 A N 1.213 124.092 122.820 0.098 0.000 1.908 198 A HA 0.198 4.518 4.320 -0.000 0.000 0.218 198 A C 2.821 180.459 177.584 0.090 0.000 1.181 198 A CA 2.430 54.521 52.037 0.090 0.000 0.627 198 A CB -0.823 18.216 19.000 0.064 0.000 0.818 198 A HN 0.815 nan 8.150 nan 0.000 0.445 199 A N -1.495 121.386 122.820 0.101 0.000 1.902 199 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 199 A C 2.049 179.710 177.584 0.128 0.000 1.181 199 A CA 1.588 53.683 52.037 0.097 0.000 0.623 199 A CB -0.695 18.365 19.000 0.100 0.000 0.818 199 A HN 0.574 nan 8.150 nan 0.000 0.443 200 F N 0.405 120.355 119.950 0.000 0.000 2.134 200 F HA -0.048 4.479 4.527 -0.000 0.000 0.299 200 F C 1.763 177.555 175.800 -0.014 0.000 1.097 200 F CA 1.417 59.410 58.000 -0.011 0.000 1.264 200 F CB -0.152 38.835 39.000 -0.020 0.000 1.001 200 F HN 0.103 nan 8.300 nan 0.000 0.479 201 L N -0.551 120.739 121.223 0.112 0.000 2.622 201 L HA 0.113 4.452 4.340 -0.000 0.000 0.233 201 L C 1.777 178.632 176.870 -0.024 0.000 1.156 201 L CA 0.786 55.643 54.840 0.028 0.000 0.866 201 L CB -0.998 41.108 42.059 0.079 0.000 0.980 201 L HN 0.456 nan 8.230 nan 0.000 0.448 202 G N -0.353 108.429 108.800 -0.030 0.000 2.175 202 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 202 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 202 G C 0.775 175.659 174.900 -0.026 0.000 0.982 202 G CA 0.314 45.388 45.100 -0.044 0.000 0.641 202 G HN 0.318 nan 8.290 nan 0.000 0.527 203 L N 0.666 121.888 121.223 -0.001 0.000 2.240 203 L HA 0.431 4.771 4.340 -0.000 0.000 0.211 203 L C 1.748 178.621 176.870 0.005 0.000 1.106 203 L CA 0.965 55.808 54.840 0.004 0.000 0.793 203 L CB -0.430 41.657 42.059 0.046 0.000 0.927 203 L HN 1.251 nan 8.230 nan 0.000 0.446 204 G N -0.139 108.669 108.800 0.013 0.000 2.722 204 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.686 204 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.686 204 G C 0.638 175.547 174.900 0.015 0.000 1.282 204 G CA -0.092 45.015 45.100 0.011 0.000 0.817 204 G HN 0.239 nan 8.290 nan 0.000 0.605 205 T N -1.826 112.738 114.554 0.016 0.000 2.881 205 T HA -0.072 4.278 4.350 -0.000 0.000 0.270 205 T C 1.560 176.248 174.700 -0.020 0.000 1.068 205 T CA 2.076 64.180 62.100 0.008 0.000 1.131 205 T CB -0.096 68.781 68.868 0.016 0.000 0.871 205 T HN 0.487 nan 8.240 nan 0.000 0.479 206 D N 2.000 122.388 120.400 -0.021 0.000 2.263 206 D HA -0.065 4.575 4.640 -0.000 0.000 0.208 206 D C 2.420 178.690 176.300 -0.050 0.000 0.971 206 D CA 1.367 55.346 54.000 -0.035 0.000 0.867 206 D CB -0.372 40.413 40.800 -0.025 0.000 0.929 206 D HN 0.697 nan 8.370 nan 0.000 0.492 207 S N -0.422 115.255 115.700 -0.038 0.000 2.474 207 S HA -0.050 4.419 4.470 -0.000 0.000 0.235 207 S C 1.044 175.573 174.600 -0.120 0.000 0.997 207 S CA -0.025 58.146 58.200 -0.047 0.000 0.949 207 S CB -0.165 63.042 63.200 0.012 0.000 0.766 207 S HN -0.047 nan 8.310 nan 0.000 0.517 208 V N 4.233 124.081 119.914 -0.110 0.000 2.405 208 V HA 0.343 4.463 4.120 -0.000 0.000 0.264 208 V C 0.057 176.037 176.094 -0.190 0.000 1.048 208 V CA -0.533 61.674 62.300 -0.155 0.000 0.966 208 V CB 0.138 31.914 31.823 -0.079 0.000 1.015 208 V HN 0.350 nan 8.190 nan 0.000 0.477 209 R N 4.179 124.492 120.500 -0.312 0.000 2.221 209 R HA 0.436 4.776 4.340 -0.000 0.000 0.327 209 R C -0.666 175.593 176.300 -0.068 0.000 1.033 209 R CA -0.585 55.392 56.100 -0.205 0.000 0.887 209 R CB 1.187 31.310 30.300 -0.295 0.000 1.057 209 R HN 0.437 nan 8.270 nan 0.000 0.455 210 V N 4.280 124.167 119.914 -0.044 0.000 2.406 210 V HA 0.197 4.317 4.120 -0.000 0.000 0.272 210 V C 0.460 176.577 176.094 0.037 0.000 1.043 210 V CA -0.667 61.618 62.300 -0.024 0.000 0.915 210 V CB 1.576 33.324 31.823 -0.125 0.000 0.988 210 V HN 0.374 nan 8.190 nan 0.000 0.466 211 V N 5.140 125.101 119.914 0.078 0.000 2.481 211 V HA 0.321 4.441 4.120 -0.000 0.000 0.286 211 V C 0.436 176.570 176.094 0.068 0.000 1.042 211 V CA -0.950 61.404 62.300 0.091 0.000 0.928 211 V CB 1.603 33.496 31.823 0.116 0.000 0.986 211 V HN 0.890 nan 8.190 nan 0.000 0.462 212 K N 2.861 123.296 120.400 0.058 0.000 2.485 212 K HA 0.395 4.715 4.320 -0.000 0.000 0.277 212 K C -0.088 176.552 176.600 0.066 0.000 0.990 212 K CA 0.117 56.437 56.287 0.056 0.000 0.994 212 K CB 0.493 33.022 32.500 0.049 0.000 0.906 212 K HN 0.885 nan 8.250 nan 0.000 0.488 213 A N 3.515 126.380 122.820 0.075 0.000 2.340 213 A HA 0.321 4.641 4.320 -0.000 0.000 0.331 213 A C -0.898 176.737 177.584 0.085 0.000 1.140 213 A CA -0.880 51.208 52.037 0.086 0.000 0.801 213 A CB 0.924 19.988 19.000 0.106 0.000 1.234 213 A HN 0.925 nan 8.150 nan 0.000 0.469 214 D N 0.562 121.011 120.400 0.082 0.000 2.440 214 D HA 0.230 4.870 4.640 -0.000 0.000 0.269 214 D C 0.403 176.756 176.300 0.088 0.000 1.249 214 D CA -0.183 53.862 54.000 0.077 0.000 1.055 214 D CB 0.123 40.963 40.800 0.066 0.000 1.104 214 D HN 0.426 nan 8.370 nan 0.000 0.561 215 E N -1.483 118.764 120.200 0.078 0.000 2.338 215 E HA -0.044 4.306 4.350 -0.000 0.000 0.197 215 E C 1.414 178.060 176.600 0.076 0.000 1.007 215 E CA 0.749 57.197 56.400 0.080 0.000 0.849 215 E CB -0.132 29.608 29.700 0.068 0.000 0.774 215 E HN 0.329 nan 8.360 nan 0.000 0.506 216 R N -0.529 120.018 120.500 0.077 0.000 2.359 216 R HA 0.205 4.545 4.340 -0.000 0.000 0.231 216 R C 0.783 177.138 176.300 0.092 0.000 0.913 216 R CA 0.463 56.610 56.100 0.079 0.000 1.075 216 R CB 0.461 30.809 30.300 0.080 0.000 1.087 216 R HN 0.187 nan 8.270 nan 0.000 0.515 217 G N 1.961 110.823 108.800 0.103 0.000 2.160 217 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.251 217 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.251 217 G C -0.214 174.753 174.900 0.111 0.000 1.008 217 G CA 0.214 45.387 45.100 0.122 0.000 0.724 217 G HN 0.281 nan 8.290 nan 0.000 0.514 218 K N -0.127 120.332 120.400 0.099 0.000 2.159 218 K HA 0.561 4.881 4.320 -0.000 0.000 0.266 218 K C 0.788 177.436 176.600 0.080 0.000 0.975 218 K CA -0.892 55.449 56.287 0.090 0.000 0.865 218 K CB 1.448 34.001 32.500 0.089 0.000 1.087 218 K HN 0.262 nan 8.250 nan 0.000 0.446 219 M N 2.905 122.550 119.600 0.075 0.000 2.251 219 M HA -0.014 4.466 4.480 -0.000 0.000 0.343 219 M C -0.678 175.658 176.300 0.060 0.000 1.245 219 M CA 0.141 55.483 55.300 0.069 0.000 1.061 219 M CB 0.491 33.132 32.600 0.068 0.000 1.723 219 M HN 0.274 nan 8.290 nan 0.000 0.449 220 V N 9.220 129.168 119.914 0.055 0.000 2.368 220 V HA 0.146 4.266 4.120 -0.000 0.000 0.266 220 V C -1.799 174.316 176.094 0.036 0.000 1.045 220 V CA -1.173 61.155 62.300 0.046 0.000 0.899 220 V CB 0.678 32.528 31.823 0.045 0.000 1.006 220 V HN 0.798 nan 8.190 nan 0.000 0.470 221 P HA -0.119 nan 4.420 nan 0.000 0.218 221 P C 1.257 178.564 177.300 0.012 0.000 1.148 221 P CA 0.933 64.045 63.100 0.020 0.000 0.822 221 P CB 0.437 32.151 31.700 0.023 0.000 0.784 222 E N -0.695 119.516 120.200 0.018 0.000 2.110 222 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 222 E C 1.747 178.354 176.600 0.012 0.000 0.988 222 E CA 1.276 57.685 56.400 0.016 0.000 0.804 222 E CB -0.898 28.815 29.700 0.021 0.000 0.745 222 E HN 0.285 nan 8.360 nan 0.000 0.458 223 D N -0.683 119.727 120.400 0.018 0.000 2.194 223 D HA -0.087 4.553 4.640 -0.000 0.000 0.204 223 D C 1.707 178.011 176.300 0.007 0.000 0.964 223 D CA 0.252 54.265 54.000 0.021 0.000 0.846 223 D CB 0.052 40.873 40.800 0.036 0.000 0.962 223 D HN 0.089 nan 8.370 nan 0.000 0.490 224 L N 0.999 122.217 121.223 -0.008 0.000 1.989 224 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 224 L C 2.091 178.858 176.870 -0.172 0.000 1.071 224 L CA 1.987 56.785 54.840 -0.070 0.000 0.749 224 L CB -0.950 41.071 42.059 -0.063 0.000 0.890 224 L HN -0.023 nan 8.230 nan 0.000 0.431 225 E N -0.079 120.055 120.200 -0.110 0.000 2.085 225 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 225 E C 2.459 179.001 176.600 -0.097 0.000 0.994 225 E CA 1.736 58.070 56.400 -0.110 0.000 0.801 225 E CB -0.359 29.339 29.700 -0.004 0.000 0.743 225 E HN 0.478 nan 8.360 nan 0.000 0.453 226 R N -0.348 120.128 120.500 -0.040 0.000 2.083 226 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 226 R C 2.339 178.635 176.300 -0.005 0.000 1.137 226 R CA 1.812 57.907 56.100 -0.009 0.000 0.951 226 R CB -0.121 30.186 30.300 0.013 0.000 0.851 226 R HN 0.267 nan 8.270 nan 0.000 0.434 227 Q N 0.220 120.021 119.800 0.002 0.000 2.119 227 Q HA -0.137 4.203 4.340 -0.000 0.000 0.201 227 Q C 2.259 178.322 176.000 0.105 0.000 0.972 227 Q CA 1.307 57.175 55.803 0.108 0.000 0.847 227 Q CB -0.083 28.796 28.738 0.235 0.000 0.903 227 Q HN 0.475 nan 8.270 nan 0.000 0.433 228 I N 0.345 120.756 120.570 -0.265 0.000 2.163 228 I HA -0.223 3.947 4.170 -0.000 0.000 0.243 228 I C 2.369 178.408 176.117 -0.128 0.000 1.085 228 I CA 1.338 62.384 61.300 -0.424 0.000 1.347 228 I CB -0.666 36.829 38.000 -0.843 0.000 1.044 228 I HN 0.224 nan 8.210 nan 0.000 0.408 229 G N 0.489 109.230 108.800 -0.098 0.000 2.442 229 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.219 229 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.219 229 G C 1.730 176.655 174.900 0.042 0.000 1.141 229 G CA 0.614 45.715 45.100 0.000 0.000 0.763 229 G HN 0.244 nan 8.290 nan 0.000 0.554 230 M N 0.667 120.300 119.600 0.055 0.000 2.132 230 M HA 0.051 4.531 4.480 -0.000 0.000 0.263 230 M C 3.060 179.414 176.300 0.091 0.000 1.065 230 M CA 1.260 56.602 55.300 0.070 0.000 1.122 230 M CB -0.196 32.447 32.600 0.072 0.000 1.365 230 M HN 0.309 nan 8.290 nan 0.000 0.411 231 A N 0.493 123.399 122.820 0.143 0.000 1.877 231 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 231 A C 1.920 179.579 177.584 0.125 0.000 1.186 231 A CA 1.811 53.944 52.037 0.161 0.000 0.620 231 A CB -0.713 18.471 19.000 0.308 0.000 0.822 231 A HN 0.520 nan 8.150 nan 0.000 0.443 232 E N -0.317 119.952 120.200 0.115 0.000 2.077 232 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 232 E C 2.254 178.900 176.600 0.077 0.000 0.989 232 E CA 0.947 57.406 56.400 0.098 0.000 0.800 232 E CB -0.297 29.458 29.700 0.092 0.000 0.746 232 E HN 0.622 nan 8.360 nan 0.000 0.452 233 A N 1.215 124.075 122.820 0.067 0.000 2.019 233 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 233 A C 1.728 179.340 177.584 0.047 0.000 1.164 233 A CA 1.375 53.443 52.037 0.053 0.000 0.644 233 A CB -0.312 18.716 19.000 0.047 0.000 0.805 233 A HN 0.165 nan 8.150 nan 0.000 0.449 234 E N -1.718 118.513 120.200 0.052 0.000 2.481 234 E HA 0.265 4.615 4.350 -0.000 0.000 0.195 234 E C 1.209 177.834 176.600 0.041 0.000 1.047 234 E CA 0.356 56.782 56.400 0.042 0.000 0.867 234 E CB -0.054 29.671 29.700 0.041 0.000 0.858 234 E HN 0.724 nan 8.360 nan 0.000 0.513 235 G N 0.877 109.708 108.800 0.052 0.000 2.176 235 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.253 235 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.253 235 G C 0.381 175.315 174.900 0.057 0.000 0.979 235 G CA 0.010 45.140 45.100 0.050 0.000 0.641 235 G HN 0.481 nan 8.290 nan 0.000 0.530 236 A N -0.293 122.568 122.820 0.068 0.000 2.407 236 A HA 0.655 4.975 4.320 -0.000 0.000 0.248 236 A C 0.508 178.170 177.584 0.130 0.000 1.082 236 A CA 0.322 52.408 52.037 0.083 0.000 0.785 236 A CB 1.034 20.082 19.000 0.080 0.000 1.020 236 A HN 1.125 nan 8.150 nan 0.000 0.489 237 V N 5.087 125.093 119.914 0.153 0.000 2.334 237 V HA 0.247 4.367 4.120 -0.000 0.000 0.267 237 V C -2.196 174.090 176.094 0.320 0.000 1.040 237 V CA -1.392 61.039 62.300 0.219 0.000 0.866 237 V CB 0.939 32.906 31.823 0.239 0.000 1.019 237 V HN 0.741 nan 8.190 nan 0.000 0.468 238 P HA 0.143 nan 4.420 nan 0.000 0.268 238 P C 0.022 177.611 177.300 0.480 0.000 1.204 238 P CA 0.239 63.616 63.100 0.460 0.000 0.768 238 P CB 0.265 32.174 31.700 0.348 0.000 0.842 239 F N 2.238 122.346 119.950 0.263 0.000 2.912 239 F HA 0.516 5.043 4.527 -0.000 0.000 0.357 239 F C -0.617 175.331 175.800 0.246 0.000 1.003 239 F CA -0.392 57.736 58.000 0.214 0.000 1.132 239 F CB 0.523 39.623 39.000 0.167 0.000 1.055 239 F HN 0.109 nan 8.300 nan 0.000 0.572 240 L N 1.861 122.841 121.223 -0.406 0.000 2.513 240 L HA 0.754 5.094 4.340 -0.000 0.000 0.261 240 L C -1.849 175.043 176.870 0.036 0.000 0.945 240 L CA -0.859 53.835 54.840 -0.245 0.000 0.848 240 L CB 2.430 44.090 42.059 -0.666 0.000 1.334 240 L HN -0.136 nan 8.230 nan 0.000 0.407 241 V N 2.692 122.707 119.914 0.168 0.000 2.495 241 V HA 0.501 4.620 4.120 -0.000 0.000 0.298 241 V C -0.163 176.060 176.094 0.215 0.000 1.031 241 V CA -0.462 61.961 62.300 0.204 0.000 0.871 241 V CB 1.750 33.659 31.823 0.144 0.000 0.988 241 V HN 0.739 nan 8.190 nan 0.000 0.432 242 S N 3.773 119.592 115.700 0.199 0.000 2.461 242 S HA 0.735 5.205 4.470 -0.000 0.000 0.322 242 S C 0.042 174.729 174.600 0.145 0.000 1.063 242 S CA -0.264 58.071 58.200 0.224 0.000 1.120 242 S CB 0.547 63.899 63.200 0.254 0.000 0.968 242 S HN 1.058 nan 8.310 nan 0.000 0.467 243 A N 4.061 126.940 122.820 0.097 0.000 2.302 243 A HA 0.720 5.040 4.320 -0.000 0.000 0.285 243 A C 0.142 177.735 177.584 0.015 0.000 1.105 243 A CA -0.479 51.590 52.037 0.054 0.000 0.816 243 A CB 0.576 19.599 19.000 0.038 0.000 1.067 243 A HN 0.677 nan 8.150 nan 0.000 0.489 244 T N 1.693 116.249 114.554 0.002 0.000 2.786 244 T HA 0.443 4.793 4.350 -0.000 0.000 0.283 244 T C -0.274 174.349 174.700 -0.129 0.000 0.992 244 T CA -0.210 61.866 62.100 -0.040 0.000 0.954 244 T CB 1.109 69.973 68.868 -0.007 0.000 0.934 244 T HN 0.425 nan 8.240 nan 0.000 0.440 245 S N 2.805 118.377 115.700 -0.213 0.000 2.567 245 S HA 0.602 5.072 4.470 -0.000 0.000 0.262 245 S C 0.653 174.715 174.600 -0.895 0.000 1.237 245 S CA -0.598 57.337 58.200 -0.441 0.000 1.093 245 S CB 0.317 63.425 63.200 -0.154 0.000 1.095 245 S HN 1.216 nan 8.310 nan 0.000 0.489 246 G N 2.654 110.711 108.800 -1.239 0.000 2.788 246 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.301 246 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.301 246 G C -0.098 174.802 174.900 -0.000 0.000 1.000 246 G CA -0.552 44.075 45.100 -0.788 0.000 1.267 246 G HN 0.763 nan 8.290 nan 0.000 0.578 247 T N -0.693 113.875 114.554 0.023 0.000 2.898 247 T HA 0.534 4.884 4.350 -0.000 0.000 0.301 247 T C 2.035 176.855 174.700 0.199 0.000 1.049 247 T CA 0.952 63.121 62.100 0.116 0.000 1.095 247 T CB 1.365 70.286 68.868 0.089 0.000 0.976 247 T HN 1.570 nan 8.240 nan 0.000 0.539 248 T N -0.267 114.343 114.554 0.092 0.000 2.821 248 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 248 T C 1.748 176.427 174.700 -0.034 0.000 1.046 248 T CA 1.095 63.174 62.100 -0.035 0.000 1.139 248 T CB -0.562 68.268 68.868 -0.062 0.000 0.871 248 T HN 0.427 nan 8.240 nan 0.000 0.454 249 V N 1.228 121.168 119.914 0.045 0.000 2.326 249 V HA 0.210 4.330 4.120 -0.000 0.000 0.237 249 V C 2.674 178.814 176.094 0.077 0.000 1.044 249 V CA 0.996 63.325 62.300 0.048 0.000 1.035 249 V CB -0.582 31.301 31.823 0.099 0.000 0.675 249 V HN 0.366 nan 8.190 nan 0.000 0.470 250 L N 0.558 121.827 121.223 0.077 0.000 2.418 250 L HA 0.260 4.600 4.340 -0.000 0.000 0.218 250 L C 1.703 178.670 176.870 0.161 0.000 1.125 250 L CA 0.936 55.816 54.840 0.066 0.000 0.835 250 L CB -0.663 41.400 42.059 0.007 0.000 0.953 250 L HN 0.663 nan 8.230 nan 0.000 0.454 251 G N 0.726 109.673 108.800 0.244 0.000 2.221 251 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.265 251 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.265 251 G C 0.345 175.419 174.900 0.289 0.000 1.041 251 G CA 0.164 45.506 45.100 0.403 0.000 0.807 251 G HN 0.517 nan 8.290 nan 0.000 0.502 252 A N -0.710 122.202 122.820 0.153 0.000 2.351 252 A HA 0.772 5.092 4.320 -0.000 0.000 0.257 252 A C -0.192 177.379 177.584 -0.021 0.000 1.087 252 A CA -0.071 52.058 52.037 0.153 0.000 0.798 252 A CB 0.516 19.588 19.000 0.121 0.000 1.033 252 A HN 0.704 nan 8.150 nan 0.000 0.488 253 F N 0.967 120.921 119.950 0.007 0.000 2.449 253 F HA 0.256 4.783 4.527 -0.000 0.000 0.342 253 F C 0.045 175.838 175.800 -0.012 0.000 1.127 253 F CA -0.555 57.420 58.000 -0.041 0.000 0.975 253 F CB 1.673 40.603 39.000 -0.116 0.000 1.146 253 F HN 0.512 nan 8.300 nan 0.000 0.444 254 D N 4.852 125.308 120.400 0.093 0.000 2.382 254 D HA 0.087 4.727 4.640 -0.000 0.000 0.240 254 D C -2.153 174.197 176.300 0.084 0.000 1.146 254 D CA -1.145 52.902 54.000 0.078 0.000 0.897 254 D CB 0.644 41.472 40.800 0.048 0.000 1.197 254 D HN 0.181 nan 8.370 nan 0.000 0.432 255 P HA 0.098 nan 4.420 nan 0.000 0.260 255 P C 0.800 178.124 177.300 0.041 0.000 1.651 255 P CA -0.029 63.103 63.100 0.053 0.000 1.139 255 P CB 0.200 31.928 31.700 0.047 0.000 1.756 256 L N 1.382 122.626 121.223 0.036 0.000 2.141 256 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 256 L C 2.391 179.275 176.870 0.024 0.000 1.094 256 L CA 1.253 56.109 54.840 0.027 0.000 0.763 256 L CB -0.637 41.431 42.059 0.016 0.000 0.908 256 L HN 0.236 nan 8.230 nan 0.000 0.437 257 E N 0.645 120.857 120.200 0.020 0.000 2.051 257 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 257 E C 2.342 178.954 176.600 0.020 0.000 0.991 257 E CA 1.440 57.850 56.400 0.017 0.000 0.799 257 E CB -0.154 29.553 29.700 0.012 0.000 0.748 257 E HN 0.459 nan 8.360 nan 0.000 0.449 258 A N 1.232 124.065 122.820 0.022 0.000 1.902 258 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 258 A C 2.313 179.912 177.584 0.025 0.000 1.181 258 A CA 1.069 53.120 52.037 0.023 0.000 0.623 258 A CB -0.620 18.395 19.000 0.024 0.000 0.818 258 A HN 0.151 nan 8.150 nan 0.000 0.443 259 I N -0.335 120.253 120.570 0.029 0.000 2.252 259 I HA -0.237 3.932 4.170 -0.000 0.000 0.245 259 I C 2.946 179.083 176.117 0.034 0.000 1.102 259 I CA 0.937 62.255 61.300 0.031 0.000 1.385 259 I CB -0.309 37.713 38.000 0.038 0.000 1.064 259 I HN 0.344 nan 8.210 nan 0.000 0.414 260 A N 0.547 123.386 122.820 0.033 0.000 1.940 260 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 260 A C 1.918 179.519 177.584 0.028 0.000 1.176 260 A CA 2.083 54.139 52.037 0.032 0.000 0.631 260 A CB -0.579 18.438 19.000 0.028 0.000 0.814 260 A HN 0.344 nan 8.150 nan 0.000 0.446 261 D N -0.233 120.182 120.400 0.024 0.000 2.117 261 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 261 D C 2.080 178.399 176.300 0.031 0.000 0.987 261 D CA 1.500 55.512 54.000 0.020 0.000 0.829 261 D CB -0.489 40.320 40.800 0.015 0.000 0.961 261 D HN 0.231 nan 8.370 nan 0.000 0.460 262 V N 0.640 120.581 119.914 0.046 0.000 2.343 262 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 262 V C 2.718 178.889 176.094 0.129 0.000 1.051 262 V CA 1.303 63.658 62.300 0.091 0.000 1.036 262 V CB -0.573 31.279 31.823 0.049 0.000 0.654 262 V HN 0.289 nan 8.190 nan 0.000 0.451 263 C N -0.654 118.691 119.300 0.076 0.000 2.429 263 C HA -0.206 4.254 4.460 -0.000 0.000 0.277 263 C C 2.837 177.875 174.990 0.081 0.000 1.262 263 C CA 1.497 60.565 59.018 0.084 0.000 1.733 263 C CB -0.996 26.785 27.740 0.068 0.000 2.010 263 C HN 0.659 nan 8.230 nan 0.000 0.483 264 Q N 0.448 120.274 119.800 0.044 0.000 2.084 264 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 264 Q C 2.447 178.444 176.000 -0.005 0.000 0.978 264 Q CA 1.358 57.172 55.803 0.018 0.000 0.844 264 Q CB -0.142 28.599 28.738 0.005 0.000 0.898 264 Q HN 0.599 nan 8.270 nan 0.000 0.426 265 R N -0.887 119.595 120.500 -0.030 0.000 2.120 265 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 265 R C 1.445 177.583 176.300 -0.270 0.000 1.123 265 R CA 1.155 57.163 56.100 -0.155 0.000 0.975 265 R CB -0.017 30.155 30.300 -0.213 0.000 0.866 265 R HN 0.457 nan 8.270 nan 0.000 0.446 266 H N -1.420 117.650 119.070 -0.000 0.000 2.652 266 H HA 0.149 4.705 4.556 -0.000 0.000 0.274 266 H C 0.837 176.186 175.328 0.035 0.000 1.021 266 H CA 0.654 56.708 56.048 0.010 0.000 1.187 266 H CB 1.128 30.883 29.762 -0.013 0.000 1.505 266 H HN 0.388 nan 8.280 nan 0.000 0.530 267 G N 1.818 110.685 108.800 0.111 0.000 2.273 267 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.280 267 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.280 267 G C 0.016 175.001 174.900 0.142 0.000 1.047 267 G CA 0.131 45.290 45.100 0.098 0.000 0.869 267 G HN 0.252 nan 8.290 nan 0.000 0.502 268 L N -0.689 120.628 121.223 0.157 0.000 2.322 268 L HA 0.472 4.812 4.340 -0.000 0.000 0.279 268 L C 1.002 178.009 176.870 0.228 0.000 1.036 268 L CA -1.263 53.697 54.840 0.199 0.000 0.807 268 L CB 1.065 43.220 42.059 0.159 0.000 1.226 268 L HN 0.285 nan 8.230 nan 0.000 0.433 269 W N 4.109 125.461 121.300 0.086 0.000 2.251 269 W HA 0.155 4.814 4.660 -0.000 0.000 0.327 269 W C -1.159 175.413 176.519 0.088 0.000 1.361 269 W CA -0.427 56.972 57.345 0.089 0.000 1.234 269 W CB 0.953 30.477 29.460 0.107 0.000 1.212 269 W HN 0.223 nan 8.180 nan 0.000 0.557 270 L N 7.690 128.977 121.223 0.105 0.000 2.276 270 L HA 0.235 4.575 4.340 -0.000 0.000 0.286 270 L C -0.885 176.141 176.870 0.261 0.000 1.024 270 L CA -0.481 54.461 54.840 0.170 0.000 0.826 270 L CB 0.623 42.718 42.059 0.060 0.000 1.211 270 L HN 0.438 nan 8.230 nan 0.000 0.422 271 H N 3.688 122.966 119.070 0.346 0.000 2.458 271 H HA 0.659 5.215 4.556 -0.000 0.000 0.330 271 H C -1.305 174.149 175.328 0.210 0.000 1.111 271 H CA -0.571 55.685 56.048 0.347 0.000 1.245 271 H CB 1.478 31.467 29.762 0.378 0.000 1.456 271 H HN 0.398 nan 8.280 nan 0.000 0.488 272 V N 5.374 125.059 119.914 -0.383 0.000 2.357 272 V HA 0.098 4.218 4.120 -0.000 0.000 0.284 272 V C -0.138 175.664 176.094 -0.486 0.000 1.018 272 V CA -0.898 61.220 62.300 -0.303 0.000 0.841 272 V CB 1.203 32.950 31.823 -0.125 0.000 0.991 272 V HN 0.826 nan 8.190 nan 0.000 0.437 273 D N 4.826 125.054 120.400 -0.286 0.000 2.435 273 D HA 0.349 4.989 4.640 -0.000 0.000 0.230 273 D C 0.608 176.881 176.300 -0.045 0.000 1.215 273 D CA -0.115 53.836 54.000 -0.082 0.000 0.947 273 D CB 1.234 42.081 40.800 0.079 0.000 1.048 273 D HN 0.639 nan 8.370 nan 0.000 0.512 274 A N 3.212 126.010 122.820 -0.038 0.000 2.708 274 A HA 0.507 4.827 4.320 -0.000 0.000 0.293 274 A C 1.792 179.406 177.584 0.049 0.000 1.303 274 A CA 0.297 52.293 52.037 -0.069 0.000 0.949 274 A CB -0.024 18.870 19.000 -0.176 0.000 1.121 274 A HN 0.525 nan 8.150 nan 0.000 0.542 275 A N 0.077 122.992 122.820 0.157 0.000 1.903 275 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 275 A C 1.935 179.718 177.584 0.332 0.000 1.191 275 A CA 1.748 53.933 52.037 0.247 0.000 0.638 275 A CB -0.696 18.435 19.000 0.218 0.000 0.823 275 A HN 0.925 nan 8.150 nan 0.000 0.451 276 W N -0.475 120.867 121.300 0.069 0.000 2.633 276 W HA 0.092 4.752 4.660 -0.000 0.000 0.295 276 W C 2.033 178.661 176.519 0.181 0.000 1.133 276 W CA 0.599 58.026 57.345 0.137 0.000 1.490 276 W CB -0.023 29.517 29.460 0.134 0.000 1.127 276 W HN 0.351 nan 8.180 nan 0.000 0.538 277 G N 0.333 109.077 108.800 -0.093 0.000 2.650 277 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.214 277 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.214 277 G C 1.506 176.195 174.900 -0.351 0.000 1.136 277 G CA 0.690 45.553 45.100 -0.396 0.000 0.789 277 G HN 0.413 nan 8.290 nan 0.000 0.536 278 G N 1.005 109.526 108.800 -0.466 0.000 2.450 278 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.220 278 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.220 278 G C 1.967 176.053 174.900 -1.356 0.000 1.130 278 G CA 1.266 45.731 45.100 -1.059 0.000 0.760 278 G HN 0.395 nan 8.290 nan 0.000 0.557 279 S N -0.005 115.317 115.700 -0.629 0.000 2.442 279 S HA -0.081 4.389 4.470 -0.000 0.000 0.236 279 S C 2.307 176.856 174.600 -0.084 0.000 1.007 279 S CA 0.852 59.040 58.200 -0.020 0.000 0.965 279 S CB -0.045 63.318 63.200 0.272 0.000 0.773 279 S HN 0.215 nan 8.310 nan 0.000 0.504 280 V N 1.975 121.769 119.914 -0.200 0.000 2.913 280 V HA -0.094 4.026 4.120 -0.000 0.000 0.260 280 V C 1.878 177.861 176.094 -0.185 0.000 1.098 280 V CA 1.031 63.241 62.300 -0.150 0.000 1.121 280 V CB -0.850 30.812 31.823 -0.268 0.000 0.714 280 V HN 0.488 nan 8.190 nan 0.000 0.487 281 L N -0.848 120.212 121.223 -0.271 0.000 2.261 281 L HA -0.183 4.157 4.340 -0.000 0.000 0.216 281 L C 2.202 179.057 176.870 -0.025 0.000 1.114 281 L CA 0.960 55.684 54.840 -0.194 0.000 0.777 281 L CB -0.468 41.412 42.059 -0.299 0.000 0.910 281 L HN 0.319 nan 8.230 nan 0.000 0.440 282 L N -0.999 120.247 121.223 0.038 0.000 2.376 282 L HA -0.034 4.306 4.340 -0.000 0.000 0.219 282 L C 1.366 178.250 176.870 0.024 0.000 1.133 282 L CA 0.949 55.834 54.840 0.075 0.000 0.816 282 L CB -0.403 41.685 42.059 0.049 0.000 0.933 282 L HN 0.061 nan 8.230 nan 0.000 0.449 283 S N -1.165 114.527 115.700 -0.014 0.000 2.422 283 S HA 0.132 4.602 4.470 -0.000 0.000 0.308 283 S C 0.948 175.500 174.600 -0.079 0.000 1.097 283 S CA -0.583 57.597 58.200 -0.033 0.000 1.099 283 S CB 1.073 64.265 63.200 -0.014 0.000 0.976 283 S HN 0.345 nan 8.310 nan 0.000 0.471 284 Q N 3.374 123.132 119.800 -0.071 0.000 2.124 284 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 284 Q C 1.457 177.375 176.000 -0.137 0.000 0.977 284 Q CA 2.152 57.904 55.803 -0.084 0.000 0.850 284 Q CB -0.278 28.421 28.738 -0.064 0.000 0.901 284 Q HN 0.857 nan 8.270 nan 0.000 0.429 285 T N -0.288 114.131 114.554 -0.225 0.000 2.746 285 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 285 T C 1.039 175.447 174.700 -0.487 0.000 1.039 285 T CA 1.286 63.142 62.100 -0.407 0.000 1.142 285 T CB -0.120 68.388 68.868 -0.600 0.000 0.866 285 T HN 0.426 nan 8.240 nan 0.000 0.444 286 H N 0.180 119.068 119.070 -0.303 0.000 2.827 286 H HA 0.206 4.762 4.556 -0.000 0.000 0.269 286 H C 2.181 177.125 175.328 -0.640 0.000 1.031 286 H CA 0.173 55.871 56.048 -0.584 0.000 1.202 286 H CB 0.246 29.409 29.762 -0.999 0.000 1.511 286 H HN 0.442 nan 8.280 nan 0.000 0.517 287 R N 1.371 121.698 120.500 -0.289 0.000 2.237 287 R HA -0.110 4.230 4.340 -0.000 0.000 0.219 287 R C 1.615 177.732 176.300 -0.305 0.000 1.080 287 R CA 1.362 57.290 56.100 -0.286 0.000 0.995 287 R CB -0.992 29.205 30.300 -0.171 0.000 0.875 287 R HN 0.428 nan 8.270 nan 0.000 0.462 288 H N 0.357 119.295 119.070 -0.220 0.000 2.518 288 H HA 0.004 4.560 4.556 -0.000 0.000 0.292 288 H C 1.703 176.895 175.328 -0.226 0.000 1.068 288 H CA 1.133 57.066 56.048 -0.191 0.000 1.275 288 H CB -0.315 29.347 29.762 -0.167 0.000 1.375 288 H HN 0.162 nan 8.280 nan 0.000 0.563 289 L N -0.154 120.570 121.223 -0.832 0.000 2.261 289 L HA -0.127 4.213 4.340 -0.000 0.000 0.216 289 L C 0.927 177.553 176.870 -0.406 0.000 1.114 289 L CA 0.858 55.239 54.840 -0.766 0.000 0.777 289 L CB -0.155 41.047 42.059 -1.428 0.000 0.910 289 L HN 0.335 nan 8.230 nan 0.000 0.440 290 L N -1.517 119.528 121.223 -0.298 0.000 2.872 290 L HA 0.179 4.519 4.340 -0.000 0.000 0.245 290 L C -0.086 176.720 176.870 -0.106 0.000 1.211 290 L CA -0.115 54.642 54.840 -0.138 0.000 1.013 290 L CB -0.218 41.737 42.059 -0.173 0.000 1.326 290 L HN -0.072 nan 8.230 nan 0.000 0.525 291 D N 1.482 121.831 120.400 -0.086 0.000 2.531 291 D HA 0.293 4.933 4.640 -0.000 0.000 0.239 291 D C 1.368 177.650 176.300 -0.030 0.000 1.144 291 D CA 1.614 55.586 54.000 -0.047 0.000 0.869 291 D CB 1.055 41.844 40.800 -0.017 0.000 1.160 291 D HN 0.361 nan 8.370 nan 0.000 0.484 292 G N 2.503 111.287 108.800 -0.027 0.000 2.195 292 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.224 292 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.224 292 G C 1.137 176.033 174.900 -0.008 0.000 0.990 292 G CA 0.167 45.263 45.100 -0.007 0.000 0.639 292 G HN 0.568 nan 8.290 nan 0.000 0.514 293 I N 1.478 122.019 120.570 -0.049 0.000 2.454 293 I HA -0.189 3.981 4.170 -0.000 0.000 0.254 293 I C 2.858 178.941 176.117 -0.058 0.000 1.156 293 I CA 2.231 63.487 61.300 -0.073 0.000 1.433 293 I CB -0.017 37.892 38.000 -0.152 0.000 1.082 293 I HN 0.472 nan 8.210 nan 0.000 0.432 294 Q N 1.213 120.977 119.800 -0.060 0.000 2.439 294 Q HA -0.222 4.118 4.340 -0.000 0.000 0.211 294 Q C 1.627 177.840 176.000 0.356 0.000 0.978 294 Q CA 1.322 57.171 55.803 0.076 0.000 0.897 294 Q CB -0.642 28.122 28.738 0.043 0.000 0.956 294 Q HN 0.534 nan 8.270 nan 0.000 0.483 295 R N 0.483 121.090 120.500 0.179 0.000 2.299 295 R HA 0.313 4.653 4.340 -0.000 0.000 0.197 295 R C 0.792 177.166 176.300 0.124 0.000 0.971 295 R CA 0.367 56.547 56.100 0.134 0.000 1.030 295 R CB 0.134 30.473 30.300 0.064 0.000 0.932 295 R HN 0.255 nan 8.270 nan 0.000 0.477 296 A N 1.216 124.159 122.820 0.204 0.000 2.386 296 A HA 0.021 4.341 4.320 -0.000 0.000 0.248 296 A C 0.411 178.037 177.584 0.070 0.000 1.082 296 A CA -0.255 51.872 52.037 0.151 0.000 0.789 296 A CB 0.402 19.519 19.000 0.196 0.000 1.025 296 A HN 0.113 nan 8.150 nan 0.000 0.490 297 D N -0.269 119.985 120.400 -0.244 0.000 2.213 297 D HA 0.014 4.654 4.640 -0.000 0.000 0.205 297 D C 0.518 176.660 176.300 -0.263 0.000 0.961 297 D CA 1.751 55.369 54.000 -0.637 0.000 0.853 297 D CB 0.128 39.904 40.800 -1.708 0.000 0.967 297 D HN 0.618 nan 8.370 nan 0.000 0.496 298 S N -0.341 115.461 115.700 0.170 0.000 2.541 298 S HA 0.581 5.051 4.470 -0.000 0.000 0.271 298 S C -0.880 174.006 174.600 0.477 0.000 1.133 298 S CA -0.852 57.659 58.200 0.517 0.000 0.876 298 S CB 2.774 66.482 63.200 0.845 0.000 1.105 298 S HN -0.145 nan 8.310 nan 0.000 0.470 299 V N 1.262 121.438 119.914 0.436 0.000 2.623 299 V HA 0.805 4.925 4.120 -0.000 0.000 0.304 299 V C 0.051 176.320 176.094 0.292 0.000 1.054 299 V CA -0.530 61.902 62.300 0.219 0.000 0.882 299 V CB 1.526 33.431 31.823 0.137 0.000 1.002 299 V HN 1.303 nan 8.190 nan 0.000 0.424 300 A N 4.893 127.856 122.820 0.238 0.000 2.290 300 A HA 0.814 5.134 4.320 -0.000 0.000 0.310 300 A C -1.295 176.476 177.584 0.311 0.000 1.202 300 A CA -0.360 51.864 52.037 0.311 0.000 0.837 300 A CB 0.800 20.015 19.000 0.359 0.000 1.139 300 A HN 0.963 nan 8.150 nan 0.000 0.509 301 W N 2.835 124.189 121.300 0.091 0.000 3.211 301 W HA 0.467 5.127 4.660 -0.000 0.000 0.335 301 W C -1.935 174.638 176.519 0.090 0.000 1.113 301 W CA -1.577 55.817 57.345 0.081 0.000 1.235 301 W CB 1.388 30.886 29.460 0.063 0.000 1.365 301 W HN 0.584 nan 8.180 nan 0.000 0.476 302 N N 7.546 126.549 118.700 0.505 0.000 2.699 302 N HA 0.285 5.025 4.740 -0.000 0.000 0.232 302 N C -1.988 173.654 175.510 0.220 0.000 1.027 302 N CA -1.933 51.217 53.050 0.167 0.000 0.920 302 N CB 1.626 39.986 38.487 -0.211 0.000 1.148 302 N HN 0.077 nan 8.380 nan 0.000 0.509 303 P HA -0.155 nan 4.420 nan 0.000 0.223 303 P C 1.080 178.510 177.300 0.217 0.000 1.144 303 P CA 1.066 64.288 63.100 0.203 0.000 0.783 303 P CB -0.042 31.723 31.700 0.108 0.000 0.771 304 H N -1.235 117.966 119.070 0.218 0.000 2.545 304 H HA 0.103 4.659 4.556 -0.000 0.000 0.282 304 H C 1.098 176.559 175.328 0.222 0.000 1.020 304 H CA 0.595 56.734 56.048 0.152 0.000 1.243 304 H CB -0.010 29.782 29.762 0.050 0.000 1.377 304 H HN 0.125 nan 8.280 nan 0.000 0.581 305 K N 0.250 120.762 120.400 0.188 0.000 2.311 305 K HA 0.038 4.358 4.320 -0.000 0.000 0.206 305 K C 1.990 178.876 176.600 0.476 0.000 1.056 305 K CA 0.251 56.777 56.287 0.399 0.000 1.051 305 K CB -0.030 32.724 32.500 0.424 0.000 1.299 305 K HN 0.024 nan 8.250 nan 0.000 0.461 306 L N 1.659 123.207 121.223 0.542 0.000 2.201 306 L HA -0.040 4.300 4.340 -0.000 0.000 0.212 306 L C 1.730 178.758 176.870 0.263 0.000 1.105 306 L CA 1.479 56.563 54.840 0.406 0.000 0.775 306 L CB -0.204 41.989 42.059 0.224 0.000 0.913 306 L HN 0.258 nan 8.230 nan 0.000 0.440 307 L N -0.497 120.875 121.223 0.248 0.000 2.558 307 L HA 0.222 4.562 4.340 -0.000 0.000 0.225 307 L C 1.376 178.333 176.870 0.145 0.000 1.128 307 L CA 0.456 55.385 54.840 0.149 0.000 0.868 307 L CB -0.531 41.589 42.059 0.102 0.000 1.006 307 L HN 0.329 nan 8.230 nan 0.000 0.454 308 A N 0.136 123.079 122.820 0.204 0.000 2.925 308 A HA -0.258 4.062 4.320 -0.000 0.000 0.265 308 A C 1.619 179.296 177.584 0.154 0.000 1.419 308 A CA 0.745 52.896 52.037 0.191 0.000 0.807 308 A CB -1.775 17.318 19.000 0.154 0.000 1.043 308 A HN 0.459 nan 8.150 nan 0.000 0.600 309 A N -0.719 122.202 122.820 0.168 0.000 2.014 309 A HA 0.510 4.830 4.320 -0.000 0.000 0.218 309 A C 2.256 179.898 177.584 0.097 0.000 1.163 309 A CA 1.856 53.975 52.037 0.138 0.000 0.652 309 A CB -0.346 18.748 19.000 0.158 0.000 0.808 309 A HN 2.910 nan 8.150 nan 0.000 0.449 310 G N -1.558 107.294 108.800 0.087 0.000 2.885 310 G HA2 0.202 4.162 3.960 -0.000 0.000 0.685 310 G HA3 0.202 4.162 3.960 -0.000 0.000 0.685 310 G C -0.898 173.944 174.900 -0.097 0.000 1.216 310 G CA -0.751 44.337 45.100 -0.020 0.000 0.790 310 G HN 0.446 nan 8.290 nan 0.000 0.631 311 L N 1.839 122.884 121.223 -0.296 0.000 2.455 311 L HA 0.321 4.661 4.340 -0.000 0.000 0.272 311 L C 1.201 177.906 176.870 -0.274 0.000 1.174 311 L CA 0.799 55.342 54.840 -0.496 0.000 0.869 311 L CB 0.710 42.419 42.059 -0.583 0.000 1.130 311 L HN 0.665 nan 8.230 nan 0.000 0.474 312 Q N 1.837 121.511 119.800 -0.211 0.000 2.235 312 Q HA 0.510 4.850 4.340 -0.000 0.000 0.256 312 Q C -0.918 175.136 176.000 0.090 0.000 0.951 312 Q CA -0.490 55.203 55.803 -0.184 0.000 0.890 312 Q CB 2.226 30.920 28.738 -0.074 0.000 1.279 312 Q HN 0.661 nan 8.270 nan 0.000 0.444 313 C N 2.264 121.822 119.300 0.430 0.000 3.233 313 C HA 0.487 4.947 4.460 -0.000 0.000 0.299 313 C C -1.167 174.128 174.990 0.508 0.000 1.060 313 C CA -0.336 58.913 59.018 0.386 0.000 1.382 313 C CB -0.524 27.375 27.740 0.264 0.000 1.828 313 C HN 0.787 nan 8.230 nan 0.000 0.530 314 S N 3.221 119.250 115.700 0.549 0.000 2.779 314 S HA 0.817 5.287 4.470 -0.000 0.000 0.293 314 S C -0.516 174.207 174.600 0.206 0.000 1.150 314 S CA -0.301 58.111 58.200 0.354 0.000 1.057 314 S CB 1.431 64.833 63.200 0.338 0.000 1.021 314 S HN 1.287 nan 8.310 nan 0.000 0.485 315 A N 2.744 125.530 122.820 -0.056 0.000 2.312 315 A HA 0.833 5.153 4.320 -0.000 0.000 0.328 315 A C -0.745 176.810 177.584 -0.048 0.000 1.158 315 A CA -0.770 51.022 52.037 -0.409 0.000 0.821 315 A CB 0.939 19.527 19.000 -0.686 0.000 1.170 315 A HN 1.019 nan 8.150 nan 0.000 0.490 316 L N 2.694 123.894 121.223 -0.037 0.000 2.305 316 L HA 0.653 4.993 4.340 -0.000 0.000 0.284 316 L C -1.138 175.804 176.870 0.119 0.000 1.013 316 L CA -0.132 54.786 54.840 0.131 0.000 0.819 316 L CB 0.951 43.111 42.059 0.167 0.000 1.227 316 L HN 0.603 nan 8.230 nan 0.000 0.417 317 L N 6.169 127.536 121.223 0.240 0.000 2.329 317 L HA 0.611 4.951 4.340 -0.000 0.000 0.279 317 L C -0.862 176.275 176.870 0.445 0.000 1.014 317 L CA -0.613 54.418 54.840 0.317 0.000 0.814 317 L CB 1.693 43.969 42.059 0.363 0.000 1.257 317 L HN 0.505 nan 8.230 nan 0.000 0.424 318 L N 2.256 123.665 121.223 0.311 0.000 2.381 318 L HA 0.384 4.724 4.340 -0.000 0.000 0.268 318 L C 0.688 177.346 176.870 -0.353 0.000 0.997 318 L CA -0.459 54.422 54.840 0.069 0.000 0.818 318 L CB 2.377 44.485 42.059 0.081 0.000 1.310 318 L HN 0.675 nan 8.230 nan 0.000 0.416 319 Q N 0.474 119.730 119.800 -0.907 0.000 2.230 319 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 319 Q C 0.112 175.794 176.000 -0.530 0.000 0.963 319 Q CA 0.582 55.666 55.803 -1.197 0.000 0.866 319 Q CB 0.317 28.238 28.738 -1.361 0.000 0.931 319 Q HN 0.702 nan 8.270 nan 0.000 0.452 320 D N -0.366 119.839 120.400 -0.324 0.000 2.525 320 D HA -0.088 4.552 4.640 -0.000 0.000 0.235 320 D C 0.436 176.671 176.300 -0.109 0.000 1.137 320 D CA 0.893 54.796 54.000 -0.161 0.000 0.868 320 D CB 0.980 41.756 40.800 -0.040 0.000 1.180 320 D HN 0.177 nan 8.370 nan 0.000 0.465 321 T N -0.998 113.506 114.554 -0.083 0.000 3.132 321 T HA 0.102 4.452 4.350 -0.000 0.000 0.274 321 T C 0.927 175.612 174.700 -0.025 0.000 1.011 321 T CA 0.089 62.159 62.100 -0.050 0.000 0.899 321 T CB -0.240 68.597 68.868 -0.053 0.000 1.089 321 T HN 0.245 nan 8.240 nan 0.000 0.543 322 S N 1.487 117.179 115.700 -0.014 0.000 2.583 322 S HA 0.225 4.695 4.470 -0.000 0.000 0.239 322 S C 0.629 175.238 174.600 0.015 0.000 0.966 322 S CA -0.538 57.663 58.200 0.003 0.000 0.973 322 S CB -0.728 62.479 63.200 0.011 0.000 0.794 322 S HN 0.421 nan 8.310 nan 0.000 0.463 323 N N 0.492 119.197 118.700 0.008 0.000 2.725 323 N HA -0.151 4.589 4.740 -0.000 0.000 0.249 323 N C 0.490 176.006 175.510 0.011 0.000 1.103 323 N CA 0.753 53.806 53.050 0.005 0.000 0.707 323 N CB -1.569 36.918 38.487 0.001 0.000 1.043 323 N HN 0.524 nan 8.380 nan 0.000 0.553 324 L N 0.226 121.469 121.223 0.035 0.000 2.043 324 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 324 L C 2.162 178.992 176.870 -0.066 0.000 1.075 324 L CA 1.737 56.609 54.840 0.054 0.000 0.752 324 L CB -0.286 41.854 42.059 0.134 0.000 0.891 324 L HN 0.347 nan 8.230 nan 0.000 0.432 325 L N -0.429 120.758 121.223 -0.059 0.000 2.012 325 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 325 L C 2.585 179.369 176.870 -0.143 0.000 1.073 325 L CA 1.957 56.724 54.840 -0.122 0.000 0.748 325 L CB -1.197 40.845 42.059 -0.028 0.000 0.891 325 L HN 0.408 nan 8.230 nan 0.000 0.431 326 K N -0.597 119.760 120.400 -0.072 0.000 2.097 326 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 326 K C 2.149 178.693 176.600 -0.094 0.000 1.050 326 K CA 0.933 57.188 56.287 -0.053 0.000 0.938 326 K CB -0.033 32.450 32.500 -0.028 0.000 0.718 326 K HN 0.307 nan 8.250 nan 0.000 0.442 327 R N 0.133 120.565 120.500 -0.112 0.000 2.092 327 R HA -0.101 4.239 4.340 -0.000 0.000 0.231 327 R C 2.598 178.640 176.300 -0.431 0.000 1.119 327 R CA 1.228 57.258 56.100 -0.117 0.000 0.970 327 R CB -0.526 29.805 30.300 0.052 0.000 0.864 327 R HN 0.277 nan 8.270 nan 0.000 0.440 328 C N -0.331 118.530 119.300 -0.733 0.000 2.486 328 C HA -0.030 4.430 4.460 -0.000 0.000 0.279 328 C C 2.004 176.627 174.990 -0.613 0.000 1.302 328 C CA 0.726 59.006 59.018 -1.229 0.000 1.720 328 C CB -0.575 26.501 27.740 -1.106 0.000 2.030 328 C HN 0.493 nan 8.230 nan 0.000 0.490 329 H N -0.814 118.131 119.070 -0.209 0.000 2.622 329 H HA 0.255 4.811 4.556 -0.000 0.000 0.269 329 H C 1.410 176.714 175.328 -0.039 0.000 0.977 329 H CA 0.090 56.095 56.048 -0.071 0.000 1.179 329 H CB 0.029 29.791 29.762 -0.000 0.000 1.458 329 H HN 0.514 nan 8.280 nan 0.000 0.531 330 G N 0.544 109.363 108.800 0.031 0.000 2.491 330 G HA2 0.177 4.137 3.960 -0.000 0.000 0.242 330 G HA3 0.177 4.137 3.960 -0.000 0.000 0.242 330 G C 0.095 175.016 174.900 0.035 0.000 1.266 330 G CA -0.400 44.719 45.100 0.031 0.000 0.844 330 G HN 0.162 nan 8.290 nan 0.000 0.571 342 F N 0.444 120.348 119.950 -0.076 0.000 2.692 342 F HA 0.283 4.810 4.527 -0.000 0.000 0.303 342 F C 0.037 175.900 175.800 0.105 0.000 1.114 342 F CA -0.432 57.581 58.000 0.021 0.000 1.361 342 F CB -0.206 38.838 39.000 0.072 0.000 1.063 342 F HN 0.388 nan 8.300 nan 0.000 0.550 343 Y N -2.415 117.692 120.300 -0.323 0.000 2.638 343 Y HA 0.520 5.070 4.550 -0.000 0.000 0.339 343 Y C -0.806 174.973 175.900 -0.202 0.000 1.084 343 Y CA -2.380 55.572 58.100 -0.246 0.000 1.068 343 Y CB 0.286 38.544 38.460 -0.337 0.000 1.294 343 Y HN -0.169 nan 8.280 nan 0.000 0.480 344 D N 1.598 121.976 120.400 -0.036 0.000 2.363 344 D HA 0.046 4.686 4.640 -0.000 0.000 0.263 344 D C 1.257 177.504 176.300 -0.089 0.000 1.258 344 D CA 0.263 54.209 54.000 -0.090 0.000 0.907 344 D CB 1.515 42.281 40.800 -0.056 0.000 1.107 344 D HN 0.721 nan 8.370 nan 0.000 0.495 345 V N 2.843 122.623 119.914 -0.224 0.000 3.078 345 V HA -0.089 4.031 4.120 -0.000 0.000 0.265 345 V C 1.986 178.043 176.094 -0.061 0.000 1.122 345 V CA 1.390 63.578 62.300 -0.187 0.000 1.141 345 V CB -0.878 30.814 31.823 -0.218 0.000 0.735 345 V HN 0.501 nan 8.190 nan 0.000 0.498 346 A N 0.638 123.428 122.820 -0.050 0.000 2.070 346 A HA -0.019 4.301 4.320 -0.000 0.000 0.220 346 A C 2.139 179.717 177.584 -0.010 0.000 1.159 346 A CA 1.937 53.955 52.037 -0.031 0.000 0.656 346 A CB -0.594 18.385 19.000 -0.034 0.000 0.800 346 A HN 0.613 nan 8.150 nan 0.000 0.453 347 L N -0.349 120.885 121.223 0.017 0.000 2.141 347 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 347 L C 0.091 176.993 176.870 0.054 0.000 1.094 347 L CA 0.249 55.106 54.840 0.028 0.000 0.763 347 L CB -0.440 41.612 42.059 -0.011 0.000 0.908 347 L HN 0.229 nan 8.230 nan 0.000 0.437 348 D N -0.376 120.062 120.400 0.063 0.000 2.382 348 D HA 0.037 4.677 4.640 -0.000 0.000 0.245 348 D C 1.183 177.443 176.300 -0.068 0.000 1.120 348 D CA 0.446 54.443 54.000 -0.005 0.000 0.890 348 D CB 1.396 42.172 40.800 -0.039 0.000 1.201 348 D HN 0.097 nan 8.370 nan 0.000 0.433 349 T N -2.208 112.282 114.554 -0.108 0.000 3.040 349 T HA 0.210 4.560 4.350 -0.000 0.000 0.266 349 T C 1.737 176.371 174.700 -0.110 0.000 1.005 349 T CA 0.005 62.063 62.100 -0.071 0.000 0.906 349 T CB 0.279 69.146 68.868 -0.002 0.000 1.082 349 T HN 0.315 nan 8.240 nan 0.000 0.531 350 G N 2.039 110.658 108.800 -0.302 0.000 2.469 350 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 350 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 350 G C 1.235 176.116 174.900 -0.032 0.000 1.136 350 G CA 0.933 45.878 45.100 -0.258 0.000 0.759 350 G HN 0.467 nan 8.290 nan 0.000 0.562 351 D N 0.367 120.736 120.400 -0.051 0.000 2.312 351 D HA -0.012 4.628 4.640 -0.000 0.000 0.211 351 D C 2.254 178.583 176.300 0.048 0.000 0.964 351 D CA 0.574 54.581 54.000 0.011 0.000 0.877 351 D CB -0.012 40.782 40.800 -0.011 0.000 0.924 351 D HN 0.352 nan 8.370 nan 0.000 0.515 352 K N 0.366 120.786 120.400 0.033 0.000 2.432 352 K HA 0.026 4.346 4.320 -0.000 0.000 0.196 352 K C 0.866 177.528 176.600 0.103 0.000 1.038 352 K CA 0.242 56.563 56.287 0.056 0.000 0.986 352 K CB 0.715 33.219 32.500 0.007 0.000 0.782 352 K HN 0.091 nan 8.250 nan 0.000 0.485 353 V N -2.818 117.126 119.914 0.052 0.000 3.001 353 V HA 0.250 4.370 4.120 -0.000 0.000 0.314 353 V C 0.802 176.911 176.094 0.024 0.000 1.099 353 V CA -0.992 61.281 62.300 -0.044 0.000 0.989 353 V CB 1.701 33.542 31.823 0.031 0.000 1.040 353 V HN -0.122 nan 8.190 nan 0.000 0.434 354 V N -1.492 118.460 119.914 0.063 0.000 3.608 354 V HA 0.251 4.371 4.120 -0.000 0.000 0.269 354 V C 0.910 177.060 176.094 0.093 0.000 1.245 354 V CA 0.330 62.663 62.300 0.055 0.000 1.138 354 V CB -1.190 30.626 31.823 -0.012 0.000 0.841 354 V HN 0.932 nan 8.190 nan 0.000 0.451 355 Q N -0.810 119.071 119.800 0.136 0.000 2.443 355 Q HA 0.278 4.618 4.340 -0.000 0.000 0.232 355 Q C 0.335 176.408 176.000 0.123 0.000 1.026 355 Q CA 0.299 56.171 55.803 0.114 0.000 0.924 355 Q CB 1.598 30.413 28.738 0.128 0.000 1.256 355 Q HN 0.541 nan 8.270 nan 0.000 0.519 356 C N -0.201 119.147 119.300 0.081 0.000 3.587 356 C HA 0.296 4.756 4.460 -0.000 0.000 0.192 356 C C 1.142 176.117 174.990 -0.025 0.000 2.277 356 C CA 0.060 59.109 59.018 0.052 0.000 1.183 356 C CB -0.693 27.027 27.740 -0.033 0.000 1.517 356 C HN 1.000 nan 8.230 nan 0.000 0.705 357 G N 0.753 109.486 108.800 -0.111 0.000 2.432 357 G HA2 0.429 4.389 3.960 -0.000 0.000 0.239 357 G HA3 0.429 4.389 3.960 -0.000 0.000 0.239 357 G C -0.440 174.467 174.900 0.012 0.000 1.291 357 G CA 0.225 45.269 45.100 -0.094 0.000 0.863 357 G HN 0.668 nan 8.290 nan 0.000 0.560 358 R N 1.323 121.847 120.500 0.040 0.000 2.548 358 R HA 0.297 4.637 4.340 -0.000 0.000 0.280 358 R C 0.080 176.391 176.300 0.019 0.000 1.061 358 R CA -0.841 55.293 56.100 0.058 0.000 0.915 358 R CB 1.509 31.878 30.300 0.115 0.000 1.210 358 R HN 0.619 nan 8.270 nan 0.000 0.442 359 R N 1.701 122.195 120.500 -0.010 0.000 2.734 359 R HA 0.128 4.468 4.340 -0.000 0.000 0.266 359 R C -0.355 175.881 176.300 -0.107 0.000 1.044 359 R CA -0.155 55.907 56.100 -0.063 0.000 1.128 359 R CB 0.800 31.059 30.300 -0.069 0.000 1.010 359 R HN 0.285 nan 8.270 nan 0.000 0.461 360 V N 3.627 123.421 119.914 -0.199 0.000 2.427 360 V HA -0.007 4.113 4.120 -0.000 0.000 0.268 360 V C 0.317 176.214 176.094 -0.327 0.000 1.046 360 V CA 0.595 62.699 62.300 -0.327 0.000 0.970 360 V CB 1.089 32.530 31.823 -0.636 0.000 1.001 360 V HN 0.777 nan 8.190 nan 0.000 0.476 361 D N 2.159 122.342 120.400 -0.363 0.000 2.474 361 D HA 0.039 4.679 4.640 -0.000 0.000 0.213 361 D C 1.709 177.710 176.300 -0.498 0.000 1.120 361 D CA 0.561 54.321 54.000 -0.400 0.000 0.836 361 D CB 0.567 41.119 40.800 -0.412 0.000 1.019 361 D HN 0.784 nan 8.370 nan 0.000 0.507 362 C N -0.214 118.786 119.300 -0.499 0.000 2.485 362 C HA 0.151 4.611 4.460 -0.000 0.000 0.278 362 C C 2.450 177.405 174.990 -0.059 0.000 1.356 362 C CA -0.218 58.595 59.018 -0.341 0.000 1.747 362 C CB -1.114 26.494 27.740 -0.221 0.000 2.001 362 C HN 0.166 nan 8.230 nan 0.000 0.501 363 L N 3.062 124.242 121.223 -0.072 0.000 2.056 363 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 363 L C 2.894 179.880 176.870 0.193 0.000 1.078 363 L CA 2.493 57.399 54.840 0.111 0.000 0.749 363 L CB -0.860 41.236 42.059 0.061 0.000 0.901 363 L HN 0.530 nan 8.230 nan 0.000 0.433 364 K N -0.803 119.644 120.400 0.078 0.000 2.063 364 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 364 K C 2.076 178.775 176.600 0.167 0.000 1.048 364 K CA 1.972 58.323 56.287 0.107 0.000 0.928 364 K CB -1.013 31.511 32.500 0.040 0.000 0.713 364 K HN 0.336 nan 8.250 nan 0.000 0.442 365 L N 0.560 121.887 121.223 0.174 0.000 2.044 365 L HA -0.017 4.322 4.340 -0.000 0.000 0.205 365 L C 2.328 179.420 176.870 0.370 0.000 1.075 365 L CA 1.529 56.522 54.840 0.255 0.000 0.747 365 L CB -0.814 41.399 42.059 0.256 0.000 0.903 365 L HN 0.427 nan 8.230 nan 0.000 0.435 366 W N -0.368 121.025 121.300 0.154 0.000 2.358 366 W HA -0.244 4.416 4.660 -0.000 0.000 0.303 366 W C 2.273 178.884 176.519 0.154 0.000 1.208 366 W CA 1.863 59.293 57.345 0.141 0.000 1.274 366 W CB -0.256 29.244 29.460 0.068 0.000 1.138 366 W HN 0.239 nan 8.180 nan 0.000 0.515 367 L N 0.847 122.269 121.223 0.333 0.000 2.056 367 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 367 L C 2.647 179.515 176.870 -0.003 0.000 1.078 367 L CA 2.416 57.315 54.840 0.098 0.000 0.749 367 L CB -0.936 41.287 42.059 0.273 0.000 0.901 367 L HN 0.222 nan 8.230 nan 0.000 0.433 368 M N -2.348 117.318 119.600 0.111 0.000 2.117 368 M HA -0.271 4.209 4.480 -0.000 0.000 0.262 368 M C 2.154 178.463 176.300 0.016 0.000 1.065 368 M CA 1.848 57.192 55.300 0.073 0.000 1.114 368 M CB -0.481 32.193 32.600 0.123 0.000 1.361 368 M HN 0.467 nan 8.290 nan 0.000 0.408 369 W N 1.708 122.936 121.300 -0.121 0.000 2.402 369 W HA -0.125 4.535 4.660 -0.000 0.000 0.286 369 W C 2.032 178.394 176.519 -0.261 0.000 1.221 369 W CA 1.168 58.427 57.345 -0.144 0.000 1.257 369 W CB -0.377 29.024 29.460 -0.098 0.000 1.120 369 W HN 0.189 nan 8.180 nan 0.000 0.551 370 K N 0.235 120.526 120.400 -0.181 0.000 2.057 370 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 370 K C 2.141 178.601 176.600 -0.234 0.000 1.049 370 K CA 1.648 57.731 56.287 -0.340 0.000 0.931 370 K CB -1.083 31.014 32.500 -0.673 0.000 0.714 370 K HN 0.113 nan 8.250 nan 0.000 0.440 371 A N 1.267 123.905 122.820 -0.304 0.000 1.898 371 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 371 A C 2.126 179.568 177.584 -0.236 0.000 1.181 371 A CA 1.253 53.043 52.037 -0.412 0.000 0.620 371 A CB -0.194 18.164 19.000 -1.069 0.000 0.819 371 A HN 0.226 nan 8.150 nan 0.000 0.442 372 Q N -1.144 118.561 119.800 -0.158 0.000 2.250 372 Q HA 0.232 4.572 4.340 -0.000 0.000 0.200 372 Q C 1.228 177.208 176.000 -0.034 0.000 0.941 372 Q CA 0.808 56.558 55.803 -0.088 0.000 0.872 372 Q CB -0.517 28.161 28.738 -0.100 0.000 0.965 372 Q HN 0.827 nan 8.270 nan 0.000 0.480 373 G N 1.720 110.541 108.800 0.035 0.000 2.888 373 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.441 373 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.441 373 G C 0.038 175.013 174.900 0.124 0.000 1.461 373 G CA 0.004 45.186 45.100 0.137 0.000 0.897 373 G HN 0.179 nan 8.290 nan 0.000 0.547 374 D N 0.162 120.719 120.400 0.260 0.000 2.158 374 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 374 D C 2.501 178.826 176.300 0.043 0.000 0.995 374 D CA 1.903 56.014 54.000 0.186 0.000 0.846 374 D CB -0.090 40.857 40.800 0.245 0.000 0.941 374 D HN 0.673 nan 8.370 nan 0.000 0.456 375 Q N 0.022 119.848 119.800 0.044 0.000 2.084 375 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 375 Q C 2.360 178.356 176.000 -0.006 0.000 0.978 375 Q CA 1.463 57.276 55.803 0.018 0.000 0.844 375 Q CB -0.322 28.427 28.738 0.018 0.000 0.898 375 Q HN 0.325 nan 8.270 nan 0.000 0.426 376 G N 0.649 109.437 108.800 -0.021 0.000 2.402 376 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 376 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 376 G C 1.395 176.262 174.900 -0.055 0.000 1.162 376 G CA 0.407 45.487 45.100 -0.034 0.000 0.777 376 G HN 0.159 nan 8.290 nan 0.000 0.539 377 L N 0.193 121.345 121.223 -0.118 0.000 2.093 377 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 377 L C 2.736 179.564 176.870 -0.069 0.000 1.085 377 L CA 1.490 56.236 54.840 -0.156 0.000 0.755 377 L CB -0.410 41.420 42.059 -0.381 0.000 0.904 377 L HN 0.372 nan 8.230 nan 0.000 0.435 378 E N 0.761 120.936 120.200 -0.043 0.000 2.077 378 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 378 E C 2.347 178.961 176.600 0.024 0.000 0.989 378 E CA 1.209 57.610 56.400 0.002 0.000 0.800 378 E CB 0.047 29.751 29.700 0.007 0.000 0.746 378 E HN 0.272 nan 8.360 nan 0.000 0.452 379 R N 0.281 120.790 120.500 0.014 0.000 2.091 379 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 379 R C 2.499 178.825 176.300 0.044 0.000 1.136 379 R CA 1.733 57.849 56.100 0.026 0.000 0.959 379 R CB -0.023 30.285 30.300 0.014 0.000 0.856 379 R HN 0.102 nan 8.270 nan 0.000 0.437 380 R N -0.053 120.468 120.500 0.034 0.000 2.073 380 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 380 R C 2.348 178.701 176.300 0.088 0.000 1.134 380 R CA 1.869 57.999 56.100 0.049 0.000 0.952 380 R CB -0.411 29.908 30.300 0.033 0.000 0.850 380 R HN 0.265 nan 8.270 nan 0.000 0.433 381 I N 1.009 121.640 120.570 0.102 0.000 2.163 381 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 381 I C 1.605 177.889 176.117 0.279 0.000 1.085 381 I CA 1.341 62.751 61.300 0.183 0.000 1.347 381 I CB -0.299 37.804 38.000 0.170 0.000 1.044 381 I HN 0.109 nan 8.210 nan 0.000 0.408 382 D N 0.100 120.624 120.400 0.206 0.000 2.144 382 D HA -0.227 4.413 4.640 -0.000 0.000 0.200 382 D C 2.093 178.525 176.300 0.220 0.000 0.978 382 D CA 1.066 55.206 54.000 0.234 0.000 0.833 382 D CB -0.234 40.647 40.800 0.135 0.000 0.961 382 D HN 0.400 nan 8.370 nan 0.000 0.470 383 Q N 0.252 120.139 119.800 0.144 0.000 2.119 383 Q HA -0.070 4.270 4.340 -0.000 0.000 0.201 383 Q C 1.981 178.045 176.000 0.108 0.000 0.972 383 Q CA 1.442 57.307 55.803 0.104 0.000 0.847 383 Q CB -0.025 28.750 28.738 0.061 0.000 0.903 383 Q HN 0.197 nan 8.270 nan 0.000 0.433 384 A N -0.142 122.747 122.820 0.114 0.000 1.902 384 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 384 A C 1.750 179.344 177.584 0.017 0.000 1.181 384 A CA 1.191 53.258 52.037 0.049 0.000 0.623 384 A CB -0.898 18.106 19.000 0.006 0.000 0.818 384 A HN 0.511 nan 8.150 nan 0.000 0.443 385 F N -0.283 119.645 119.950 -0.038 0.000 2.134 385 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 385 F C 2.459 178.266 175.800 0.011 0.000 1.097 385 F CA 1.592 59.547 58.000 -0.076 0.000 1.264 385 F CB -0.346 38.481 39.000 -0.288 0.000 1.001 385 F HN 0.036 nan 8.300 nan 0.000 0.479 386 V N 0.257 120.309 119.914 0.231 0.000 2.343 386 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 386 V C 2.274 178.444 176.094 0.127 0.000 1.051 386 V CA 1.718 64.115 62.300 0.161 0.000 1.036 386 V CB -0.617 31.277 31.823 0.117 0.000 0.654 386 V HN 0.311 nan 8.190 nan 0.000 0.451 387 L N -0.228 121.047 121.223 0.086 0.000 2.156 387 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 387 L C 2.684 179.613 176.870 0.100 0.000 1.095 387 L CA 1.259 56.146 54.840 0.078 0.000 0.770 387 L CB -0.731 41.350 42.059 0.037 0.000 0.914 387 L HN 0.351 nan 8.230 nan 0.000 0.439 388 A N 0.391 123.236 122.820 0.042 0.000 1.902 388 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 388 A C 2.373 179.975 177.584 0.030 0.000 1.181 388 A CA 1.521 53.558 52.037 -0.001 0.000 0.623 388 A CB -0.419 18.531 19.000 -0.083 0.000 0.818 388 A HN 0.301 nan 8.150 nan 0.000 0.443 389 R N -2.253 118.294 120.500 0.077 0.000 2.092 389 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 389 R C 2.123 178.467 176.300 0.073 0.000 1.119 389 R CA 1.522 57.670 56.100 0.079 0.000 0.970 389 R CB -0.516 29.856 30.300 0.119 0.000 0.864 389 R HN 0.706 nan 8.270 nan 0.000 0.440 390 Y N 1.208 121.498 120.300 -0.016 0.000 2.128 390 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 390 Y C 2.015 177.865 175.900 -0.083 0.000 1.154 390 Y CA 1.511 59.590 58.100 -0.036 0.000 1.149 390 Y CB -0.296 38.150 38.460 -0.023 0.000 0.976 390 Y HN 0.012 nan 8.280 nan 0.000 0.505 391 L N -0.404 120.820 121.223 0.002 0.000 2.042 391 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 391 L C 2.259 178.957 176.870 -0.286 0.000 1.076 391 L CA 1.777 56.511 54.840 -0.177 0.000 0.749 391 L CB -1.045 40.936 42.059 -0.131 0.000 0.893 391 L HN 0.187 nan 8.230 nan 0.000 0.432 392 V N -0.274 119.529 119.914 -0.185 0.000 2.295 392 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 392 V C 2.672 178.654 176.094 -0.187 0.000 1.049 392 V CA 1.827 64.026 62.300 -0.168 0.000 1.024 392 V CB -0.695 31.083 31.823 -0.074 0.000 0.648 392 V HN 0.449 nan 8.190 nan 0.000 0.447 393 E N -0.205 119.887 120.200 -0.181 0.000 2.077 393 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 393 E C 2.303 178.748 176.600 -0.258 0.000 0.989 393 E CA 0.945 57.237 56.400 -0.179 0.000 0.800 393 E CB -0.256 29.357 29.700 -0.145 0.000 0.746 393 E HN 0.577 nan 8.360 nan 0.000 0.452 394 E N 0.444 120.400 120.200 -0.406 0.000 2.106 394 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 394 E C 2.055 178.430 176.600 -0.376 0.000 0.984 394 E CA 0.431 56.572 56.400 -0.431 0.000 0.806 394 E CB -0.328 29.008 29.700 -0.607 0.000 0.750 394 E HN 0.275 nan 8.360 nan 0.000 0.458 395 M N 0.825 120.155 119.600 -0.450 0.000 2.149 395 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 395 M C 1.751 177.904 176.300 -0.244 0.000 1.064 395 M CA 1.582 56.548 55.300 -0.556 0.000 1.102 395 M CB 0.013 32.241 32.600 -0.621 0.000 1.369 395 M HN -0.109 nan 8.290 nan 0.000 0.408 396 K N 0.070 120.375 120.400 -0.159 0.000 2.280 396 K HA -0.128 4.192 4.320 -0.000 0.000 0.202 396 K C 1.600 178.177 176.600 -0.037 0.000 1.047 396 K CA 1.164 57.417 56.287 -0.057 0.000 0.942 396 K CB 0.006 32.474 32.500 -0.054 0.000 0.739 396 K HN 0.448 nan 8.250 nan 0.000 0.457 397 K N 0.269 120.622 120.400 -0.077 0.000 2.418 397 K HA 0.034 4.353 4.320 -0.000 0.000 0.195 397 K C 0.460 177.055 176.600 -0.009 0.000 1.035 397 K CA 0.329 56.586 56.287 -0.050 0.000 1.003 397 K CB 0.313 32.764 32.500 -0.082 0.000 0.793 397 K HN 0.018 nan 8.250 nan 0.000 0.494 398 R N 0.916 121.430 120.500 0.024 0.000 2.720 398 R HA 0.199 4.539 4.340 -0.000 0.000 0.272 398 R C -0.285 176.127 176.300 0.187 0.000 0.991 398 R CA -0.702 55.473 56.100 0.125 0.000 1.010 398 R CB 1.133 31.554 30.300 0.202 0.000 1.141 398 R HN -0.061 nan 8.270 nan 0.000 0.494 399 E N 0.352 120.640 120.200 0.146 0.000 2.331 399 E HA 0.217 4.566 4.350 -0.000 0.000 0.272 399 E C 0.673 177.284 176.600 0.017 0.000 1.036 399 E CA 0.327 56.771 56.400 0.074 0.000 0.864 399 E CB 1.490 31.203 29.700 0.021 0.000 1.035 399 E HN 0.870 nan 8.360 nan 0.000 0.408 400 G N 2.413 111.149 108.800 -0.106 0.000 2.144 400 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 400 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 400 G C -0.315 174.208 174.900 -0.628 0.000 0.988 400 G CA -0.430 44.393 45.100 -0.461 0.000 0.659 400 G HN 0.318 nan 8.290 nan 0.000 0.522 401 F N 0.768 120.727 119.950 0.017 0.000 2.467 401 F HA 0.619 5.146 4.527 -0.000 0.000 0.336 401 F C 0.291 176.187 175.800 0.160 0.000 1.123 401 F CA -0.938 57.147 58.000 0.142 0.000 0.964 401 F CB 2.039 41.076 39.000 0.061 0.000 1.136 401 F HN 0.073 nan 8.300 nan 0.000 0.447 402 E N 4.215 124.679 120.200 0.439 0.000 2.145 402 E HA 0.338 4.688 4.350 -0.000 0.000 0.262 402 E C -1.436 175.451 176.600 0.479 0.000 0.883 402 E CA -1.041 55.603 56.400 0.408 0.000 0.748 402 E CB 1.378 31.325 29.700 0.411 0.000 1.140 402 E HN 0.583 nan 8.360 nan 0.000 0.417 403 L N 5.415 126.822 121.223 0.306 0.000 2.410 403 L HA 0.039 4.379 4.340 -0.000 0.000 0.273 403 L C 0.791 177.751 176.870 0.150 0.000 1.152 403 L CA 0.457 55.420 54.840 0.206 0.000 0.855 403 L CB 1.401 43.526 42.059 0.110 0.000 1.129 403 L HN 0.588 nan 8.230 nan 0.000 0.463 404 V N 4.932 124.800 119.914 -0.076 0.000 2.307 404 V HA -0.115 4.004 4.120 -0.000 0.000 0.245 404 V C 0.886 176.931 176.094 -0.082 0.000 1.045 404 V CA 2.209 64.369 62.300 -0.234 0.000 1.024 404 V CB -0.755 30.574 31.823 -0.823 0.000 0.651 404 V HN 0.895 nan 8.190 nan 0.000 0.449 405 M N -2.819 116.741 119.600 -0.067 0.000 2.790 405 M HA 0.514 4.994 4.480 -0.000 0.000 0.272 405 M C -1.631 174.675 176.300 0.009 0.000 1.168 405 M CA -0.807 54.486 55.300 -0.012 0.000 0.829 405 M CB 1.919 34.506 32.600 -0.021 0.000 1.675 405 M HN -0.261 nan 8.290 nan 0.000 0.505 406 E N 3.281 123.499 120.200 0.030 0.000 2.366 406 E HA 0.302 4.652 4.350 -0.000 0.000 0.266 406 E C -2.350 174.283 176.600 0.056 0.000 1.015 406 E CA -1.026 55.398 56.400 0.041 0.000 0.906 406 E CB 0.435 30.163 29.700 0.047 0.000 0.979 406 E HN 0.386 nan 8.360 nan 0.000 0.443 407 P HA 0.077 nan 4.420 nan 0.000 0.276 407 P C 0.227 177.606 177.300 0.133 0.000 1.230 407 P CA -0.014 63.139 63.100 0.088 0.000 0.776 407 P CB 1.100 32.838 31.700 0.063 0.000 0.888 408 E N 1.463 121.772 120.200 0.182 0.000 2.371 408 E HA -0.040 4.310 4.350 -0.000 0.000 0.194 408 E C 0.084 176.867 176.600 0.305 0.000 1.012 408 E CA 0.449 56.981 56.400 0.220 0.000 0.860 408 E CB 0.082 29.932 29.700 0.251 0.000 0.811 408 E HN 0.373 nan 8.360 nan 0.000 0.502 409 F N -0.954 119.022 119.950 0.042 0.000 3.345 409 F HA 0.217 4.744 4.527 -0.000 0.000 0.253 409 F C 0.426 175.958 175.800 -0.448 0.000 1.576 409 F CA -0.364 57.516 58.000 -0.201 0.000 0.970 409 F CB 0.469 39.499 39.000 0.050 0.000 1.808 409 F HN -0.230 nan 8.300 nan 0.000 0.354 410 V N 0.262 119.819 119.914 -0.594 0.000 3.319 410 V HA 0.441 4.561 4.120 -0.000 0.000 0.317 410 V C -1.044 174.927 176.094 -0.206 0.000 1.411 410 V CA -0.239 61.759 62.300 -0.502 0.000 1.112 410 V CB -0.717 30.713 31.823 -0.656 0.000 1.031 410 V HN 0.461 nan 8.190 nan 0.000 0.448 411 N N 1.266 119.918 118.700 -0.079 0.000 2.420 411 N HA 0.514 5.254 4.740 -0.000 0.000 0.249 411 N C -0.760 174.776 175.510 0.044 0.000 1.033 411 N CA -0.092 52.978 53.050 0.034 0.000 0.944 411 N CB 1.744 40.303 38.487 0.119 0.000 1.113 411 N HN 0.253 nan 8.380 nan 0.000 0.502 412 V N 2.661 122.609 119.914 0.057 0.000 2.328 412 V HA 0.321 4.441 4.120 -0.000 0.000 0.278 412 V C -0.279 175.953 176.094 0.230 0.000 1.021 412 V CA -0.703 61.662 62.300 0.108 0.000 0.838 412 V CB 0.629 32.495 31.823 0.071 0.000 0.999 412 V HN 0.695 nan 8.190 nan 0.000 0.447 413 C N 6.851 126.242 119.300 0.152 0.000 2.322 413 C HA 0.907 5.367 4.460 -0.000 0.000 0.324 413 C C -0.269 174.714 174.990 -0.011 0.000 1.284 413 C CA -0.876 58.153 59.018 0.017 0.000 1.606 413 C CB -0.291 27.328 27.740 -0.202 0.000 2.251 413 C HN 0.875 nan 8.230 nan 0.000 0.502 414 F N -0.164 119.692 119.950 -0.156 0.000 2.719 414 F HA 0.682 5.209 4.527 -0.000 0.000 0.309 414 F C -1.311 174.474 175.800 -0.024 0.000 1.138 414 F CA -1.501 56.440 58.000 -0.098 0.000 0.943 414 F CB 0.752 39.847 39.000 0.158 0.000 1.304 414 F HN 0.494 nan 8.300 nan 0.000 0.445 415 W N 2.103 123.593 121.300 0.316 0.000 2.449 415 W HA 0.462 5.122 4.660 -0.000 0.000 0.331 415 W C -1.144 175.636 176.519 0.435 0.000 1.119 415 W CA -0.898 56.597 57.345 0.251 0.000 1.240 415 W CB 1.738 31.262 29.460 0.107 0.000 1.251 415 W HN 0.559 nan 8.180 nan 0.000 0.576 416 F N 2.653 122.870 119.950 0.444 0.000 2.405 416 F HA 0.431 4.958 4.527 -0.000 0.000 0.355 416 F C -0.433 175.400 175.800 0.056 0.000 1.121 416 F CA -0.625 57.453 58.000 0.131 0.000 1.112 416 F CB 0.697 39.770 39.000 0.122 0.000 1.126 416 F HN -0.107 nan 8.300 nan 0.000 0.481 417 V N 8.967 128.458 119.914 -0.705 0.000 2.333 417 V HA 0.329 4.449 4.120 -0.000 0.000 0.274 417 V C -1.982 173.630 176.094 -0.804 0.000 1.028 417 V CA -1.708 60.294 62.300 -0.496 0.000 0.851 417 V CB 0.620 32.302 31.823 -0.235 0.000 1.000 417 V HN 0.623 nan 8.190 nan 0.000 0.456 418 P HA 0.264 nan 4.420 nan 0.000 0.274 418 P C -2.293 174.918 177.300 -0.149 0.000 1.246 418 P CA -1.879 61.089 63.100 -0.221 0.000 0.795 418 P CB 0.524 32.266 31.700 0.071 0.000 1.006 419 P HA -0.226 nan 4.420 nan 0.000 0.217 419 P C 1.773 179.056 177.300 -0.029 0.000 1.151 419 P CA 2.272 65.347 63.100 -0.042 0.000 0.849 419 P CB -0.440 31.259 31.700 -0.001 0.000 0.787 420 S N -1.455 114.236 115.700 -0.015 0.000 2.442 420 S HA -0.097 4.373 4.470 -0.000 0.000 0.236 420 S C 1.662 176.261 174.600 -0.002 0.000 1.007 420 S CA 1.071 59.266 58.200 -0.008 0.000 0.965 420 S CB -1.262 61.936 63.200 -0.004 0.000 0.773 420 S HN 0.124 nan 8.310 nan 0.000 0.504 421 L N -0.085 121.136 121.223 -0.004 0.000 2.664 421 L HA 0.323 4.663 4.340 -0.000 0.000 0.233 421 L C 0.796 177.722 176.870 0.094 0.000 1.113 421 L CA -0.315 54.562 54.840 0.060 0.000 0.896 421 L CB 0.066 42.138 42.059 0.021 0.000 1.163 421 L HN 0.077 nan 8.230 nan 0.000 0.497 422 R N 0.453 120.955 120.500 0.004 0.000 2.489 422 R HA 0.254 4.594 4.340 -0.000 0.000 0.287 422 R C 1.172 177.453 176.300 -0.033 0.000 1.053 422 R CA 0.839 56.926 56.100 -0.021 0.000 1.036 422 R CB 0.317 30.583 30.300 -0.057 0.000 0.966 422 R HN 0.259 nan 8.270 nan 0.000 0.432 423 G N 2.442 111.202 108.800 -0.067 0.000 2.199 423 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.254 423 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.254 423 G C 0.478 175.292 174.900 -0.144 0.000 0.982 423 G CA 0.111 45.152 45.100 -0.098 0.000 0.632 423 G HN 0.597 nan 8.290 nan 0.000 0.529 424 K N -0.087 120.220 120.400 -0.154 0.000 2.493 424 K HA 0.253 4.573 4.320 -0.000 0.000 0.207 424 K C 1.746 178.047 176.600 -0.498 0.000 1.033 424 K CA 0.028 56.214 56.287 -0.168 0.000 1.161 424 K CB 0.337 32.847 32.500 0.017 0.000 0.873 424 K HN 0.283 nan 8.250 nan 0.000 0.491 425 Q N 0.972 120.274 119.800 -0.829 0.000 2.226 425 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 425 Q C 0.972 176.545 176.000 -0.710 0.000 0.975 425 Q CA 1.384 56.378 55.803 -1.349 0.000 0.866 425 Q CB 0.094 28.358 28.738 -0.791 0.000 0.915 425 Q HN 0.202 nan 8.270 nan 0.000 0.440 426 E N -0.554 119.407 120.200 -0.398 0.000 2.479 426 E HA 0.126 4.475 4.350 -0.000 0.000 0.193 426 E C -0.330 176.168 176.600 -0.169 0.000 1.049 426 E CA -0.017 56.240 56.400 -0.237 0.000 0.870 426 E CB 0.398 29.998 29.700 -0.166 0.000 0.944 426 E HN 0.052 nan 8.360 nan 0.000 0.492 427 S N 2.175 117.780 115.700 -0.159 0.000 2.568 427 S HA 0.024 4.494 4.470 -0.000 0.000 0.282 427 S C -1.559 173.004 174.600 -0.061 0.000 1.338 427 S CA -0.837 57.318 58.200 -0.075 0.000 1.045 427 S CB 0.659 63.846 63.200 -0.022 0.000 0.873 427 S HN 0.156 nan 8.310 nan 0.000 0.516 428 P HA -0.044 nan 4.420 nan 0.000 0.229 428 P C 0.306 177.587 177.300 -0.032 0.000 1.160 428 P CA 0.911 63.985 63.100 -0.043 0.000 0.777 428 P CB 0.000 31.682 31.700 -0.031 0.000 0.814 429 D N -2.337 118.056 120.400 -0.012 0.000 2.501 429 D HA -0.057 4.583 4.640 -0.000 0.000 0.226 429 D C 1.430 177.730 176.300 0.001 0.000 1.198 429 D CA -0.810 53.185 54.000 -0.008 0.000 0.830 429 D CB -0.966 39.828 40.800 -0.009 0.000 1.014 429 D HN 0.043 nan 8.370 nan 0.000 0.496 430 Y N 1.745 121.951 120.300 -0.156 0.000 2.097 430 Y HA -0.229 4.321 4.550 -0.000 0.000 0.282 430 Y C 1.852 177.684 175.900 -0.113 0.000 1.152 430 Y CA 2.063 60.060 58.100 -0.172 0.000 1.136 430 Y CB -0.372 37.926 38.460 -0.270 0.000 0.975 430 Y HN 0.139 nan 8.280 nan 0.000 0.498 431 H N -1.055 117.936 119.070 -0.132 0.000 2.389 431 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 431 H C 2.221 177.429 175.328 -0.201 0.000 1.081 431 H CA 0.984 56.882 56.048 -0.251 0.000 1.345 431 H CB 0.024 29.719 29.762 -0.111 0.000 1.393 431 H HN 0.476 nan 8.280 nan 0.000 0.520 432 E N 1.290 121.489 120.200 -0.001 0.000 2.077 432 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 432 E C 2.173 178.728 176.600 -0.074 0.000 0.989 432 E CA 0.786 57.172 56.400 -0.024 0.000 0.800 432 E CB 0.170 29.864 29.700 -0.010 0.000 0.746 432 E HN 0.402 nan 8.360 nan 0.000 0.452 433 R N -0.029 120.403 120.500 -0.113 0.000 2.075 433 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 433 R C 2.523 178.714 176.300 -0.181 0.000 1.126 433 R CA 1.050 57.072 56.100 -0.130 0.000 0.963 433 R CB -0.353 29.873 30.300 -0.124 0.000 0.858 433 R HN 0.213 nan 8.270 nan 0.000 0.435 434 L N 0.602 121.643 121.223 -0.303 0.000 2.083 434 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 434 L C 2.224 179.003 176.870 -0.152 0.000 1.083 434 L CA 1.745 56.391 54.840 -0.323 0.000 0.752 434 L CB -0.711 40.987 42.059 -0.602 0.000 0.899 434 L HN 0.009 nan 8.230 nan 0.000 0.433 435 S N -0.777 114.855 115.700 -0.113 0.000 2.419 435 S HA -0.213 4.256 4.470 -0.000 0.000 0.235 435 S C 1.891 176.421 174.600 -0.117 0.000 1.019 435 S CA 1.403 59.575 58.200 -0.047 0.000 0.982 435 S CB -0.265 62.926 63.200 -0.015 0.000 0.789 435 S HN 0.582 nan 8.310 nan 0.000 0.490 436 K N 0.304 120.633 120.400 -0.117 0.000 2.486 436 K HA 0.105 4.425 4.320 -0.000 0.000 0.194 436 K C 1.696 178.204 176.600 -0.154 0.000 1.033 436 K CA 0.454 56.662 56.287 -0.131 0.000 1.004 436 K CB 0.095 32.541 32.500 -0.090 0.000 0.798 436 K HN 0.247 nan 8.250 nan 0.000 0.495 437 V N 1.206 121.038 119.914 -0.136 0.000 2.323 437 V HA -0.194 3.926 4.120 -0.000 0.000 0.244 437 V C 2.355 178.348 176.094 -0.168 0.000 1.041 437 V CA 1.978 64.228 62.300 -0.084 0.000 1.025 437 V CB -0.506 31.329 31.823 0.020 0.000 0.656 437 V HN 0.313 nan 8.190 nan 0.000 0.451 438 A N 0.699 123.291 122.820 -0.380 0.000 1.883 438 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 438 A C 0.542 177.680 177.584 -0.743 0.000 1.186 438 A CA 2.146 53.731 52.037 -0.754 0.000 0.624 438 A CB -1.952 16.220 19.000 -1.381 0.000 0.822 438 A HN 0.525 nan 8.150 nan 0.000 0.444 439 P HA -0.132 nan 4.420 nan 0.000 0.216 439 P C 1.609 178.793 177.300 -0.193 0.000 1.153 439 P CA 1.542 64.324 63.100 -0.530 0.000 0.858 439 P CB -0.142 31.346 31.700 -0.354 0.000 0.789 440 V N -0.776 119.044 119.914 -0.157 0.000 2.307 440 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 440 V C 2.453 178.521 176.094 -0.043 0.000 1.045 440 V CA 1.579 63.831 62.300 -0.080 0.000 1.024 440 V CB -1.269 30.519 31.823 -0.058 0.000 0.651 440 V HN 0.063 nan 8.190 nan 0.000 0.449 441 L N -0.084 121.135 121.223 -0.006 0.000 2.083 441 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 441 L C 2.611 179.525 176.870 0.074 0.000 1.083 441 L CA 1.579 56.449 54.840 0.050 0.000 0.752 441 L CB -0.548 41.612 42.059 0.169 0.000 0.899 441 L HN 0.294 nan 8.230 nan 0.000 0.433 442 K N 0.766 121.240 120.400 0.123 0.000 2.026 442 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 442 K C 1.963 178.568 176.600 0.010 0.000 1.048 442 K CA 1.660 58.035 56.287 0.148 0.000 0.929 442 K CB -0.211 32.466 32.500 0.295 0.000 0.713 442 K HN 0.266 nan 8.250 nan 0.000 0.439 443 E N 0.057 120.228 120.200 -0.047 0.000 2.085 443 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 443 E C 2.011 178.526 176.600 -0.141 0.000 0.994 443 E CA 1.265 57.575 56.400 -0.150 0.000 0.801 443 E CB 0.005 29.619 29.700 -0.143 0.000 0.743 443 E HN 0.256 nan 8.360 nan 0.000 0.453 444 R N 0.064 120.517 120.500 -0.078 0.000 2.073 444 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 444 R C 2.723 178.996 176.300 -0.044 0.000 1.134 444 R CA 2.080 58.144 56.100 -0.060 0.000 0.952 444 R CB -0.459 29.814 30.300 -0.045 0.000 0.850 444 R HN 0.432 nan 8.270 nan 0.000 0.433 445 M N -0.514 119.068 119.600 -0.029 0.000 2.175 445 M HA -0.050 4.430 4.480 -0.000 0.000 0.264 445 M C 1.915 178.217 176.300 0.005 0.000 1.063 445 M CA 1.596 56.895 55.300 -0.003 0.000 1.119 445 M CB -0.337 32.267 32.600 0.006 0.000 1.377 445 M HN -0.131 nan 8.290 nan 0.000 0.415 446 V N 1.513 121.407 119.914 -0.032 0.000 2.307 446 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 446 V C 2.470 178.556 176.094 -0.012 0.000 1.045 446 V CA 2.035 64.314 62.300 -0.034 0.000 1.024 446 V CB -0.760 30.975 31.823 -0.146 0.000 0.651 446 V HN 0.536 nan 8.190 nan 0.000 0.449 447 K N -0.359 119.985 120.400 -0.093 0.000 2.211 447 K HA -0.177 4.143 4.320 -0.000 0.000 0.203 447 K C 2.148 178.785 176.600 0.062 0.000 1.050 447 K CA 1.272 57.550 56.287 -0.014 0.000 0.945 447 K CB -0.054 32.393 32.500 -0.088 0.000 0.732 447 K HN 0.533 nan 8.250 nan 0.000 0.451 448 E N -0.031 120.191 120.200 0.037 0.000 2.158 448 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 448 E C 0.781 177.423 176.600 0.069 0.000 0.982 448 E CA 0.787 57.219 56.400 0.053 0.000 0.823 448 E CB 0.187 29.911 29.700 0.040 0.000 0.766 448 E HN 0.370 nan 8.360 nan 0.000 0.468 449 G N 0.531 109.372 108.800 0.068 0.000 2.136 449 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.242 449 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.242 449 G C 0.868 175.782 174.900 0.024 0.000 0.989 449 G CA 0.808 45.942 45.100 0.056 0.000 0.682 449 G HN 0.445 nan 8.290 nan 0.000 0.522 450 S N -1.609 114.131 115.700 0.066 0.000 2.486 450 S HA 0.651 5.121 4.470 -0.000 0.000 0.220 450 S C 0.689 175.374 174.600 0.142 0.000 1.011 450 S CA 1.195 59.474 58.200 0.131 0.000 0.921 450 S CB 0.503 63.847 63.200 0.241 0.000 0.785 450 S HN 1.315 nan 8.310 nan 0.000 0.517 451 M N 0.267 119.928 119.600 0.101 0.000 2.755 451 M HA 0.463 4.943 4.480 -0.000 0.000 0.276 451 M C -2.450 173.906 176.300 0.093 0.000 1.129 451 M CA -0.400 54.983 55.300 0.139 0.000 0.832 451 M CB 1.752 34.521 32.600 0.283 0.000 1.700 451 M HN 0.143 nan 8.290 nan 0.000 0.518 452 M N 4.477 124.132 119.600 0.092 0.000 2.213 452 M HA 0.580 5.060 4.480 -0.000 0.000 0.286 452 M C -1.607 174.702 176.300 0.015 0.000 1.008 452 M CA -0.402 54.920 55.300 0.036 0.000 0.937 452 M CB 2.173 34.785 32.600 0.021 0.000 1.600 452 M HN 0.508 nan 8.290 nan 0.000 0.450 453 I N 1.630 122.219 120.570 0.032 0.000 2.498 453 I HA 0.557 4.727 4.170 -0.000 0.000 0.290 453 I C 0.539 176.718 176.117 0.103 0.000 1.032 453 I CA -0.897 60.424 61.300 0.035 0.000 1.073 453 I CB 2.212 40.162 38.000 -0.084 0.000 1.251 453 I HN 0.764 nan 8.210 nan 0.000 0.426 454 G N 4.499 113.295 108.800 -0.006 0.000 2.503 454 G HA2 0.408 4.368 3.960 -0.000 0.000 0.257 454 G HA3 0.408 4.368 3.960 -0.000 0.000 0.257 454 G C -1.153 173.759 174.900 0.020 0.000 1.214 454 G CA 0.026 45.076 45.100 -0.084 0.000 0.839 454 G HN 0.647 nan 8.290 nan 0.000 0.559 455 Y N -0.364 119.843 120.300 -0.156 0.000 2.605 455 Y HA 0.805 5.355 4.550 -0.000 0.000 0.343 455 Y C -0.407 175.266 175.900 -0.378 0.000 1.036 455 Y CA -1.432 56.458 58.100 -0.348 0.000 1.065 455 Y CB 1.909 40.044 38.460 -0.541 0.000 1.288 455 Y HN 0.666 nan 8.280 nan 0.000 0.481 456 Q N 0.650 120.235 119.800 -0.358 0.000 2.594 456 Q HA 0.465 4.805 4.340 -0.000 0.000 0.278 456 Q C -3.562 172.117 176.000 -0.534 0.000 0.961 456 Q CA -1.815 53.764 55.803 -0.373 0.000 0.844 456 Q CB 2.507 31.023 28.738 -0.370 0.000 1.475 456 Q HN 0.529 nan 8.270 nan 0.000 0.389 457 P HA 0.428 nan 4.420 nan 0.000 0.279 457 P C -0.828 176.453 177.300 -0.031 0.000 1.276 457 P CA 0.017 63.030 63.100 -0.145 0.000 0.801 457 P CB 1.329 33.025 31.700 -0.008 0.000 1.127 458 H N -1.727 117.387 119.070 0.074 0.000 3.121 458 H HA 0.317 4.873 4.556 -0.000 0.000 0.337 458 H C 0.566 176.022 175.328 0.212 0.000 1.198 458 H CA 0.737 56.892 56.048 0.178 0.000 1.274 458 H CB 1.422 31.399 29.762 0.358 0.000 1.954 458 H HN 0.804 nan 8.280 nan 0.000 0.531 459 G N 2.190 110.933 108.800 -0.095 0.000 2.651 459 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.315 459 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.315 459 G C 1.125 176.080 174.900 0.092 0.000 1.258 459 G CA 1.808 46.934 45.100 0.044 0.000 1.002 459 G HN 1.095 nan 8.290 nan 0.000 0.551 460 T N -1.334 113.295 114.554 0.125 0.000 3.107 460 T HA 0.484 4.834 4.350 -0.000 0.000 0.249 460 T C 1.110 175.875 174.700 0.107 0.000 1.096 460 T CA 1.082 63.242 62.100 0.100 0.000 1.012 460 T CB 0.201 69.123 68.868 0.090 0.000 0.977 460 T HN 0.662 nan 8.240 nan 0.000 0.527 461 R N -0.314 120.284 120.500 0.163 0.000 2.902 461 R HA 0.692 5.032 4.340 -0.000 0.000 0.258 461 R C 0.661 177.114 176.300 0.255 0.000 1.071 461 R CA -0.798 55.397 56.100 0.158 0.000 1.024 461 R CB 1.498 31.885 30.300 0.145 0.000 1.184 461 R HN 0.289 nan 8.270 nan 0.000 0.492 462 G N -0.145 108.805 108.800 0.251 0.000 2.543 462 G HA2 0.108 4.068 3.960 -0.000 0.000 0.267 462 G HA3 0.108 4.068 3.960 -0.000 0.000 0.267 462 G C -0.631 174.447 174.900 0.297 0.000 1.406 462 G CA -0.845 44.380 45.100 0.209 0.000 1.048 462 G HN 0.608 nan 8.290 nan 0.000 0.548 463 N N 0.114 118.877 118.700 0.105 0.000 2.411 463 N HA 0.316 5.056 4.740 -0.000 0.000 0.265 463 N C -0.707 174.734 175.510 -0.114 0.000 1.266 463 N CA 0.439 53.435 53.050 -0.090 0.000 0.889 463 N CB 0.155 38.511 38.487 -0.218 0.000 1.069 463 N HN 0.418 nan 8.380 nan 0.000 0.476 464 F N 0.346 120.067 119.950 -0.381 0.000 2.593 464 F HA 0.648 5.175 4.527 -0.000 0.000 0.320 464 F C -0.784 174.638 175.800 -0.631 0.000 1.060 464 F CA -1.633 55.878 58.000 -0.814 0.000 0.940 464 F CB 0.585 38.719 39.000 -1.443 0.000 1.268 464 F HN 0.093 nan 8.300 nan 0.000 0.475 465 F N 1.609 121.330 119.950 -0.381 0.000 2.429 465 F HA 0.445 4.971 4.527 -0.000 0.000 0.348 465 F C 0.658 176.256 175.800 -0.337 0.000 1.109 465 F CA -0.317 57.411 58.000 -0.453 0.000 1.232 465 F CB 0.889 39.381 39.000 -0.846 0.000 1.157 465 F HN 0.535 nan 8.300 nan 0.000 0.564 466 R N 2.948 123.458 120.500 0.017 0.000 2.320 466 R HA 0.544 4.884 4.340 -0.000 0.000 0.319 466 R C -1.954 174.354 176.300 0.014 0.000 0.969 466 R CA -0.416 55.697 56.100 0.022 0.000 0.857 466 R CB 1.001 31.289 30.300 -0.019 0.000 1.160 466 R HN 0.539 nan 8.270 nan 0.000 0.491 467 V N 5.633 125.586 119.914 0.064 0.000 2.406 467 V HA 0.214 4.334 4.120 -0.000 0.000 0.272 467 V C -0.000 176.093 176.094 -0.000 0.000 1.043 467 V CA -0.561 61.736 62.300 -0.006 0.000 0.915 467 V CB 1.588 33.374 31.823 -0.061 0.000 0.988 467 V HN 0.469 nan 8.190 nan 0.000 0.466 468 V N 6.440 126.366 119.914 0.019 0.000 2.364 468 V HA 0.262 4.382 4.120 -0.000 0.000 0.272 468 V C 0.129 176.298 176.094 0.125 0.000 1.036 468 V CA -0.459 61.856 62.300 0.026 0.000 0.880 468 V CB 1.730 33.505 31.823 -0.081 0.000 0.991 468 V HN 0.614 nan 8.190 nan 0.000 0.460 469 V N 5.467 125.421 119.914 0.066 0.000 2.284 469 V HA 0.470 4.590 4.120 -0.000 0.000 0.260 469 V C 0.873 177.009 176.094 0.070 0.000 1.084 469 V CA 0.652 63.009 62.300 0.095 0.000 0.894 469 V CB 0.344 32.178 31.823 0.018 0.000 1.119 469 V HN 1.021 nan 8.190 nan 0.000 0.484 470 A N 3.611 126.509 122.820 0.130 0.000 2.141 470 A HA 0.233 4.553 4.320 -0.000 0.000 0.196 470 A C 1.055 178.713 177.584 0.123 0.000 1.502 470 A CA -0.107 52.014 52.037 0.139 0.000 1.075 470 A CB 0.076 19.212 19.000 0.227 0.000 1.217 470 A HN 0.572 nan 8.150 nan 0.000 0.477 471 N N 1.511 120.274 118.700 0.106 0.000 2.452 471 N HA 0.022 4.762 4.740 -0.000 0.000 0.266 471 N C 1.288 176.835 175.510 0.062 0.000 1.209 471 N CA 0.853 53.948 53.050 0.075 0.000 0.929 471 N CB 1.112 39.615 38.487 0.027 0.000 1.063 471 N HN 0.340 nan 8.380 nan 0.000 0.472 472 S N 2.839 118.573 115.700 0.057 0.000 2.469 472 S HA -0.103 4.367 4.470 -0.000 0.000 0.238 472 S C 1.572 176.185 174.600 0.022 0.000 0.998 472 S CA 0.803 59.029 58.200 0.043 0.000 0.957 472 S CB -0.086 63.139 63.200 0.043 0.000 0.764 472 S HN 0.578 nan 8.310 nan 0.000 0.514 473 A N 0.870 123.694 122.820 0.008 0.000 2.208 473 A HA 0.430 4.750 4.320 -0.000 0.000 0.209 473 A C 0.911 178.485 177.584 -0.015 0.000 1.161 473 A CA -0.172 51.855 52.037 -0.017 0.000 0.782 473 A CB -0.471 18.501 19.000 -0.046 0.000 0.816 473 A HN 0.566 nan 8.150 nan 0.000 0.477 474 L N 1.307 122.537 121.223 0.012 0.000 2.483 474 L HA 0.212 4.551 4.340 -0.000 0.000 0.276 474 L C 0.958 177.831 176.870 0.004 0.000 1.213 474 L CA 0.263 55.122 54.840 0.032 0.000 0.843 474 L CB 0.730 42.843 42.059 0.089 0.000 1.107 474 L HN 0.463 nan 8.230 nan 0.000 0.487 475 T N -2.313 112.238 114.554 -0.005 0.000 2.888 475 T HA 0.232 4.582 4.350 -0.000 0.000 0.288 475 T C 0.949 175.600 174.700 -0.081 0.000 1.063 475 T CA -0.892 61.179 62.100 -0.049 0.000 1.010 475 T CB 1.223 70.063 68.868 -0.046 0.000 1.214 475 T HN 0.569 nan 8.240 nan 0.000 0.533 476 C N 0.799 119.977 119.300 -0.203 0.000 2.403 476 C HA 0.035 4.495 4.460 -0.000 0.000 0.277 476 C C 3.261 178.220 174.990 -0.052 0.000 1.248 476 C CA 1.295 60.093 59.018 -0.366 0.000 1.762 476 C CB -1.879 25.481 27.740 -0.633 0.000 2.014 476 C HN 1.014 nan 8.230 nan 0.000 0.486 477 A N 0.669 123.484 122.820 -0.008 0.000 1.978 477 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 477 A C 1.791 179.454 177.584 0.132 0.000 1.170 477 A CA 2.132 54.212 52.037 0.072 0.000 0.636 477 A CB -0.520 18.506 19.000 0.044 0.000 0.810 477 A HN 0.606 nan 8.150 nan 0.000 0.448 478 D N -0.594 119.869 120.400 0.106 0.000 2.178 478 D HA -0.111 4.529 4.640 -0.000 0.000 0.202 478 D C 1.909 178.355 176.300 0.245 0.000 0.974 478 D CA 1.076 55.181 54.000 0.175 0.000 0.841 478 D CB -0.221 40.675 40.800 0.159 0.000 0.953 478 D HN 0.324 nan 8.370 nan 0.000 0.478 479 M N 0.791 120.501 119.600 0.184 0.000 2.200 479 M HA -0.071 4.409 4.480 -0.000 0.000 0.265 479 M C 1.439 177.811 176.300 0.120 0.000 1.066 479 M CA 0.978 56.365 55.300 0.145 0.000 1.127 479 M CB -0.735 32.015 32.600 0.251 0.000 1.379 479 M HN -0.091 nan 8.290 nan 0.000 0.420 480 D N 0.135 120.648 120.400 0.189 0.000 2.117 480 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 480 D C 1.848 178.210 176.300 0.104 0.000 0.987 480 D CA 1.073 55.143 54.000 0.117 0.000 0.829 480 D CB -0.586 40.301 40.800 0.145 0.000 0.961 480 D HN 0.313 nan 8.370 nan 0.000 0.460 481 F N 1.476 121.449 119.950 0.039 0.000 2.095 481 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 481 F C 2.265 178.078 175.800 0.022 0.000 1.104 481 F CA 1.100 59.126 58.000 0.042 0.000 1.232 481 F CB -0.320 38.724 39.000 0.074 0.000 0.987 481 F HN -0.086 nan 8.300 nan 0.000 0.475 482 L N 0.019 121.367 121.223 0.208 0.000 2.012 482 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 482 L C 2.257 179.057 176.870 -0.117 0.000 1.073 482 L CA 1.743 56.603 54.840 0.034 0.000 0.748 482 L CB -0.506 41.509 42.059 -0.073 0.000 0.891 482 L HN 0.273 nan 8.230 nan 0.000 0.431 483 L N -0.254 120.887 121.223 -0.137 0.000 2.056 483 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 483 L C 2.396 179.253 176.870 -0.022 0.000 1.078 483 L CA 1.096 55.856 54.840 -0.133 0.000 0.749 483 L CB -0.857 41.017 42.059 -0.308 0.000 0.901 483 L HN 0.368 nan 8.230 nan 0.000 0.433 484 N N 0.109 118.746 118.700 -0.104 0.000 2.166 484 N HA -0.234 4.506 4.740 -0.000 0.000 0.186 484 N C 1.776 177.165 175.510 -0.201 0.000 1.019 484 N CA 1.405 54.384 53.050 -0.118 0.000 0.856 484 N CB -0.135 38.268 38.487 -0.139 0.000 0.993 484 N HN 0.441 nan 8.380 nan 0.000 0.426 485 E N 0.779 120.759 120.200 -0.366 0.000 2.072 485 E HA -0.047 4.302 4.350 -0.000 0.000 0.191 485 E C 1.998 178.438 176.600 -0.267 0.000 0.985 485 E CA 0.504 56.670 56.400 -0.390 0.000 0.801 485 E CB -0.037 29.323 29.700 -0.566 0.000 0.750 485 E HN 0.241 nan 8.360 nan 0.000 0.452 486 L N 0.714 121.790 121.223 -0.245 0.000 2.046 486 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 486 L C 2.489 179.004 176.870 -0.592 0.000 1.077 486 L CA 1.469 56.057 54.840 -0.420 0.000 0.747 486 L CB -0.425 41.441 42.059 -0.322 0.000 0.896 486 L HN 0.214 nan 8.230 nan 0.000 0.432 487 E N -0.175 119.904 120.200 -0.201 0.000 2.058 487 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 487 E C 2.280 178.855 176.600 -0.042 0.000 0.997 487 E CA 1.262 57.667 56.400 0.009 0.000 0.801 487 E CB -0.117 29.679 29.700 0.160 0.000 0.746 487 E HN 0.326 nan 8.360 nan 0.000 0.450 488 R N 0.864 121.309 120.500 -0.090 0.000 2.073 488 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 488 R C 2.303 178.553 176.300 -0.084 0.000 1.134 488 R CA 1.081 57.137 56.100 -0.073 0.000 0.952 488 R CB -0.177 30.067 30.300 -0.093 0.000 0.850 488 R HN 0.157 nan 8.270 nan 0.000 0.433 489 L N -0.528 120.609 121.223 -0.143 0.000 2.275 489 L HA 0.003 4.343 4.340 -0.000 0.000 0.215 489 L C 2.052 178.854 176.870 -0.112 0.000 1.119 489 L CA 1.043 55.808 54.840 -0.125 0.000 0.790 489 L CB -0.123 41.847 42.059 -0.148 0.000 0.919 489 L HN 0.439 nan 8.230 nan 0.000 0.443 490 G N -0.944 107.760 108.800 -0.159 0.000 3.126 490 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.224 490 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.224 490 G C 1.376 176.380 174.900 0.173 0.000 1.142 490 G CA -0.035 45.071 45.100 0.008 0.000 0.759 490 G HN 0.474 nan 8.290 nan 0.000 0.550 491 Q N 1.423 121.280 119.800 0.094 0.000 2.135 491 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 491 Q C 1.336 177.377 176.000 0.068 0.000 0.981 491 Q CA 1.652 57.512 55.803 0.095 0.000 0.856 491 Q CB -0.425 28.345 28.738 0.053 0.000 0.902 491 Q HN 0.455 nan 8.270 nan 0.000 0.425 492 D N -0.002 120.426 120.400 0.048 0.000 2.328 492 D HA 0.072 4.712 4.640 -0.000 0.000 0.221 492 D C 0.477 176.797 176.300 0.034 0.000 1.072 492 D CA -0.067 53.952 54.000 0.032 0.000 0.850 492 D CB 0.192 41.003 40.800 0.018 0.000 0.922 492 D HN 0.125 nan 8.370 nan 0.000 0.516 493 L N 0.000 121.257 121.223 0.057 0.000 2.949 493 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 493 L CA 0.000 54.870 54.840 0.050 0.000 0.813 493 L CB 0.000 42.108 42.059 0.081 0.000 0.961 493 L HN 0.000 nan 8.230 nan 0.000 0.502