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 2xfq_1_A DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLIGLTTI 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.501 175.510 -0.015 0.000 1.280 3 N CA 0.000 52.970 53.050 -0.134 0.000 0.885 3 N CB 0.000 38.306 38.487 -0.302 0.000 1.341 4 K N 1.006 121.420 120.400 0.023 0.000 2.207 4 K HA 0.896 5.216 4.320 0.000 0.000 0.255 4 K C -0.601 176.038 176.600 0.065 0.000 0.941 4 K CA -0.765 55.547 56.287 0.042 0.000 0.825 4 K CB 1.692 34.203 32.500 0.018 0.000 1.119 4 K HN 0.760 nan 8.250 nan 0.000 0.430 5 C N -1.439 117.903 119.300 0.071 0.000 3.314 5 C HA 0.401 4.861 4.460 0.000 0.000 0.344 5 C C 0.573 175.600 174.990 0.062 0.000 1.461 5 C CA -0.760 58.300 59.018 0.070 0.000 1.249 5 C CB 0.875 28.669 27.740 0.089 0.000 1.632 5 C HN 0.815 nan 8.230 nan 0.000 0.452 6 D N 0.289 120.729 120.400 0.066 0.000 2.149 6 D HA 0.137 4.777 4.640 0.000 0.000 0.206 6 D C 0.362 176.730 176.300 0.115 0.000 0.967 6 D CA 1.658 55.708 54.000 0.083 0.000 0.848 6 D CB 0.221 41.068 40.800 0.079 0.000 0.998 6 D HN 0.497 nan 8.370 nan 0.000 0.474 7 V N 1.402 121.371 119.914 0.093 0.000 2.623 7 V HA 0.261 4.381 4.120 0.000 0.000 0.304 7 V C -0.166 175.960 176.094 0.052 0.000 1.054 7 V CA -0.848 61.509 62.300 0.096 0.000 0.882 7 V CB 2.783 34.650 31.823 0.074 0.000 1.002 7 V HN -0.249 nan 8.190 nan 0.000 0.424 8 V N 5.319 125.259 119.914 0.043 0.000 2.407 8 V HA 0.373 4.493 4.120 0.000 0.000 0.278 8 V C -0.028 176.059 176.094 -0.012 0.000 1.037 8 V CA -0.385 61.911 62.300 -0.007 0.000 0.900 8 V CB 1.873 33.685 31.823 -0.018 0.000 0.983 8 V HN 0.645 nan 8.190 nan 0.000 0.459 9 V N 6.454 126.346 119.914 -0.037 0.000 2.350 9 V HA 0.292 4.412 4.120 0.000 0.000 0.276 9 V C 0.060 176.125 176.094 -0.048 0.000 1.028 9 V CA -0.541 61.742 62.300 -0.029 0.000 0.860 9 V CB 1.628 33.437 31.823 -0.023 0.000 0.990 9 V HN 0.597 nan 8.190 nan 0.000 0.453 10 V N 4.818 124.717 119.914 -0.025 0.000 2.368 10 V HA 0.780 4.900 4.120 0.000 0.000 0.266 10 V C 0.722 176.815 176.094 -0.001 0.000 1.045 10 V CA 0.477 62.762 62.300 -0.025 0.000 0.899 10 V CB 0.375 32.199 31.823 0.002 0.000 1.006 10 V HN 1.259 nan 8.190 nan 0.000 0.470 11 G N 3.650 112.436 108.800 -0.024 0.000 3.233 11 G HA2 0.199 4.159 3.960 0.000 0.000 0.686 11 G HA3 0.199 4.159 3.960 0.000 0.000 0.686 11 G C 0.034 174.930 174.900 -0.006 0.000 1.153 11 G CA -0.518 44.581 45.100 -0.002 0.000 0.853 11 G HN 1.209 nan 8.290 nan 0.000 0.582 12 G N 0.811 109.605 108.800 -0.010 0.000 4.291 12 G HA2 0.693 4.653 3.960 0.000 0.000 0.304 12 G HA3 0.693 4.653 3.960 0.000 0.000 0.304 12 G C 0.838 175.750 174.900 0.020 0.000 1.264 12 G CA 0.907 46.004 45.100 -0.005 0.000 1.039 12 G HN 1.286 nan 8.290 nan 0.000 0.578 13 G N -0.157 108.666 108.800 0.039 0.000 2.535 13 G HA2 0.359 4.319 3.960 0.000 0.000 0.282 13 G HA3 0.359 4.319 3.960 0.000 0.000 0.282 13 G C 1.235 176.160 174.900 0.041 0.000 1.350 13 G CA -0.783 44.350 45.100 0.054 0.000 1.039 13 G HN 0.150 nan 8.290 nan 0.000 0.509 14 I N -0.498 120.099 120.570 0.045 0.000 2.151 14 I HA -0.258 3.912 4.170 0.000 0.000 0.243 14 I C 3.043 179.182 176.117 0.037 0.000 1.080 14 I CA 1.833 63.153 61.300 0.033 0.000 1.339 14 I CB -0.149 37.875 38.000 0.039 0.000 1.039 14 I HN 0.490 nan 8.210 nan 0.000 0.409 15 S N 0.492 116.226 115.700 0.057 0.000 2.348 15 S HA -0.146 4.324 4.470 0.000 0.000 0.221 15 S C 2.090 176.715 174.600 0.043 0.000 1.033 15 S CA 1.715 59.952 58.200 0.062 0.000 1.010 15 S CB -0.644 62.611 63.200 0.092 0.000 0.891 15 S HN 0.585 nan 8.310 nan 0.000 0.442 16 G N 1.347 110.171 108.800 0.040 0.000 2.422 16 G HA2 -0.150 3.810 3.960 0.000 0.000 0.218 16 G HA3 -0.150 3.810 3.960 0.000 0.000 0.218 16 G C 1.446 176.348 174.900 0.003 0.000 1.146 16 G CA 0.924 46.037 45.100 0.021 0.000 0.769 16 G HN 0.397 nan 8.290 nan 0.000 0.547 17 M N 1.247 120.848 119.600 0.001 0.000 2.132 17 M HA 0.091 4.571 4.480 0.000 0.000 0.263 17 M C 3.014 179.307 176.300 -0.012 0.000 1.065 17 M CA 1.209 56.501 55.300 -0.014 0.000 1.122 17 M CB -1.364 31.226 32.600 -0.017 0.000 1.365 17 M HN 0.303 nan 8.290 nan 0.000 0.411 18 A N 0.294 123.113 122.820 -0.003 0.000 1.933 18 A HA -0.007 4.313 4.320 0.000 0.000 0.218 18 A C 2.456 180.037 177.584 -0.004 0.000 1.175 18 A CA 2.170 54.205 52.037 -0.002 0.000 0.628 18 A CB -0.894 18.110 19.000 0.006 0.000 0.814 18 A HN 0.476 nan 8.150 nan 0.000 0.444 19 A N -0.130 122.688 122.820 -0.003 0.000 1.873 19 A HA 0.179 4.499 4.320 0.000 0.000 0.215 19 A C 2.530 180.109 177.584 -0.009 0.000 1.186 19 A CA 2.082 54.111 52.037 -0.012 0.000 0.616 19 A CB -1.089 17.905 19.000 -0.010 0.000 0.823 19 A HN 1.073 nan 8.150 nan 0.000 0.442 20 A N -0.066 122.751 122.820 -0.006 0.000 1.902 20 A HA -0.196 4.124 4.320 0.000 0.000 0.217 20 A C 2.130 179.728 177.584 0.025 0.000 1.181 20 A CA 2.176 54.213 52.037 0.000 0.000 0.623 20 A CB -0.478 18.509 19.000 -0.021 0.000 0.818 20 A HN 0.599 nan 8.150 nan 0.000 0.443 21 K N -0.431 119.976 120.400 0.012 0.000 2.026 21 K HA -0.075 4.245 4.320 0.000 0.000 0.208 21 K C 1.976 178.612 176.600 0.059 0.000 1.048 21 K CA 1.473 57.781 56.287 0.035 0.000 0.929 21 K CB -0.338 32.166 32.500 0.007 0.000 0.713 21 K HN 0.420 nan 8.250 nan 0.000 0.439 22 L N 1.046 122.282 121.223 0.022 0.000 2.012 22 L HA -0.183 4.157 4.340 0.000 0.000 0.210 22 L C 2.195 179.069 176.870 0.006 0.000 1.073 22 L CA 1.253 56.096 54.840 0.006 0.000 0.748 22 L CB -0.168 41.880 42.059 -0.019 0.000 0.891 22 L HN 0.282 nan 8.230 nan 0.000 0.431 23 L N -1.122 120.108 121.223 0.011 0.000 2.046 23 L HA -0.276 4.064 4.340 0.000 0.000 0.208 23 L C 2.594 179.485 176.870 0.035 0.000 1.077 23 L CA 1.565 56.409 54.840 0.005 0.000 0.747 23 L CB -0.748 41.313 42.059 0.004 0.000 0.896 23 L HN 0.429 nan 8.230 nan 0.000 0.432 24 H N 0.163 119.219 119.070 -0.023 0.000 2.321 24 H HA -0.184 4.372 4.556 0.000 0.000 0.300 24 H C 1.740 177.059 175.328 -0.016 0.000 1.087 24 H CA 1.921 57.960 56.048 -0.016 0.000 1.319 24 H CB 0.055 29.809 29.762 -0.014 0.000 1.379 24 H HN 0.209 nan 8.280 nan 0.000 0.501 25 D N -0.577 119.820 120.400 -0.004 0.000 2.309 25 D HA -0.077 4.563 4.640 0.000 0.000 0.212 25 D C 1.554 177.804 176.300 -0.083 0.000 0.968 25 D CA 1.003 54.969 54.000 -0.057 0.000 0.882 25 D CB -0.107 40.696 40.800 0.006 0.000 0.918 25 D HN 0.323 nan 8.370 nan 0.000 0.503 26 S N -1.204 114.453 115.700 -0.071 0.000 2.575 26 S HA 0.296 4.766 4.470 0.000 0.000 0.215 26 S C 1.591 176.145 174.600 -0.075 0.000 0.966 26 S CA 0.462 58.625 58.200 -0.062 0.000 0.911 26 S CB 0.863 64.033 63.200 -0.049 0.000 0.780 26 S HN 0.425 nan 8.310 nan 0.000 0.514 27 G N 1.148 109.878 108.800 -0.116 0.000 2.176 27 G HA2 -0.199 3.761 3.960 0.000 0.000 0.232 27 G HA3 -0.199 3.761 3.960 0.000 0.000 0.232 27 G C 0.015 174.871 174.900 -0.073 0.000 0.986 27 G CA -0.262 44.773 45.100 -0.109 0.000 0.643 27 G HN 0.427 nan 8.290 nan 0.000 0.522 28 L N 0.711 121.904 121.223 -0.051 0.000 2.418 28 L HA 0.399 4.739 4.340 0.000 0.000 0.265 28 L C 0.126 177.009 176.870 0.022 0.000 1.143 28 L CA -0.965 53.871 54.840 -0.008 0.000 0.809 28 L CB 0.475 42.536 42.059 0.003 0.000 1.124 28 L HN 0.010 nan 8.230 nan 0.000 0.456 29 N N 2.049 120.773 118.700 0.041 0.000 2.406 29 N HA 0.284 5.024 4.740 0.000 0.000 0.251 29 N C -0.615 174.939 175.510 0.072 0.000 1.069 29 N CA -0.122 52.969 53.050 0.068 0.000 0.947 29 N CB 1.531 40.052 38.487 0.057 0.000 1.111 29 N HN 0.371 nan 8.380 nan 0.000 0.497 30 V N 0.014 119.978 119.914 0.085 0.000 2.815 30 V HA 0.745 4.865 4.120 0.000 0.000 0.314 30 V C -0.026 176.087 176.094 0.032 0.000 1.064 30 V CA -0.756 61.577 62.300 0.055 0.000 0.952 30 V CB 1.994 33.847 31.823 0.049 0.000 1.020 30 V HN 0.162 nan 8.190 nan 0.000 0.439 31 V N 3.337 123.252 119.914 0.001 0.000 2.656 31 V HA 0.551 4.671 4.120 0.000 0.000 0.307 31 V C -0.421 175.617 176.094 -0.093 0.000 1.051 31 V CA -0.533 61.740 62.300 -0.045 0.000 0.893 31 V CB 2.226 34.018 31.823 -0.051 0.000 0.999 31 V HN 0.840 nan 8.190 nan 0.000 0.426 32 V N 5.977 125.827 119.914 -0.107 0.000 2.370 32 V HA 0.456 4.576 4.120 0.000 0.000 0.283 32 V C -0.240 175.757 176.094 -0.162 0.000 1.023 32 V CA -0.446 61.788 62.300 -0.109 0.000 0.857 32 V CB 1.536 33.314 31.823 -0.075 0.000 0.985 32 V HN 0.601 nan 8.190 nan 0.000 0.443 33 L N 4.595 125.706 121.223 -0.186 0.000 2.262 33 L HA 0.563 4.903 4.340 0.000 0.000 0.288 33 L C -0.150 176.632 176.870 -0.147 0.000 1.035 33 L CA -0.362 54.348 54.840 -0.217 0.000 0.820 33 L CB 1.354 43.246 42.059 -0.277 0.000 1.204 33 L HN 0.601 nan 8.230 nan 0.000 0.424 34 E N 2.331 122.452 120.200 -0.133 0.000 2.158 34 E HA 0.458 4.808 4.350 0.000 0.000 0.271 34 E C 0.428 176.921 176.600 -0.179 0.000 0.911 34 E CA -0.302 56.023 56.400 -0.125 0.000 0.767 34 E CB 2.042 31.691 29.700 -0.084 0.000 1.120 34 E HN 0.548 nan 8.360 nan 0.000 0.405 35 A N 5.569 128.218 122.820 -0.285 0.000 1.902 35 A HA -0.081 4.239 4.320 0.000 0.000 0.217 35 A C 1.125 178.488 177.584 -0.369 0.000 1.181 35 A CA 1.100 52.830 52.037 -0.511 0.000 0.623 35 A CB -0.208 18.044 19.000 -1.246 0.000 0.818 35 A HN 0.611 nan 8.150 nan 0.000 0.443 36 R N -0.222 120.140 120.500 -0.230 0.000 2.580 36 R HA 0.243 4.583 4.340 0.000 0.000 0.267 36 R C 0.166 176.428 176.300 -0.063 0.000 1.125 36 R CA 0.166 56.207 56.100 -0.100 0.000 1.188 36 R CB 0.126 30.405 30.300 -0.036 0.000 1.155 36 R HN 0.472 nan 8.270 nan 0.000 0.586 37 D N 0.193 120.573 120.400 -0.033 0.000 2.324 37 D HA -0.033 4.607 4.640 0.000 0.000 0.235 37 D C -0.056 176.242 176.300 -0.004 0.000 1.095 37 D CA 0.118 54.108 54.000 -0.017 0.000 0.871 37 D CB -0.060 40.736 40.800 -0.007 0.000 0.906 37 D HN 0.410 nan 8.370 nan 0.000 0.522 38 R N -1.093 119.405 120.500 -0.003 0.000 2.710 38 R HA 0.562 4.902 4.340 0.000 0.000 0.270 38 R C -0.704 175.611 176.300 0.025 0.000 1.021 38 R CA -1.104 55.011 56.100 0.026 0.000 0.889 38 R CB 1.177 31.511 30.300 0.057 0.000 1.243 38 R HN -0.087 nan 8.270 nan 0.000 0.464 39 V N -1.225 118.712 119.914 0.038 0.000 3.295 39 V HA 0.827 4.947 4.120 0.000 0.000 0.308 39 V C 0.972 177.115 176.094 0.083 0.000 1.068 39 V CA 0.529 62.852 62.300 0.039 0.000 1.062 39 V CB 0.783 32.616 31.823 0.015 0.000 1.162 39 V HN 1.204 nan 8.190 nan 0.000 0.456 40 G N -0.747 108.102 108.800 0.082 0.000 2.307 40 G HA2 0.161 4.121 3.960 0.000 0.000 0.210 40 G HA3 0.161 4.121 3.960 0.000 0.000 0.210 40 G C 1.620 176.605 174.900 0.141 0.000 1.005 40 G CA 0.704 45.872 45.100 0.114 0.000 0.634 40 G HN 2.670 nan 8.290 nan 0.000 0.496 41 G N 0.527 109.421 108.800 0.157 0.000 2.596 41 G HA2 -0.381 3.579 3.960 0.000 0.000 0.304 41 G HA3 -0.381 3.579 3.960 0.000 0.000 0.304 41 G C 0.909 175.959 174.900 0.251 0.000 1.189 41 G CA 1.376 46.585 45.100 0.181 0.000 0.986 41 G HN 1.186 nan 8.290 nan 0.000 0.548 42 R N 1.709 122.260 120.500 0.085 0.000 2.339 42 R HA 0.197 4.537 4.340 0.000 0.000 0.199 42 R C 1.167 177.354 176.300 -0.189 0.000 1.018 42 R CA 1.120 57.078 56.100 -0.236 0.000 1.036 42 R CB -0.241 29.891 30.300 -0.279 0.000 0.899 42 R HN 0.722 nan 8.270 nan 0.000 0.473 43 T N -2.292 112.303 114.554 0.069 0.000 2.829 43 T HA 0.352 4.702 4.350 0.000 0.000 0.282 43 T C -0.934 173.986 174.700 0.366 0.000 0.990 43 T CA -0.623 61.568 62.100 0.152 0.000 1.028 43 T CB 1.497 70.425 68.868 0.101 0.000 0.951 43 T HN 0.098 nan 8.240 nan 0.000 0.460 44 Y N 1.288 121.736 120.300 0.247 0.000 2.358 44 Y HA 0.443 4.993 4.550 0.000 0.000 0.324 44 Y C -1.177 174.841 175.900 0.196 0.000 1.123 44 Y CA -0.889 57.359 58.100 0.248 0.000 1.067 44 Y CB 1.745 40.419 38.460 0.358 0.000 1.230 44 Y HN 0.865 nan 8.280 nan 0.000 0.429 45 T N 7.885 122.251 114.554 -0.314 0.000 2.770 45 T HA 0.379 4.729 4.350 0.000 0.000 0.297 45 T C -0.780 173.579 174.700 -0.569 0.000 0.997 45 T CA -0.395 61.525 62.100 -0.300 0.000 0.949 45 T CB 0.443 69.257 68.868 -0.090 0.000 0.941 45 T HN 0.589 nan 8.240 nan 0.000 0.457 46 L N 4.648 125.560 121.223 -0.519 0.000 2.349 46 L HA 0.519 4.859 4.340 0.000 0.000 0.275 46 L C -0.031 176.776 176.870 -0.105 0.000 1.115 46 L CA 0.107 54.747 54.840 -0.334 0.000 0.820 46 L CB 0.355 42.309 42.059 -0.174 0.000 1.135 46 L HN 0.509 nan 8.230 nan 0.000 0.445 47 R N 3.797 124.262 120.500 -0.059 0.000 2.480 47 R HA 0.580 4.920 4.340 0.000 0.000 0.306 47 R C -1.140 175.146 176.300 -0.024 0.000 0.958 47 R CA -0.635 55.454 56.100 -0.019 0.000 0.861 47 R CB 1.285 31.585 30.300 -0.000 0.000 1.171 47 R HN 0.910 nan 8.270 nan 0.000 0.445 48 N N -0.412 118.258 118.700 -0.050 0.000 3.020 48 N HA 0.053 4.793 4.740 0.000 0.000 0.248 48 N C -0.100 175.359 175.510 -0.084 0.000 1.480 48 N CA -0.845 52.173 53.050 -0.053 0.000 0.874 48 N CB 0.719 39.179 38.487 -0.045 0.000 1.433 48 N HN 0.127 nan 8.380 nan 0.000 0.530 49 Q N -0.361 119.395 119.800 -0.073 0.000 2.311 49 Q HA 0.109 4.449 4.340 0.000 0.000 0.203 49 Q C 0.635 176.592 176.000 -0.072 0.000 0.954 49 Q CA 0.937 56.709 55.803 -0.050 0.000 0.885 49 Q CB -0.036 28.685 28.738 -0.029 0.000 0.963 49 Q HN 0.522 nan 8.270 nan 0.000 0.471 50 K N 0.442 120.710 120.400 -0.220 0.000 2.155 50 K HA -0.033 4.287 4.320 0.000 0.000 0.203 50 K C 2.006 178.414 176.600 -0.320 0.000 1.052 50 K CA 1.058 57.116 56.287 -0.382 0.000 0.948 50 K CB 0.085 32.000 32.500 -0.975 0.000 0.728 50 K HN 0.260 nan 8.250 nan 0.000 0.448 51 V N -2.824 116.870 119.914 -0.366 0.000 3.661 51 V HA 0.230 4.350 4.120 0.000 0.000 0.271 51 V C 1.429 177.158 176.094 -0.608 0.000 1.315 51 V CA 0.713 62.756 62.300 -0.429 0.000 1.072 51 V CB 0.190 31.794 31.823 -0.365 0.000 0.830 51 V HN 0.265 nan 8.190 nan 0.000 0.443 52 K N 0.454 120.562 120.400 -0.485 0.000 10.392 52 K HA -0.304 4.016 4.320 0.000 0.000 0.519 52 K C 0.166 176.670 176.600 -0.161 0.000 0.376 52 K CA 2.521 58.559 56.287 -0.414 0.000 1.951 52 K CB -1.431 30.623 32.500 -0.743 0.000 0.744 52 K HN 0.947 nan 8.250 nan 0.000 1.160 53 Y N -2.127 118.034 120.300 -0.231 0.000 2.597 53 Y HA 0.737 5.287 4.550 0.000 0.000 0.340 53 Y C -1.178 174.682 175.900 -0.067 0.000 1.097 53 Y CA -0.693 57.329 58.100 -0.130 0.000 1.037 53 Y CB 2.009 40.410 38.460 -0.098 0.000 1.305 53 Y HN 0.033 nan 8.280 nan 0.000 0.463 54 V N 1.761 121.731 119.914 0.094 0.000 2.924 54 V HA 0.353 4.473 4.120 0.000 0.000 0.300 54 V C -1.716 174.433 176.094 0.092 0.000 1.227 54 V CA -0.674 61.682 62.300 0.094 0.000 0.954 54 V CB 2.068 33.962 31.823 0.118 0.000 1.055 54 V HN 0.920 nan 8.190 nan 0.000 0.429 55 D N 5.408 125.874 120.400 0.111 0.000 2.339 55 D HA 0.298 4.938 4.640 0.000 0.000 0.256 55 D C 0.946 177.327 176.300 0.136 0.000 1.214 55 D CA 0.229 54.283 54.000 0.090 0.000 0.877 55 D CB 1.724 42.553 40.800 0.048 0.000 1.111 55 D HN 0.536 nan 8.370 nan 0.000 0.478 56 L N 1.447 122.802 121.223 0.220 0.000 2.529 56 L HA 0.193 4.533 4.340 0.000 0.000 0.223 56 L C 1.588 178.859 176.870 0.668 0.000 1.113 56 L CA 0.141 55.222 54.840 0.401 0.000 0.861 56 L CB 0.215 42.531 42.059 0.428 0.000 1.012 56 L HN 0.339 nan 8.230 nan 0.000 0.461 57 G N -0.720 108.378 108.800 0.498 0.000 3.356 57 G HA2 0.427 4.387 3.960 0.000 0.000 0.178 57 G HA3 0.427 4.387 3.960 0.000 0.000 0.178 57 G C -0.101 174.814 174.900 0.025 0.000 1.175 57 G CA 0.041 45.230 45.100 0.149 0.000 0.840 57 G HN 0.101 nan 8.290 nan 0.000 0.658 58 G N -0.796 107.950 108.800 -0.091 0.000 2.414 58 G HA2 0.378 4.338 3.960 0.000 0.000 0.236 58 G HA3 0.378 4.338 3.960 0.000 0.000 0.236 58 G C 0.489 175.368 174.900 -0.035 0.000 1.293 58 G CA 1.007 46.066 45.100 -0.068 0.000 0.869 58 G HN 0.939 nan 8.290 nan 0.000 0.556 59 S N 0.753 116.386 115.700 -0.111 0.000 3.718 59 S HA 0.153 4.623 4.470 0.000 0.000 0.238 59 S C -0.065 174.308 174.600 -0.378 0.000 1.136 59 S CA -0.335 57.707 58.200 -0.262 0.000 0.950 59 S CB -0.228 62.675 63.200 -0.495 0.000 1.096 59 S HN 0.483 nan 8.310 nan 0.000 0.467 60 Y N 3.137 123.399 120.300 -0.063 0.000 2.319 60 Y HA 0.530 5.080 4.550 0.000 0.000 0.328 60 Y C 0.311 176.088 175.900 -0.205 0.000 1.133 60 Y CA -0.298 57.717 58.100 -0.143 0.000 1.265 60 Y CB 1.128 39.544 38.460 -0.072 0.000 1.218 60 Y HN 0.159 nan 8.280 nan 0.000 0.508 61 V N -0.112 119.690 119.914 -0.188 0.000 3.040 61 V HA 1.098 5.218 4.120 0.000 0.000 0.312 61 V C -0.283 175.624 176.094 -0.312 0.000 1.115 61 V CA -0.533 61.579 62.300 -0.314 0.000 0.998 61 V CB 1.665 33.229 31.823 -0.432 0.000 1.042 61 V HN 0.926 nan 8.190 nan 0.000 0.433 62 G N 0.635 109.199 108.800 -0.393 0.000 2.663 62 G HA2 0.745 4.705 3.960 0.000 0.000 0.299 62 G HA3 0.745 4.705 3.960 0.000 0.000 0.299 62 G C -3.385 171.354 174.900 -0.267 0.000 1.372 62 G CA -1.291 43.630 45.100 -0.298 0.000 0.781 62 G HN 0.720 nan 8.290 nan 0.000 0.491 63 P HA 0.106 nan 4.420 nan 0.000 0.265 63 P C 0.732 178.022 177.300 -0.018 0.000 1.187 63 P CA 1.926 64.986 63.100 -0.068 0.000 0.766 63 P CB 0.933 32.620 31.700 -0.022 0.000 0.820 64 T N -1.375 113.199 114.554 0.034 0.000 6.424 64 T HA -0.245 4.105 4.350 0.000 0.000 0.279 64 T C 0.267 175.013 174.700 0.076 0.000 2.176 64 T CA 1.021 63.222 62.100 0.169 0.000 3.628 64 T CB -2.703 66.395 68.868 0.384 0.000 1.165 64 T HN 0.587 nan 8.240 nan 0.000 1.080 65 Q N 1.229 120.892 119.800 -0.227 0.000 3.135 65 Q HA 0.371 4.711 4.340 0.000 0.000 0.344 65 Q C 0.958 176.871 176.000 -0.145 0.000 1.321 65 Q CA -0.494 55.076 55.803 -0.388 0.000 1.050 65 Q CB 0.219 28.526 28.738 -0.720 0.000 1.498 65 Q HN 0.486 nan 8.270 nan 0.000 0.503 66 N N 0.959 119.648 118.700 -0.018 0.000 2.244 66 N HA -0.112 4.628 4.740 0.000 0.000 0.183 66 N C 1.281 176.805 175.510 0.023 0.000 1.016 66 N CA 1.025 54.085 53.050 0.016 0.000 0.866 66 N CB 0.205 38.727 38.487 0.058 0.000 0.980 66 N HN 0.393 nan 8.380 nan 0.000 0.430 67 R N 0.512 121.033 120.500 0.034 0.000 2.062 67 R HA 0.006 4.346 4.340 0.000 0.000 0.231 67 R C 2.112 178.430 176.300 0.029 0.000 1.136 67 R CA 0.754 56.877 56.100 0.039 0.000 0.948 67 R CB -0.462 29.874 30.300 0.059 0.000 0.845 67 R HN 0.108 nan 8.270 nan 0.000 0.430 68 I N 1.294 121.876 120.570 0.021 0.000 2.361 68 I HA -0.200 3.970 4.170 0.000 0.000 0.251 68 I C 1.789 177.967 176.117 0.101 0.000 1.133 68 I CA 1.398 62.730 61.300 0.055 0.000 1.413 68 I CB -0.027 38.014 38.000 0.068 0.000 1.073 68 I HN 0.110 nan 8.210 nan 0.000 0.424 69 L N 0.130 121.396 121.223 0.070 0.000 2.056 69 L HA -0.147 4.193 4.340 0.000 0.000 0.207 69 L C 2.735 179.647 176.870 0.071 0.000 1.078 69 L CA 1.214 56.112 54.840 0.096 0.000 0.749 69 L CB -0.829 41.246 42.059 0.026 0.000 0.901 69 L HN 0.256 nan 8.230 nan 0.000 0.433 70 R N 0.746 121.270 120.500 0.040 0.000 2.075 70 R HA -0.168 4.172 4.340 0.000 0.000 0.232 70 R C 2.275 178.583 176.300 0.014 0.000 1.126 70 R CA 1.537 57.653 56.100 0.026 0.000 0.963 70 R CB -0.592 29.722 30.300 0.024 0.000 0.858 70 R HN 0.245 nan 8.270 nan 0.000 0.435 71 L N 1.186 122.414 121.223 0.008 0.000 1.994 71 L HA -0.052 4.288 4.340 0.000 0.000 0.208 71 L C 2.444 179.283 176.870 -0.052 0.000 1.071 71 L CA 2.359 57.188 54.840 -0.018 0.000 0.745 71 L CB -0.903 41.145 42.059 -0.020 0.000 0.892 71 L HN 0.230 nan 8.230 nan 0.000 0.431 72 A N -0.652 122.126 122.820 -0.070 0.000 1.902 72 A HA -0.277 4.043 4.320 0.000 0.000 0.217 72 A C 2.468 180.003 177.584 -0.082 0.000 1.181 72 A CA 2.050 53.980 52.037 -0.178 0.000 0.623 72 A CB -0.675 18.144 19.000 -0.301 0.000 0.818 72 A HN 0.521 nan 8.150 nan 0.000 0.443 73 K N -0.315 120.085 120.400 0.000 0.000 2.057 73 K HA -0.212 4.108 4.320 0.000 0.000 0.207 73 K C 2.062 178.656 176.600 -0.010 0.000 1.049 73 K CA 1.724 58.019 56.287 0.012 0.000 0.931 73 K CB -0.184 32.334 32.500 0.030 0.000 0.714 73 K HN 0.627 nan 8.250 nan 0.000 0.440 74 E N 0.437 120.628 120.200 -0.014 0.000 2.204 74 E HA -0.157 4.193 4.350 0.000 0.000 0.195 74 E C 1.561 178.144 176.600 -0.028 0.000 0.990 74 E CA 0.726 57.117 56.400 -0.016 0.000 0.821 74 E CB 0.051 29.744 29.700 -0.012 0.000 0.750 74 E HN 0.358 nan 8.360 nan 0.000 0.477 75 L N -0.742 120.450 121.223 -0.051 0.000 2.591 75 L HA 0.189 4.529 4.340 0.000 0.000 0.228 75 L C 1.358 178.190 176.870 -0.063 0.000 1.133 75 L CA 0.452 55.253 54.840 -0.065 0.000 0.880 75 L CB 0.283 42.281 42.059 -0.102 0.000 1.033 75 L HN 0.380 nan 8.230 nan 0.000 0.450 76 G N 0.133 108.905 108.800 -0.047 0.000 2.141 76 G HA2 -0.225 3.735 3.960 0.000 0.000 0.231 76 G HA3 -0.225 3.735 3.960 0.000 0.000 0.231 76 G C 0.082 174.960 174.900 -0.037 0.000 0.984 76 G CA -0.367 44.712 45.100 -0.034 0.000 0.660 76 G HN 0.184 nan 8.290 nan 0.000 0.525 77 L N 0.168 121.359 121.223 -0.053 0.000 2.399 77 L HA 0.708 5.048 4.340 0.000 0.000 0.265 77 L C 0.613 177.522 176.870 0.064 0.000 1.089 77 L CA -0.789 54.028 54.840 -0.038 0.000 0.802 77 L CB 1.052 43.000 42.059 -0.184 0.000 1.180 77 L HN 0.206 nan 8.230 nan 0.000 0.454 78 E N -0.077 120.199 120.200 0.126 0.000 2.320 78 E HA 0.505 4.855 4.350 0.000 0.000 0.264 78 E C -0.902 175.850 176.600 0.253 0.000 0.923 78 E CA -0.748 55.749 56.400 0.162 0.000 0.796 78 E CB 2.320 32.091 29.700 0.118 0.000 1.262 78 E HN 0.650 nan 8.360 nan 0.000 0.428 79 T N -1.465 113.183 114.554 0.156 0.000 2.949 79 T HA 0.648 4.998 4.350 0.000 0.000 0.287 79 T C -0.847 173.922 174.700 0.115 0.000 1.034 79 T CA -0.700 61.415 62.100 0.025 0.000 1.018 79 T CB 0.813 69.584 68.868 -0.162 0.000 1.135 79 T HN 0.559 nan 8.240 nan 0.000 0.532 80 Y N -1.549 118.741 120.300 -0.017 0.000 2.615 80 Y HA 0.734 5.284 4.550 0.000 0.000 0.341 80 Y C -0.985 174.913 175.900 -0.003 0.000 1.089 80 Y CA -1.524 56.580 58.100 0.008 0.000 1.049 80 Y CB 1.302 39.787 38.460 0.041 0.000 1.296 80 Y HN 0.661 nan 8.280 nan 0.000 0.470 81 K N 2.208 122.690 120.400 0.136 0.000 2.258 81 K HA 0.464 4.784 4.320 0.000 0.000 0.284 81 K C -0.818 175.846 176.600 0.107 0.000 1.051 81 K CA -0.814 55.493 56.287 0.033 0.000 0.923 81 K CB 1.675 34.211 32.500 0.060 0.000 1.046 81 K HN 0.587 nan 8.250 nan 0.000 0.474 82 V N 3.180 123.094 119.914 0.001 0.000 2.694 82 V HA -0.133 3.987 4.120 0.000 0.000 0.306 82 V C 0.631 176.782 176.094 0.095 0.000 1.054 82 V CA -0.052 62.303 62.300 0.092 0.000 1.161 82 V CB 0.108 31.968 31.823 0.062 0.000 0.916 82 V HN 0.732 nan 8.190 nan 0.000 0.490 83 N N 3.589 122.364 118.700 0.125 0.000 2.434 83 N HA 0.017 4.757 4.740 0.000 0.000 0.268 83 N C 0.326 175.861 175.510 0.043 0.000 1.256 83 N CA 0.478 53.584 53.050 0.094 0.000 0.914 83 N CB 0.264 38.828 38.487 0.128 0.000 1.088 83 N HN 0.839 nan 8.380 nan 0.000 0.478 84 E N 2.807 123.019 120.200 0.021 0.000 2.876 84 E HA 0.123 4.473 4.350 0.000 0.000 0.208 84 E C 0.449 177.043 176.600 -0.010 0.000 0.981 84 E CA -0.076 56.317 56.400 -0.012 0.000 1.174 84 E CB 0.230 29.909 29.700 -0.034 0.000 1.047 84 E HN 0.419 nan 8.360 nan 0.000 0.477 85 V N 0.639 120.558 119.914 0.009 0.000 2.261 85 V HA -0.196 3.924 4.120 0.000 0.000 0.246 85 V C 0.961 177.054 176.094 -0.002 0.000 1.047 85 V CA 1.732 64.034 62.300 0.004 0.000 1.015 85 V CB -0.225 31.603 31.823 0.008 0.000 0.642 85 V HN 0.286 nan 8.190 nan 0.000 0.446 86 E N -0.658 119.548 120.200 0.010 0.000 3.188 86 E HA 0.362 4.712 4.350 0.000 0.000 0.262 86 E C 0.289 176.890 176.600 0.002 0.000 1.341 86 E CA -0.572 55.836 56.400 0.012 0.000 1.140 86 E CB 0.171 29.891 29.700 0.033 0.000 1.306 86 E HN 0.329 nan 8.360 nan 0.000 0.694 87 R N 0.132 120.652 120.500 0.033 0.000 2.539 87 R HA 0.281 4.621 4.340 0.000 0.000 0.275 87 R C -0.437 175.819 176.300 -0.073 0.000 1.077 87 R CA -0.571 55.526 56.100 -0.005 0.000 1.097 87 R CB 0.120 30.476 30.300 0.094 0.000 1.018 87 R HN 0.172 nan 8.270 nan 0.000 0.483 88 L N 2.324 123.328 121.223 -0.365 0.000 2.468 88 L HA 0.398 4.738 4.340 0.000 0.000 0.254 88 L C 0.172 176.830 176.870 -0.355 0.000 1.171 88 L CA 0.178 54.705 54.840 -0.523 0.000 0.809 88 L CB 0.413 41.845 42.059 -1.046 0.000 1.155 88 L HN 0.471 nan 8.230 nan 0.000 0.473 89 I N -0.169 120.333 120.570 -0.113 0.000 2.533 89 I HA 0.268 4.438 4.170 0.000 0.000 0.290 89 I C -0.736 175.667 176.117 0.476 0.000 1.056 89 I CA -0.486 60.908 61.300 0.157 0.000 1.057 89 I CB 1.751 39.689 38.000 -0.103 0.000 1.240 89 I HN 0.540 nan 8.210 nan 0.000 0.423 90 H N 5.386 124.774 119.070 0.531 0.000 2.541 90 H HA 0.342 4.898 4.556 0.000 0.000 0.316 90 H C -1.399 174.168 175.328 0.398 0.000 1.043 90 H CA -0.677 55.628 56.048 0.428 0.000 1.232 90 H CB 0.941 30.870 29.762 0.279 0.000 1.406 90 H HN 0.638 nan 8.280 nan 0.000 0.469 91 H N 4.460 123.614 119.070 0.139 0.000 2.504 91 H HA 0.432 4.988 4.556 0.000 0.000 0.322 91 H C -1.525 173.769 175.328 -0.056 0.000 1.055 91 H CA -0.483 55.587 56.048 0.038 0.000 1.231 91 H CB 0.999 30.795 29.762 0.056 0.000 1.417 91 H HN 0.354 nan 8.280 nan 0.000 0.472 92 V N 5.999 125.725 119.914 -0.313 0.000 2.851 92 V HA 0.255 4.375 4.120 0.000 0.000 0.307 92 V C -0.826 175.183 176.094 -0.142 0.000 1.129 92 V CA -0.877 61.302 62.300 -0.201 0.000 0.932 92 V CB 1.524 33.161 31.823 -0.310 0.000 1.024 92 V HN 1.037 nan 8.190 nan 0.000 0.426 93 K N 4.694 125.052 120.400 -0.070 0.000 3.077 93 K HA -0.210 4.110 4.320 0.000 0.000 0.264 93 K C 0.927 177.475 176.600 -0.087 0.000 1.008 93 K CA 1.004 57.271 56.287 -0.034 0.000 0.740 93 K CB -1.681 30.822 32.500 0.006 0.000 1.273 93 K HN 2.057 nan 8.250 nan 0.000 0.477 94 G N -0.355 108.338 108.800 -0.179 0.000 2.162 94 G HA2 -0.336 3.624 3.960 0.000 0.000 0.260 94 G HA3 -0.336 3.624 3.960 0.000 0.000 0.260 94 G C -0.083 174.640 174.900 -0.295 0.000 0.976 94 G CA 1.001 46.032 45.100 -0.115 0.000 0.655 94 G HN 0.384 nan 8.290 nan 0.000 0.533 95 K N -0.049 120.000 120.400 -0.585 0.000 2.426 95 K HA 0.639 4.959 4.320 0.000 0.000 0.251 95 K C -0.685 175.570 176.600 -0.574 0.000 0.941 95 K CA -0.605 55.408 56.287 -0.457 0.000 0.808 95 K CB 1.981 34.270 32.500 -0.353 0.000 1.265 95 K HN 0.073 nan 8.250 nan 0.000 0.432 96 S N 1.373 116.850 115.700 -0.371 0.000 2.475 96 S HA 0.482 4.952 4.470 0.000 0.000 0.298 96 S C -1.373 172.975 174.600 -0.420 0.000 1.119 96 S CA -0.580 57.519 58.200 -0.169 0.000 1.085 96 S CB 0.342 63.568 63.200 0.043 0.000 1.028 96 S HN 0.364 nan 8.310 nan 0.000 0.489 97 Y N 2.755 123.145 120.300 0.149 0.000 2.349 97 Y HA 0.361 4.911 4.550 0.000 0.000 0.324 97 Y C -2.348 173.757 175.900 0.342 0.000 1.005 97 Y CA -2.302 55.926 58.100 0.214 0.000 1.240 97 Y CB 1.197 39.775 38.460 0.196 0.000 1.117 97 Y HN 0.436 nan 8.280 nan 0.000 0.463 98 P HA 0.334 nan 4.420 nan 0.000 0.274 98 P C -0.831 176.763 177.300 0.490 0.000 1.231 98 P CA 0.041 63.380 63.100 0.398 0.000 0.790 98 P CB 1.274 33.193 31.700 0.366 0.000 0.951 99 F N -1.370 118.697 119.950 0.195 0.000 2.817 99 F HA 0.696 5.223 4.527 0.000 0.000 0.317 99 F C -1.322 174.545 175.800 0.111 0.000 1.168 99 F CA -1.301 56.795 58.000 0.160 0.000 0.911 99 F CB 1.313 40.411 39.000 0.164 0.000 1.337 99 F HN 0.117 nan 8.300 nan 0.000 0.464 100 R N 0.796 121.404 120.500 0.179 0.000 2.795 100 R HA 0.782 5.122 4.340 0.000 0.000 0.275 100 R C -0.477 175.948 176.300 0.209 0.000 0.981 100 R CA -0.737 55.382 56.100 0.032 0.000 0.917 100 R CB 1.952 32.273 30.300 0.035 0.000 1.202 100 R HN 1.540 nan 8.270 nan 0.000 0.469 101 G N 1.525 110.381 108.800 0.094 0.000 2.525 101 G HA2 -0.146 3.814 3.960 0.000 0.000 0.685 101 G HA3 -0.146 3.814 3.960 0.000 0.000 0.685 101 G C -2.172 172.779 174.900 0.086 0.000 1.290 101 G CA -0.822 44.340 45.100 0.104 0.000 0.915 101 G HN 0.450 nan 8.290 nan 0.000 0.548 102 P HA 0.181 nan 4.420 nan 0.000 0.222 102 P C 0.248 177.076 177.300 -0.787 0.000 1.153 102 P CA 1.111 63.941 63.100 -0.450 0.000 0.798 102 P CB 0.090 31.447 31.700 -0.572 0.000 0.796 103 F N 0.035 119.957 119.950 -0.047 0.000 2.556 103 F HA 0.439 4.966 4.527 0.000 0.000 0.314 103 F C -2.313 173.211 175.800 -0.461 0.000 1.106 103 F CA -3.003 54.851 58.000 -0.242 0.000 0.911 103 F CB 1.190 40.004 39.000 -0.311 0.000 1.190 103 F HN -0.355 nan 8.300 nan 0.000 0.448 104 P HA 0.047 nan 4.420 nan 0.000 0.264 104 P C -2.456 174.621 177.300 -0.371 0.000 1.183 104 P CA -0.689 61.729 63.100 -1.136 0.000 0.763 104 P CB -0.252 30.891 31.700 -0.928 0.000 0.807 105 P HA 0.077 nan 4.420 nan 0.000 0.271 105 P C -0.878 176.296 177.300 -0.209 0.000 1.218 105 P CA 0.174 63.168 63.100 -0.177 0.000 0.780 105 P CB 0.615 32.241 31.700 -0.123 0.000 0.901 106 V N 3.283 123.033 119.914 -0.273 0.000 2.444 106 V HA 0.199 4.319 4.120 0.000 0.000 0.294 106 V C 0.321 176.271 176.094 -0.239 0.000 1.022 106 V CA -0.173 62.004 62.300 -0.206 0.000 0.850 106 V CB 1.496 33.162 31.823 -0.262 0.000 0.992 106 V HN 0.676 nan 8.190 nan 0.000 0.426 107 W N 1.306 122.580 121.300 -0.043 0.000 2.630 107 W HA 0.177 4.837 4.660 0.000 0.000 0.275 107 W C 1.435 177.940 176.519 -0.022 0.000 1.192 107 W CA -0.044 57.278 57.345 -0.039 0.000 1.410 107 W CB 0.243 29.682 29.460 -0.035 0.000 1.075 107 W HN 0.527 nan 8.180 nan 0.000 0.581 108 N N 2.127 120.952 118.700 0.208 0.000 2.414 108 N HA -0.049 4.691 4.740 0.000 0.000 0.268 108 N C -1.798 173.786 175.510 0.123 0.000 1.286 108 N CA -0.469 52.663 53.050 0.137 0.000 0.896 108 N CB 1.221 39.768 38.487 0.100 0.000 1.093 108 N HN -0.102 nan 8.380 nan 0.000 0.480 109 P HA -0.091 nan 4.420 nan 0.000 0.217 109 P C 1.538 178.916 177.300 0.132 0.000 1.150 109 P CA 0.615 63.778 63.100 0.105 0.000 0.832 109 P CB 0.354 32.092 31.700 0.062 0.000 0.787 110 I N -0.551 120.076 120.570 0.095 0.000 2.202 110 I HA -0.163 4.008 4.170 0.000 0.000 0.242 110 I C 1.958 178.130 176.117 0.093 0.000 1.091 110 I CA 1.859 63.205 61.300 0.077 0.000 1.368 110 I CB -1.969 36.071 38.000 0.066 0.000 1.058 110 I HN 0.017 nan 8.210 nan 0.000 0.410 111 T N 0.214 114.832 114.554 0.108 0.000 2.788 111 T HA -0.233 4.117 4.350 0.000 0.000 0.268 111 T C 1.877 176.648 174.700 0.119 0.000 1.044 111 T CA 1.300 63.476 62.100 0.126 0.000 1.139 111 T CB -0.580 68.343 68.868 0.090 0.000 0.867 111 T HN 0.327 nan 8.240 nan 0.000 0.454 112 Y N 1.797 122.084 120.300 -0.023 0.000 2.165 112 Y HA -0.110 4.440 4.550 0.000 0.000 0.286 112 Y C 1.999 177.902 175.900 0.004 0.000 1.155 112 Y CA 1.132 59.199 58.100 -0.054 0.000 1.164 112 Y CB -0.466 37.938 38.460 -0.092 0.000 0.978 112 Y HN 0.112 nan 8.280 nan 0.000 0.513 113 L N -0.089 121.144 121.223 0.017 0.000 2.042 113 L HA -0.241 4.099 4.340 0.000 0.000 0.210 113 L C 2.180 178.975 176.870 -0.125 0.000 1.076 113 L CA 1.877 56.673 54.840 -0.073 0.000 0.749 113 L CB -0.638 41.417 42.059 -0.007 0.000 0.893 113 L HN 0.256 nan 8.230 nan 0.000 0.432 114 D N -1.001 119.375 120.400 -0.040 0.000 2.097 114 D HA -0.195 4.445 4.640 0.000 0.000 0.197 114 D C 2.190 178.451 176.300 -0.064 0.000 0.984 114 D CA 1.214 55.200 54.000 -0.023 0.000 0.826 114 D CB 0.057 40.891 40.800 0.057 0.000 0.973 114 D HN 0.293 nan 8.370 nan 0.000 0.460 115 H N -0.241 118.724 119.070 -0.175 0.000 2.321 115 H HA -0.115 4.441 4.556 0.000 0.000 0.300 115 H C 2.134 177.344 175.328 -0.197 0.000 1.087 115 H CA 1.263 57.205 56.048 -0.177 0.000 1.319 115 H CB -0.139 29.537 29.762 -0.144 0.000 1.379 115 H HN 0.304 nan 8.280 nan 0.000 0.501 116 N N 1.034 119.583 118.700 -0.250 0.000 2.084 116 N HA -0.166 4.574 4.740 0.000 0.000 0.190 116 N C 1.819 177.213 175.510 -0.194 0.000 1.030 116 N CA 0.689 53.559 53.050 -0.301 0.000 0.849 116 N CB -0.174 37.987 38.487 -0.544 0.000 1.012 116 N HN 0.379 nan 8.380 nan 0.000 0.423 117 N N -0.089 118.500 118.700 -0.185 0.000 2.223 117 N HA -0.183 4.557 4.740 0.000 0.000 0.185 117 N C 1.820 177.224 175.510 -0.178 0.000 1.016 117 N CA 0.675 53.629 53.050 -0.160 0.000 0.863 117 N CB -0.237 38.171 38.487 -0.132 0.000 0.983 117 N HN 0.232 nan 8.380 nan 0.000 0.429 118 F N 0.680 120.426 119.950 -0.341 0.000 2.051 118 F HA -0.119 4.408 4.527 0.000 0.000 0.296 118 F C 1.750 177.260 175.800 -0.483 0.000 1.122 118 F CA 1.619 59.329 58.000 -0.484 0.000 1.201 118 F CB -0.940 37.600 39.000 -0.766 0.000 0.978 118 F HN 0.058 nan 8.300 nan 0.000 0.472 119 W N 0.612 121.544 121.300 -0.612 0.000 2.355 119 W HA -0.098 4.562 4.660 0.000 0.000 0.309 119 W C 2.844 179.054 176.519 -0.516 0.000 1.206 119 W CA 1.509 58.435 57.345 -0.698 0.000 1.284 119 W CB -0.749 28.360 29.460 -0.586 0.000 1.145 119 W HN -0.077 nan 8.180 nan 0.000 0.502 120 R N 0.140 120.532 120.500 -0.179 0.000 2.096 120 R HA -0.193 4.147 4.340 0.000 0.000 0.240 120 R C 1.938 178.109 176.300 -0.215 0.000 1.139 120 R CA 2.499 58.493 56.100 -0.178 0.000 0.952 120 R CB -0.730 29.469 30.300 -0.168 0.000 0.854 120 R HN 0.083 nan 8.270 nan 0.000 0.436 121 T N 1.081 115.472 114.554 -0.271 0.000 2.821 121 T HA -0.102 4.248 4.350 0.000 0.000 0.267 121 T C 1.832 176.356 174.700 -0.292 0.000 1.046 121 T CA 1.234 63.186 62.100 -0.247 0.000 1.139 121 T CB -0.049 68.692 68.868 -0.212 0.000 0.871 121 T HN 0.158 nan 8.240 nan 0.000 0.454 122 M N 1.862 121.208 119.600 -0.423 0.000 2.082 122 M HA -0.122 4.358 4.480 0.000 0.000 0.258 122 M C 1.814 177.982 176.300 -0.221 0.000 1.069 122 M CA 1.545 56.637 55.300 -0.346 0.000 1.102 122 M CB -1.141 31.218 32.600 -0.403 0.000 1.336 122 M HN 0.198 nan 8.290 nan 0.000 0.404 123 D N 0.374 120.659 120.400 -0.192 0.000 2.149 123 D HA -0.118 4.522 4.640 0.000 0.000 0.201 123 D C 1.604 177.832 176.300 -0.119 0.000 0.972 123 D CA 1.011 54.927 54.000 -0.141 0.000 0.835 123 D CB -0.302 40.427 40.800 -0.118 0.000 0.966 123 D HN 0.300 nan 8.370 nan 0.000 0.476 124 D N 0.552 120.879 120.400 -0.122 0.000 2.092 124 D HA -0.130 4.510 4.640 0.000 0.000 0.193 124 D C 2.230 178.509 176.300 -0.036 0.000 0.994 124 D CA 0.851 54.803 54.000 -0.079 0.000 0.828 124 D CB -0.311 40.440 40.800 -0.082 0.000 0.963 124 D HN 0.233 nan 8.370 nan 0.000 0.450 125 M N 0.256 119.802 119.600 -0.090 0.000 2.108 125 M HA -0.068 4.412 4.480 0.000 0.000 0.261 125 M C 2.352 178.679 176.300 0.044 0.000 1.066 125 M CA 1.704 56.958 55.300 -0.077 0.000 1.107 125 M CB -0.528 31.764 32.600 -0.513 0.000 1.356 125 M HN 0.049 nan 8.290 nan 0.000 0.406 126 G N 0.241 109.011 108.800 -0.051 0.000 2.442 126 G HA2 -0.206 3.754 3.960 0.000 0.000 0.219 126 G HA3 -0.206 3.754 3.960 0.000 0.000 0.219 126 G C 1.617 176.511 174.900 -0.009 0.000 1.141 126 G CA 0.579 45.656 45.100 -0.038 0.000 0.763 126 G HN 0.407 nan 8.290 nan 0.000 0.554 127 R N 0.287 120.775 120.500 -0.019 0.000 2.241 127 R HA -0.007 4.333 4.340 0.000 0.000 0.224 127 R C 1.837 178.145 176.300 0.013 0.000 1.101 127 R CA 0.767 56.854 56.100 -0.022 0.000 0.995 127 R CB 0.023 30.303 30.300 -0.033 0.000 0.870 127 R HN 0.306 nan 8.270 nan 0.000 0.463 128 E N 0.324 120.575 120.200 0.085 0.000 2.482 128 E HA 0.014 4.364 4.350 0.000 0.000 0.196 128 E C 0.252 176.877 176.600 0.042 0.000 1.047 128 E CA 0.578 57.025 56.400 0.079 0.000 0.869 128 E CB 0.267 30.070 29.700 0.171 0.000 0.836 128 E HN 0.358 nan 8.360 nan 0.000 0.520 129 I N 2.577 123.186 120.570 0.065 0.000 2.382 129 I HA 0.210 4.380 4.170 0.000 0.000 0.285 129 I C -2.458 173.659 176.117 0.000 0.000 1.007 129 I CA -2.429 58.904 61.300 0.056 0.000 1.142 129 I CB 1.643 39.746 38.000 0.172 0.000 1.289 129 I HN -0.347 nan 8.210 nan 0.000 0.453 130 P HA 0.121 nan 4.420 nan 0.000 0.267 130 P C 0.534 177.806 177.300 -0.048 0.000 1.205 130 P CA 0.146 63.175 63.100 -0.118 0.000 0.765 130 P CB 0.904 32.474 31.700 -0.216 0.000 0.828 131 S N 1.894 117.591 115.700 -0.006 0.000 2.400 131 S HA -0.163 4.307 4.470 0.000 0.000 0.232 131 S C 1.192 175.902 174.600 0.183 0.000 1.025 131 S CA 1.800 60.084 58.200 0.141 0.000 0.993 131 S CB -0.581 62.612 63.200 -0.013 0.000 0.808 131 S HN 0.678 nan 8.310 nan 0.000 0.478 132 D N 0.191 120.544 120.400 -0.077 0.000 2.349 132 D HA 0.316 4.956 4.640 0.000 0.000 0.214 132 D C 0.242 176.309 176.300 -0.388 0.000 1.063 132 D CA 0.255 54.161 54.000 -0.158 0.000 0.847 132 D CB 0.114 40.758 40.800 -0.260 0.000 0.933 132 D HN 0.253 nan 8.370 nan 0.000 0.513 133 A N 1.158 123.576 122.820 -0.670 0.000 3.330 133 A HA 0.357 4.677 4.320 0.000 0.000 0.256 133 A C -2.177 174.559 177.584 -1.414 0.000 1.185 133 A CA -0.766 50.357 52.037 -1.524 0.000 0.940 133 A CB 0.849 19.253 19.000 -0.993 0.000 1.397 133 A HN -0.110 nan 8.150 nan 0.000 0.678 134 P HA -0.172 nan 4.420 nan 0.000 0.219 134 P C 1.235 178.325 177.300 -0.349 0.000 1.146 134 P CA 1.447 64.225 63.100 -0.538 0.000 0.808 134 P CB -0.317 31.042 31.700 -0.569 0.000 0.779 135 W N 0.981 122.202 121.300 -0.131 0.000 2.721 135 W HA 0.108 4.768 4.660 0.000 0.000 0.245 135 W C 1.245 177.714 176.519 -0.085 0.000 1.276 135 W CA 0.375 57.665 57.345 -0.092 0.000 1.342 135 W CB -1.410 27.993 29.460 -0.094 0.000 1.135 135 W HN -0.104 nan 8.180 nan 0.000 0.654 136 K N 0.918 121.076 120.400 -0.402 0.000 2.404 136 K HA 0.302 4.622 4.320 0.000 0.000 0.194 136 K C 1.101 177.594 176.600 -0.178 0.000 1.023 136 K CA 0.230 56.386 56.287 -0.218 0.000 1.094 136 K CB -0.085 32.257 32.500 -0.263 0.000 0.841 136 K HN 0.102 nan 8.250 nan 0.000 0.523 137 A N 2.481 125.192 122.820 -0.181 0.000 2.565 137 A HA 0.045 4.365 4.320 0.000 0.000 0.237 137 A C -1.591 175.847 177.584 -0.245 0.000 1.053 137 A CA -0.910 51.013 52.037 -0.190 0.000 0.755 137 A CB 0.053 18.950 19.000 -0.170 0.000 0.980 137 A HN -0.003 nan 8.150 nan 0.000 0.506 138 P HA -0.125 nan 4.420 nan 0.000 0.216 138 P C 0.511 177.608 177.300 -0.339 0.000 1.150 138 P CA 1.224 64.176 63.100 -0.247 0.000 0.843 138 P CB 0.048 31.625 31.700 -0.206 0.000 0.787 139 L N -2.131 118.721 121.223 -0.618 0.000 2.984 139 L HA 0.339 4.679 4.340 0.000 0.000 0.246 139 L C 1.801 178.238 176.870 -0.722 0.000 1.268 139 L CA -0.329 54.054 54.840 -0.760 0.000 1.054 139 L CB -0.465 40.912 42.059 -1.137 0.000 1.393 139 L HN -0.097 nan 8.230 nan 0.000 0.532 140 A N 1.320 123.906 122.820 -0.390 0.000 1.883 140 A HA -0.245 4.075 4.320 0.000 0.000 0.217 140 A C 2.267 179.831 177.584 -0.033 0.000 1.186 140 A CA 2.121 54.066 52.037 -0.152 0.000 0.624 140 A CB -0.230 18.744 19.000 -0.043 0.000 0.822 140 A HN 0.676 nan 8.150 nan 0.000 0.444 141 E N -0.209 119.962 120.200 -0.047 0.000 2.051 141 E HA -0.243 4.108 4.350 0.000 0.000 0.192 141 E C 1.937 178.568 176.600 0.051 0.000 0.991 141 E CA 1.388 57.798 56.400 0.017 0.000 0.799 141 E CB -0.489 29.213 29.700 0.004 0.000 0.748 141 E HN 0.718 nan 8.360 nan 0.000 0.449 142 E N -0.196 120.005 120.200 0.001 0.000 2.077 142 E HA -0.181 4.169 4.350 0.000 0.000 0.193 142 E C 1.483 178.259 176.600 0.294 0.000 0.989 142 E CA 1.388 57.847 56.400 0.099 0.000 0.800 142 E CB -0.091 29.640 29.700 0.051 0.000 0.746 142 E HN 0.460 nan 8.360 nan 0.000 0.452 143 W N 0.837 122.179 121.300 0.071 0.000 2.436 143 W HA -0.021 4.639 4.660 0.000 0.000 0.284 143 W C 1.850 178.440 176.519 0.119 0.000 1.225 143 W CA 0.583 57.983 57.345 0.092 0.000 1.271 143 W CB -0.907 28.608 29.460 0.092 0.000 1.114 143 W HN 0.193 nan 8.180 nan 0.000 0.559 144 D N -0.301 120.302 120.400 0.339 0.000 2.277 144 D HA -0.115 4.525 4.640 0.000 0.000 0.208 144 D C 1.276 177.705 176.300 0.215 0.000 0.962 144 D CA 0.884 55.047 54.000 0.271 0.000 0.865 144 D CB -0.198 40.735 40.800 0.222 0.000 0.939 144 D HN -0.126 nan 8.370 nan 0.000 0.510 145 N N -0.488 118.323 118.700 0.185 0.000 2.449 145 N HA 0.099 4.839 4.740 0.000 0.000 0.191 145 N C -0.235 175.356 175.510 0.135 0.000 1.161 145 N CA 0.273 53.407 53.050 0.141 0.000 0.863 145 N CB 0.204 38.758 38.487 0.110 0.000 0.980 145 N HN 0.322 nan 8.380 nan 0.000 0.458 146 M N -0.496 119.200 119.600 0.160 0.000 2.602 146 M HA 0.239 4.719 4.480 0.000 0.000 0.312 146 M C 0.166 176.546 176.300 0.133 0.000 1.181 146 M CA -0.713 54.665 55.300 0.130 0.000 0.910 146 M CB 2.227 34.907 32.600 0.133 0.000 1.723 146 M HN -0.056 nan 8.290 nan 0.000 0.459 147 T N -1.087 113.527 114.554 0.099 0.000 2.847 147 T HA 0.274 4.624 4.350 0.000 0.000 0.279 147 T C 1.183 175.920 174.700 0.060 0.000 0.984 147 T CA -0.860 61.294 62.100 0.091 0.000 0.988 147 T CB 0.813 69.723 68.868 0.070 0.000 1.040 147 T HN 0.599 nan 8.240 nan 0.000 0.528 148 M N 0.267 119.886 119.600 0.031 0.000 2.144 148 M HA -0.067 4.413 4.480 0.000 0.000 0.260 148 M C 2.143 178.409 176.300 -0.056 0.000 1.067 148 M CA 1.779 57.057 55.300 -0.037 0.000 1.095 148 M CB -1.437 31.055 32.600 -0.180 0.000 1.365 148 M HN 0.857 nan 8.290 nan 0.000 0.406 149 K N 0.789 121.163 120.400 -0.043 0.000 2.026 149 K HA -0.159 4.161 4.320 0.000 0.000 0.208 149 K C 1.692 178.273 176.600 -0.031 0.000 1.048 149 K CA 1.732 57.998 56.287 -0.036 0.000 0.929 149 K CB -0.126 32.384 32.500 0.018 0.000 0.713 149 K HN 0.409 nan 8.250 nan 0.000 0.439 150 E N 0.075 120.271 120.200 -0.007 0.000 2.077 150 E HA -0.194 4.156 4.350 0.000 0.000 0.193 150 E C 1.958 178.549 176.600 -0.016 0.000 0.989 150 E CA 1.210 57.605 56.400 -0.008 0.000 0.800 150 E CB -0.220 29.491 29.700 0.018 0.000 0.746 150 E HN 0.215 nan 8.360 nan 0.000 0.452 151 L N 1.154 122.371 121.223 -0.010 0.000 2.046 151 L HA -0.159 4.181 4.340 0.000 0.000 0.208 151 L C 2.028 178.882 176.870 -0.027 0.000 1.077 151 L CA 1.536 56.364 54.840 -0.021 0.000 0.747 151 L CB -0.335 41.706 42.059 -0.031 0.000 0.896 151 L HN 0.117 nan 8.230 nan 0.000 0.432 152 L N -0.776 120.419 121.223 -0.047 0.000 2.046 152 L HA -0.211 4.129 4.340 0.000 0.000 0.208 152 L C 2.198 179.000 176.870 -0.113 0.000 1.077 152 L CA 1.299 56.081 54.840 -0.097 0.000 0.747 152 L CB -0.954 41.007 42.059 -0.163 0.000 0.896 152 L HN 0.268 nan 8.230 nan 0.000 0.432 153 D N 0.134 120.474 120.400 -0.100 0.000 2.178 153 D HA -0.193 4.447 4.640 0.000 0.000 0.201 153 D C 2.129 178.344 176.300 -0.142 0.000 0.980 153 D CA 1.167 55.094 54.000 -0.123 0.000 0.842 153 D CB 0.011 40.752 40.800 -0.099 0.000 0.948 153 D HN 0.310 nan 8.370 nan 0.000 0.472 154 K N 0.081 120.428 120.400 -0.088 0.000 2.243 154 K HA 0.045 4.365 4.320 0.000 0.000 0.201 154 K C 1.993 178.594 176.600 0.001 0.000 1.051 154 K CA 0.261 56.509 56.287 -0.064 0.000 0.970 154 K CB 0.210 32.701 32.500 -0.014 0.000 0.755 154 K HN 0.097 nan 8.250 nan 0.000 0.465 155 L N 0.607 121.843 121.223 0.023 0.000 2.253 155 L HA 0.106 4.446 4.340 0.000 0.000 0.205 155 L C 0.341 177.323 176.870 0.187 0.000 1.078 155 L CA -0.118 54.794 54.840 0.120 0.000 0.805 155 L CB 0.546 42.661 42.059 0.095 0.000 0.963 155 L HN 0.163 nan 8.230 nan 0.000 0.459 156 C N -0.378 118.936 119.300 0.025 0.000 2.325 156 C HA 0.114 4.574 4.460 0.000 0.000 0.347 156 C C 0.642 175.655 174.990 0.037 0.000 1.263 156 C CA -0.852 58.162 59.018 -0.007 0.000 1.806 156 C CB -0.525 27.091 27.740 -0.208 0.000 2.405 156 C HN 0.476 nan 8.230 nan 0.000 0.537 157 W N 1.887 123.132 121.300 -0.093 0.000 3.278 157 W HA 0.172 4.832 4.660 0.000 0.000 0.308 157 W C 1.319 177.809 176.519 -0.048 0.000 1.253 157 W CA 0.007 57.317 57.345 -0.058 0.000 1.759 157 W CB -0.145 29.292 29.460 -0.038 0.000 1.093 157 W HN 0.707 nan 8.180 nan 0.000 0.648 158 T N -3.937 110.678 114.554 0.102 0.000 2.907 158 T HA 0.306 4.656 4.350 0.000 0.000 0.292 158 T C 0.795 175.481 174.700 -0.022 0.000 1.043 158 T CA -0.612 61.519 62.100 0.053 0.000 1.003 158 T CB 2.674 71.600 68.868 0.096 0.000 1.084 158 T HN -0.250 nan 8.240 nan 0.000 0.483 159 E N 0.943 121.135 120.200 -0.013 0.000 2.106 159 E HA -0.098 4.252 4.350 0.000 0.000 0.192 159 E C 2.148 178.732 176.600 -0.027 0.000 0.984 159 E CA 1.278 57.658 56.400 -0.034 0.000 0.806 159 E CB -0.395 29.298 29.700 -0.013 0.000 0.750 159 E HN 0.732 nan 8.360 nan 0.000 0.458 160 S N 0.498 116.218 115.700 0.034 0.000 2.359 160 S HA -0.191 4.279 4.470 0.000 0.000 0.224 160 S C 2.063 176.664 174.600 0.001 0.000 1.035 160 S CA 1.629 59.898 58.200 0.115 0.000 1.018 160 S CB -0.079 63.266 63.200 0.241 0.000 0.876 160 S HN 0.295 nan 8.310 nan 0.000 0.448 161 A N 1.228 123.906 122.820 -0.237 0.000 1.898 161 A HA -0.013 4.307 4.320 0.000 0.000 0.216 161 A C 2.178 179.402 177.584 -0.600 0.000 1.181 161 A CA 1.679 53.252 52.037 -0.772 0.000 0.620 161 A CB -0.718 17.840 19.000 -0.737 0.000 0.819 161 A HN 0.635 nan 8.150 nan 0.000 0.442 162 K N -0.789 119.382 120.400 -0.381 0.000 2.063 162 K HA -0.238 4.082 4.320 0.000 0.000 0.208 162 K C 2.248 178.692 176.600 -0.260 0.000 1.048 162 K CA 1.885 57.968 56.287 -0.341 0.000 0.928 162 K CB -0.135 32.236 32.500 -0.215 0.000 0.713 162 K HN 0.509 nan 8.250 nan 0.000 0.442 163 Q N 0.337 120.047 119.800 -0.151 0.000 2.079 163 Q HA -0.110 4.230 4.340 0.000 0.000 0.200 163 Q C 1.966 177.963 176.000 -0.006 0.000 0.974 163 Q CA 1.064 56.839 55.803 -0.047 0.000 0.840 163 Q CB -0.066 28.687 28.738 0.026 0.000 0.898 163 Q HN 0.219 nan 8.270 nan 0.000 0.430 164 L N 0.050 121.259 121.223 -0.024 0.000 2.017 164 L HA -0.113 4.227 4.340 0.000 0.000 0.208 164 L C 2.037 178.916 176.870 0.015 0.000 1.073 164 L CA 2.191 57.072 54.840 0.067 0.000 0.745 164 L CB -1.017 41.108 42.059 0.109 0.000 0.894 164 L HN 0.227 nan 8.230 nan 0.000 0.432 165 A N -1.752 120.857 122.820 -0.352 0.000 1.908 165 A HA -0.245 4.075 4.320 0.000 0.000 0.218 165 A C 2.283 179.817 177.584 -0.083 0.000 1.181 165 A CA 2.459 54.227 52.037 -0.447 0.000 0.627 165 A CB -1.249 16.987 19.000 -1.273 0.000 0.818 165 A HN 0.511 nan 8.150 nan 0.000 0.445 166 T N 0.010 114.490 114.554 -0.123 0.000 2.708 166 T HA -0.138 4.212 4.350 0.000 0.000 0.266 166 T C 1.864 176.575 174.700 0.019 0.000 1.037 166 T CA 1.442 63.500 62.100 -0.070 0.000 1.146 166 T CB -0.394 68.438 68.868 -0.060 0.000 0.865 166 T HN 0.396 nan 8.240 nan 0.000 0.435 167 L N 0.133 121.418 121.223 0.103 0.000 2.046 167 L HA -0.059 4.281 4.340 0.000 0.000 0.208 167 L C 2.236 179.246 176.870 0.233 0.000 1.077 167 L CA 1.474 56.417 54.840 0.173 0.000 0.747 167 L CB -0.371 41.831 42.059 0.239 0.000 0.896 167 L HN 0.225 nan 8.230 nan 0.000 0.432 168 F N -0.302 119.745 119.950 0.162 0.000 2.095 168 F HA -0.227 4.300 4.527 0.000 0.000 0.298 168 F C 2.086 178.005 175.800 0.199 0.000 1.104 168 F CA 2.027 60.183 58.000 0.260 0.000 1.232 168 F CB -0.666 38.616 39.000 0.469 0.000 0.987 168 F HN -0.136 nan 8.300 nan 0.000 0.475 169 V N 1.100 120.942 119.914 -0.120 0.000 2.295 169 V HA -0.361 3.759 4.120 0.000 0.000 0.246 169 V C 2.041 177.980 176.094 -0.257 0.000 1.049 169 V CA 2.484 64.503 62.300 -0.468 0.000 1.024 169 V CB -1.086 30.335 31.823 -0.670 0.000 0.648 169 V HN 0.417 nan 8.190 nan 0.000 0.447 170 N N 0.027 118.641 118.700 -0.143 0.000 2.149 170 N HA -0.195 4.545 4.740 0.000 0.000 0.188 170 N C 1.720 177.181 175.510 -0.082 0.000 1.019 170 N CA 1.279 54.266 53.050 -0.106 0.000 0.857 170 N CB -0.171 38.301 38.487 -0.025 0.000 0.997 170 N HN 0.374 nan 8.380 nan 0.000 0.426 171 L N 0.456 121.663 121.223 -0.026 0.000 2.095 171 L HA 0.054 4.394 4.340 0.000 0.000 0.204 171 L C 1.966 178.857 176.870 0.035 0.000 1.080 171 L CA 1.357 56.202 54.840 0.008 0.000 0.759 171 L CB -0.519 41.559 42.059 0.031 0.000 0.914 171 L HN 0.167 nan 8.230 nan 0.000 0.439 172 C N -1.035 118.255 119.300 -0.016 0.000 2.446 172 C HA -0.030 4.430 4.460 0.000 0.000 0.277 172 C C 2.223 177.311 174.990 0.163 0.000 1.275 172 C CA 1.051 60.126 59.018 0.096 0.000 1.727 172 C CB -0.610 27.131 27.740 0.002 0.000 2.010 172 C HN 0.585 nan 8.230 nan 0.000 0.486 173 V N -2.215 117.694 119.914 -0.008 0.000 3.276 173 V HA 0.314 4.434 4.120 0.000 0.000 0.319 173 V C 0.777 176.736 176.094 -0.225 0.000 1.476 173 V CA 0.799 63.059 62.300 -0.066 0.000 1.097 173 V CB -1.289 30.617 31.823 0.137 0.000 0.988 173 V HN 0.525 nan 8.190 nan 0.000 0.473 174 T N -1.687 112.660 114.554 -0.345 0.000 3.897 174 T HA -0.093 4.257 4.350 0.000 0.000 0.353 174 T C 0.122 174.666 174.700 -0.260 0.000 0.758 174 T CA 1.482 63.363 62.100 -0.364 0.000 1.883 174 T CB -2.545 65.981 68.868 -0.570 0.000 1.849 174 T HN 2.470 nan 8.240 nan 0.000 0.791 175 A N -0.454 122.194 122.820 -0.287 0.000 2.593 175 A HA 0.754 5.074 4.320 0.000 0.000 0.290 175 A C -0.429 176.943 177.584 -0.353 0.000 1.126 175 A CA -1.034 50.767 52.037 -0.394 0.000 0.695 175 A CB 1.204 19.734 19.000 -0.784 0.000 1.290 175 A HN 0.341 nan 8.150 nan 0.000 0.414 176 E N 0.429 120.380 120.200 -0.415 0.000 2.349 176 E HA 0.249 4.599 4.350 0.000 0.000 0.262 176 E C 1.272 177.567 176.600 -0.507 0.000 1.088 176 E CA 0.537 56.663 56.400 -0.457 0.000 0.899 176 E CB 0.924 30.167 29.700 -0.762 0.000 1.044 176 E HN 0.801 nan 8.360 nan 0.000 0.420 177 T N -1.329 112.994 114.554 -0.385 0.000 2.833 177 T HA -0.202 4.148 4.350 0.000 0.000 0.269 177 T C 1.430 175.997 174.700 -0.222 0.000 1.054 177 T CA 1.658 63.587 62.100 -0.284 0.000 1.135 177 T CB -0.385 68.370 68.868 -0.188 0.000 0.869 177 T HN 0.619 nan 8.240 nan 0.000 0.466 178 H N 0.698 119.708 119.070 -0.100 0.000 2.555 178 H HA 0.236 4.792 4.556 0.000 0.000 0.269 178 H C 1.418 176.713 175.328 -0.054 0.000 0.988 178 H CA 0.871 56.879 56.048 -0.066 0.000 1.178 178 H CB -0.194 29.532 29.762 -0.061 0.000 1.373 178 H HN 0.538 nan 8.280 nan 0.000 0.588 179 E N 1.376 121.397 120.200 -0.298 0.000 2.276 179 E HA 0.056 4.406 4.350 0.000 0.000 0.193 179 E C 0.837 177.382 176.600 -0.092 0.000 0.983 179 E CA 0.386 56.678 56.400 -0.179 0.000 0.861 179 E CB 0.844 30.305 29.700 -0.398 0.000 0.817 179 E HN 0.343 nan 8.360 nan 0.000 0.485 180 V N -0.557 119.287 119.914 -0.116 0.000 2.547 180 V HA 0.391 4.511 4.120 0.000 0.000 0.299 180 V C 0.067 176.286 176.094 0.208 0.000 1.040 180 V CA -1.146 61.198 62.300 0.073 0.000 0.913 180 V CB 1.814 33.716 31.823 0.132 0.000 0.992 180 V HN -0.010 nan 8.190 nan 0.000 0.449 181 S N 3.668 119.566 115.700 0.330 0.000 2.552 181 S HA 0.387 4.857 4.470 0.000 0.000 0.289 181 S C 1.463 176.312 174.600 0.415 0.000 1.304 181 S CA 0.201 58.617 58.200 0.360 0.000 1.063 181 S CB 0.826 64.283 63.200 0.429 0.000 0.848 181 S HN 1.751 nan 8.310 nan 0.000 0.499 182 A N 5.098 128.096 122.820 0.297 0.000 1.877 182 A HA -0.047 4.273 4.320 0.000 0.000 0.216 182 A C 2.042 179.810 177.584 0.307 0.000 1.186 182 A CA 1.662 53.853 52.037 0.256 0.000 0.620 182 A CB -0.974 18.099 19.000 0.121 0.000 0.822 182 A HN 0.960 nan 8.150 nan 0.000 0.443 183 L N -1.463 119.985 121.223 0.376 0.000 2.013 183 L HA -0.184 4.156 4.340 0.000 0.000 0.212 183 L C 2.227 179.342 176.870 0.407 0.000 1.073 183 L CA 2.599 57.695 54.840 0.427 0.000 0.753 183 L CB -0.826 41.486 42.059 0.423 0.000 0.890 183 L HN 0.664 nan 8.230 nan 0.000 0.432 184 W N -0.670 120.799 121.300 0.281 0.000 2.358 184 W HA -0.284 4.376 4.660 0.000 0.000 0.303 184 W C 2.379 179.161 176.519 0.439 0.000 1.208 184 W CA 1.930 59.464 57.345 0.314 0.000 1.274 184 W CB -0.637 28.988 29.460 0.275 0.000 1.138 184 W HN 0.301 nan 8.180 nan 0.000 0.515 185 F N 0.638 120.680 119.950 0.153 0.000 2.146 185 F HA -0.147 4.380 4.527 0.000 0.000 0.298 185 F C 2.043 177.772 175.800 -0.118 0.000 1.096 185 F CA 2.003 59.902 58.000 -0.169 0.000 1.275 185 F CB -0.698 38.339 39.000 0.061 0.000 1.008 185 F HN -0.169 nan 8.300 nan 0.000 0.480 186 L N -1.286 119.918 121.223 -0.031 0.000 2.093 186 L HA -0.202 4.138 4.340 0.000 0.000 0.208 186 L C 2.304 179.089 176.870 -0.142 0.000 1.085 186 L CA 1.573 56.345 54.840 -0.114 0.000 0.755 186 L CB -0.961 41.079 42.059 -0.033 0.000 0.904 186 L HN 0.448 nan 8.230 nan 0.000 0.435 187 W N 0.068 121.241 121.300 -0.213 0.000 2.355 187 W HA -0.318 4.342 4.660 0.000 0.000 0.309 187 W C 2.626 178.931 176.519 -0.357 0.000 1.206 187 W CA 1.634 58.838 57.345 -0.235 0.000 1.284 187 W CB -0.665 28.688 29.460 -0.179 0.000 1.145 187 W HN 0.133 nan 8.180 nan 0.000 0.502 188 Y N 0.590 120.413 120.300 -0.795 0.000 2.165 188 Y HA -0.274 4.276 4.550 0.000 0.000 0.286 188 Y C 2.327 177.667 175.900 -0.932 0.000 1.155 188 Y CA 2.930 60.345 58.100 -1.141 0.000 1.164 188 Y CB -0.779 36.984 38.460 -1.161 0.000 0.978 188 Y HN -0.137 nan 8.280 nan 0.000 0.513 189 V N 0.941 120.413 119.914 -0.737 0.000 2.358 189 V HA -0.284 3.836 4.120 0.000 0.000 0.246 189 V C 2.296 178.049 176.094 -0.568 0.000 1.047 189 V CA 2.243 64.189 62.300 -0.590 0.000 1.035 189 V CB -0.743 30.818 31.823 -0.438 0.000 0.658 189 V HN 0.422 nan 8.190 nan 0.000 0.452 190 K N 2.174 122.261 120.400 -0.521 0.000 2.097 190 K HA -0.246 4.074 4.320 0.000 0.000 0.206 190 K C 1.910 178.177 176.600 -0.555 0.000 1.049 190 K CA 2.146 58.171 56.287 -0.437 0.000 0.933 190 K CB -0.569 31.758 32.500 -0.288 0.000 0.717 190 K HN 0.597 nan 8.250 nan 0.000 0.442 191 Q N -0.598 118.721 119.800 -0.803 0.000 2.472 191 Q HA 0.075 4.415 4.340 0.000 0.000 0.208 191 Q C 1.078 176.575 176.000 -0.839 0.000 0.958 191 Q CA 1.028 56.370 55.803 -0.768 0.000 0.932 191 Q CB -0.475 27.648 28.738 -1.024 0.000 1.007 191 Q HN 0.313 nan 8.270 nan 0.000 0.508 192 C N 0.273 118.922 119.300 -1.085 0.000 2.673 192 C HA 0.614 5.074 4.460 0.000 0.000 0.274 192 C C 1.567 175.789 174.990 -1.280 0.000 1.276 192 C CA 0.156 58.153 59.018 -1.702 0.000 1.701 192 C CB -0.954 25.746 27.740 -1.733 0.000 1.836 192 C HN 0.837 nan 8.230 nan 0.000 0.596 193 G N 0.048 108.438 108.800 -0.684 0.000 2.176 193 G HA2 0.273 4.233 3.960 0.000 0.000 0.232 193 G HA3 0.273 4.233 3.960 0.000 0.000 0.232 193 G C 0.474 175.200 174.900 -0.290 0.000 0.986 193 G CA 0.012 44.882 45.100 -0.384 0.000 0.643 193 G HN 1.665 nan 8.290 nan 0.000 0.522 194 G N -2.093 106.511 108.800 -0.327 0.000 2.525 194 G HA2 0.343 4.303 3.960 0.000 0.000 0.685 194 G HA3 0.343 4.303 3.960 0.000 0.000 0.685 194 G C 0.979 175.810 174.900 -0.114 0.000 1.290 194 G CA 0.979 45.959 45.100 -0.201 0.000 0.915 194 G HN 1.819 nan 8.290 nan 0.000 0.548 195 T N -2.911 111.625 114.554 -0.030 0.000 2.708 195 T HA -0.102 4.248 4.350 0.000 0.000 0.266 195 T C 2.361 177.049 174.700 -0.020 0.000 1.037 195 T CA 2.952 65.085 62.100 0.055 0.000 1.146 195 T CB -0.841 68.084 68.868 0.096 0.000 0.865 195 T HN 0.975 nan 8.240 nan 0.000 0.435 196 T N 1.443 115.966 114.554 -0.051 0.000 2.708 196 T HA -0.042 4.308 4.350 0.000 0.000 0.266 196 T C 2.116 176.766 174.700 -0.082 0.000 1.037 196 T CA 1.507 63.547 62.100 -0.101 0.000 1.146 196 T CB -0.336 68.493 68.868 -0.065 0.000 0.865 196 T HN 0.304 nan 8.240 nan 0.000 0.435 197 R N 0.981 121.446 120.500 -0.058 0.000 2.081 197 R HA 0.109 4.449 4.340 0.000 0.000 0.235 197 R C 2.191 178.517 176.300 0.044 0.000 1.131 197 R CA 1.233 57.325 56.100 -0.012 0.000 0.960 197 R CB -0.855 29.414 30.300 -0.052 0.000 0.856 197 R HN 0.484 nan 8.270 nan 0.000 0.436 198 I N 0.298 120.863 120.570 -0.008 0.000 2.406 198 I HA -0.134 4.036 4.170 0.000 0.000 0.249 198 I C 1.797 178.000 176.117 0.143 0.000 1.122 198 I CA 1.108 62.453 61.300 0.076 0.000 1.431 198 I CB 0.020 38.025 38.000 0.008 0.000 1.087 198 I HN 0.336 nan 8.210 nan 0.000 0.424 199 I N -1.973 118.654 120.570 0.096 0.000 2.928 199 I HA 0.039 4.209 4.170 0.000 0.000 0.266 199 I C 0.944 177.030 176.117 -0.052 0.000 1.234 199 I CA 0.149 61.470 61.300 0.035 0.000 1.483 199 I CB -0.268 37.688 38.000 -0.074 0.000 1.097 199 I HN -0.038 nan 8.210 nan 0.000 0.455 200 S N 0.991 116.650 115.700 -0.068 0.000 2.652 200 S HA 0.308 4.778 4.470 0.000 0.000 0.270 200 S C 0.884 175.451 174.600 -0.055 0.000 1.243 200 S CA -0.278 57.868 58.200 -0.091 0.000 0.999 200 S CB 1.805 64.943 63.200 -0.103 0.000 0.973 200 S HN 0.283 nan 8.310 nan 0.000 0.544 201 T N 1.583 116.102 114.554 -0.059 0.000 3.207 201 T HA 0.056 4.406 4.350 0.000 0.000 0.229 201 T C 0.479 175.142 174.700 -0.062 0.000 0.999 201 T CA 0.502 62.561 62.100 -0.067 0.000 1.386 201 T CB -0.481 68.349 68.868 -0.062 0.000 1.130 201 T HN 0.619 nan 8.240 nan 0.000 0.435 202 T N 3.645 118.167 114.554 -0.054 0.000 2.866 202 T HA 0.077 4.427 4.350 0.000 0.000 0.293 202 T C 0.748 175.421 174.700 -0.045 0.000 1.005 202 T CA 0.463 62.536 62.100 -0.045 0.000 1.162 202 T CB -0.201 68.644 68.868 -0.038 0.000 0.968 202 T HN 0.522 nan 8.240 nan 0.000 0.530 203 N N 0.650 119.327 118.700 -0.039 0.000 2.800 203 N HA -0.151 4.589 4.740 0.000 0.000 0.250 203 N C 0.189 175.688 175.510 -0.018 0.000 1.078 203 N CA 1.541 54.574 53.050 -0.028 0.000 0.804 203 N CB -1.059 37.413 38.487 -0.025 0.000 1.135 203 N HN 0.962 nan 8.380 nan 0.000 0.565 204 G N -3.239 105.546 108.800 -0.026 0.000 3.086 204 G HA2 0.558 4.519 3.960 0.000 0.000 0.282 204 G HA3 0.558 4.519 3.960 0.000 0.000 0.282 204 G C 1.055 175.939 174.900 -0.027 0.000 1.343 204 G CA 0.037 45.144 45.100 0.011 0.000 0.895 204 G HN 0.295 nan 8.290 nan 0.000 0.557 205 G N -0.716 108.110 108.800 0.044 0.000 2.507 205 G HA2 -0.145 3.815 3.960 0.000 0.000 0.221 205 G HA3 -0.145 3.815 3.960 0.000 0.000 0.221 205 G C 1.271 176.110 174.900 -0.101 0.000 1.119 205 G CA 1.267 46.309 45.100 -0.097 0.000 0.751 205 G HN 0.442 nan 8.290 nan 0.000 0.574 206 Q N -0.510 119.232 119.800 -0.096 0.000 2.204 206 Q HA 0.284 4.625 4.340 0.000 0.000 0.209 206 Q C 1.769 177.695 176.000 -0.123 0.000 0.861 206 Q CA -0.064 55.621 55.803 -0.197 0.000 0.971 206 Q CB 0.645 29.170 28.738 -0.354 0.000 1.095 206 Q HN 0.649 nan 8.270 nan 0.000 0.486 207 E N 0.446 120.587 120.200 -0.098 0.000 2.077 207 E HA -0.093 4.257 4.350 0.000 0.000 0.193 207 E C 0.012 176.553 176.600 -0.098 0.000 0.989 207 E CA 0.825 57.171 56.400 -0.090 0.000 0.800 207 E CB 0.424 30.066 29.700 -0.096 0.000 0.746 207 E HN 0.172 nan 8.360 nan 0.000 0.452 208 R N -0.878 119.539 120.500 -0.137 0.000 2.888 208 R HA 0.479 4.819 4.340 0.000 0.000 0.264 208 R C -0.971 175.113 176.300 -0.360 0.000 1.045 208 R CA -0.737 55.199 56.100 -0.273 0.000 0.962 208 R CB 1.944 32.058 30.300 -0.310 0.000 1.210 208 R HN -0.180 nan 8.270 nan 0.000 0.479 209 K N 0.474 120.483 120.400 -0.651 0.000 2.444 209 K HA 0.430 4.750 4.320 0.000 0.000 0.252 209 K C -1.178 175.066 176.600 -0.592 0.000 0.993 209 K CA -0.696 55.203 56.287 -0.648 0.000 0.847 209 K CB 1.572 33.729 32.500 -0.572 0.000 1.340 209 K HN 0.234 nan 8.250 nan 0.000 0.446 210 F N 1.026 120.900 119.950 -0.127 0.000 2.412 210 F HA 0.153 4.680 4.527 0.000 0.000 0.348 210 F C 0.501 176.363 175.800 0.102 0.000 1.102 210 F CA -0.921 57.061 58.000 -0.029 0.000 1.196 210 F CB 0.912 39.877 39.000 -0.060 0.000 1.144 210 F HN 0.009 nan 8.300 nan 0.000 0.541 211 V N 3.658 123.782 119.914 0.351 0.000 2.493 211 V HA 0.218 4.338 4.120 0.000 0.000 0.292 211 V C 0.937 176.960 176.094 -0.117 0.000 1.016 211 V CA 1.311 63.748 62.300 0.229 0.000 1.097 211 V CB 0.052 31.978 31.823 0.173 0.000 0.947 211 V HN 1.112 nan 8.190 nan 0.000 0.479 212 G N 3.319 111.694 108.800 -0.708 0.000 2.194 212 G HA2 0.157 4.117 3.960 0.000 0.000 0.236 212 G HA3 0.157 4.117 3.960 0.000 0.000 0.236 212 G C 0.752 175.113 174.900 -0.897 0.000 0.987 212 G CA -0.124 44.219 45.100 -1.262 0.000 0.635 212 G HN 2.405 nan 8.290 nan 0.000 0.520 213 G N -1.359 107.242 108.800 -0.331 0.000 2.674 213 G HA2 0.384 4.344 3.960 0.000 0.000 0.686 213 G HA3 0.384 4.344 3.960 0.000 0.000 0.686 213 G C 0.790 175.704 174.900 0.024 0.000 1.195 213 G CA 0.856 45.944 45.100 -0.019 0.000 0.776 213 G HN 1.869 nan 8.290 nan 0.000 0.654 214 S N 0.098 115.864 115.700 0.111 0.000 2.481 214 S HA 0.129 4.599 4.470 0.000 0.000 0.231 214 S C 2.485 177.072 174.600 -0.022 0.000 0.996 214 S CA 1.651 59.912 58.200 0.101 0.000 0.942 214 S CB 0.026 63.346 63.200 0.201 0.000 0.768 214 S HN 2.145 nan 8.310 nan 0.000 0.520 215 G N 1.254 110.055 108.800 0.001 0.000 2.470 215 G HA2 -0.139 3.821 3.960 0.000 0.000 0.220 215 G HA3 -0.139 3.821 3.960 0.000 0.000 0.220 215 G C 1.432 176.307 174.900 -0.041 0.000 1.121 215 G CA 0.497 45.604 45.100 0.012 0.000 0.766 215 G HN 0.631 nan 8.290 nan 0.000 0.553 216 Q N -0.172 119.568 119.800 -0.099 0.000 2.226 216 Q HA -0.051 4.289 4.340 0.000 0.000 0.204 216 Q C 2.723 178.632 176.000 -0.151 0.000 0.975 216 Q CA 0.915 56.641 55.803 -0.128 0.000 0.866 216 Q CB -0.163 28.473 28.738 -0.171 0.000 0.915 216 Q HN 0.422 nan 8.270 nan 0.000 0.440 217 V N 0.336 120.130 119.914 -0.200 0.000 2.233 217 V HA -0.306 3.814 4.120 0.000 0.000 0.247 217 V C 2.156 178.187 176.094 -0.105 0.000 1.050 217 V CA 2.173 64.356 62.300 -0.196 0.000 1.010 217 V CB -0.645 31.042 31.823 -0.226 0.000 0.637 217 V HN 0.300 nan 8.190 nan 0.000 0.444 218 S N -0.820 114.842 115.700 -0.063 0.000 2.383 218 S HA -0.195 4.275 4.470 0.000 0.000 0.227 218 S C 1.915 176.495 174.600 -0.033 0.000 1.026 218 S CA 1.523 59.704 58.200 -0.031 0.000 0.981 218 S CB -0.263 62.939 63.200 0.005 0.000 0.818 218 S HN 0.697 nan 8.310 nan 0.000 0.472 219 E N 0.996 121.175 120.200 -0.034 0.000 2.051 219 E HA -0.113 4.237 4.350 0.000 0.000 0.192 219 E C 2.396 178.967 176.600 -0.048 0.000 0.991 219 E CA 0.918 57.299 56.400 -0.032 0.000 0.799 219 E CB -0.104 29.579 29.700 -0.028 0.000 0.748 219 E HN 0.344 nan 8.360 nan 0.000 0.449 220 R N 0.413 120.874 120.500 -0.065 0.000 2.081 220 R HA -0.112 4.228 4.340 0.000 0.000 0.235 220 R C 2.435 178.698 176.300 -0.062 0.000 1.131 220 R CA 1.216 57.276 56.100 -0.066 0.000 0.960 220 R CB -0.349 29.902 30.300 -0.081 0.000 0.856 220 R HN 0.208 nan 8.270 nan 0.000 0.436 221 I N 0.633 121.164 120.570 -0.064 0.000 2.208 221 I HA -0.343 3.827 4.170 0.000 0.000 0.245 221 I C 2.701 178.775 176.117 -0.072 0.000 1.097 221 I CA 1.330 62.591 61.300 -0.064 0.000 1.363 221 I CB -0.267 37.700 38.000 -0.056 0.000 1.051 221 I HN 0.255 nan 8.210 nan 0.000 0.413 222 M N 0.912 120.476 119.600 -0.059 0.000 2.108 222 M HA -0.271 4.209 4.480 0.000 0.000 0.261 222 M C 1.701 177.963 176.300 -0.062 0.000 1.066 222 M CA 2.016 57.281 55.300 -0.059 0.000 1.107 222 M CB -0.244 32.333 32.600 -0.039 0.000 1.356 222 M HN 0.158 nan 8.290 nan 0.000 0.406 223 D N 0.672 121.040 120.400 -0.054 0.000 2.104 223 D HA -0.174 4.466 4.640 0.000 0.000 0.194 223 D C 2.046 178.311 176.300 -0.058 0.000 0.994 223 D CA 1.547 55.519 54.000 -0.048 0.000 0.830 223 D CB -0.564 40.213 40.800 -0.039 0.000 0.959 223 D HN 0.440 nan 8.370 nan 0.000 0.452 224 L N 0.161 121.341 121.223 -0.071 0.000 2.083 224 L HA -0.117 4.223 4.340 0.000 0.000 0.209 224 L C 2.408 179.173 176.870 -0.174 0.000 1.083 224 L CA 0.649 55.438 54.840 -0.085 0.000 0.752 224 L CB -0.268 41.748 42.059 -0.072 0.000 0.899 224 L HN 0.029 nan 8.230 nan 0.000 0.433 225 L N -1.031 120.066 121.223 -0.210 0.000 2.492 225 L HA 0.099 4.439 4.340 0.000 0.000 0.223 225 L C 1.799 178.570 176.870 -0.165 0.000 1.132 225 L CA 0.377 55.039 54.840 -0.296 0.000 0.850 225 L CB -0.875 41.044 42.059 -0.232 0.000 0.966 225 L HN 0.437 nan 8.230 nan 0.000 0.454 226 G N 2.001 110.742 108.800 -0.099 0.000 2.660 226 G HA2 -0.467 3.493 3.960 0.000 0.000 0.321 226 G HA3 -0.467 3.493 3.960 0.000 0.000 0.321 226 G C 0.681 175.556 174.900 -0.041 0.000 1.246 226 G CA 0.647 45.716 45.100 -0.052 0.000 1.000 226 G HN 0.537 nan 8.290 nan 0.000 0.550 227 D N 1.137 121.524 120.400 -0.022 0.000 2.336 227 D HA 0.051 4.691 4.640 0.000 0.000 0.229 227 D C 2.072 178.370 176.300 -0.004 0.000 1.061 227 D CA 0.467 54.463 54.000 -0.007 0.000 0.875 227 D CB -0.289 40.516 40.800 0.008 0.000 0.904 227 D HN 0.610 nan 8.370 nan 0.000 0.525 228 R N -0.114 120.372 120.500 -0.023 0.000 2.235 228 R HA 0.070 4.410 4.340 0.000 0.000 0.213 228 R C 0.411 176.686 176.300 -0.041 0.000 1.059 228 R CA 0.298 56.384 56.100 -0.022 0.000 0.997 228 R CB 0.277 30.552 30.300 -0.043 0.000 0.884 228 R HN 0.069 nan 8.270 nan 0.000 0.462 229 V N 3.053 122.938 119.914 -0.048 0.000 2.385 229 V HA 0.113 4.233 4.120 0.000 0.000 0.269 229 V C -0.114 175.954 176.094 -0.043 0.000 1.043 229 V CA -0.433 61.834 62.300 -0.055 0.000 0.906 229 V CB 1.260 33.051 31.823 -0.052 0.000 0.995 229 V HN 0.039 nan 8.190 nan 0.000 0.467 230 K N 6.447 126.809 120.400 -0.064 0.000 2.316 230 K HA 0.539 4.859 4.320 0.000 0.000 0.267 230 K C -0.674 175.890 176.600 -0.060 0.000 1.025 230 K CA -0.332 55.927 56.287 -0.047 0.000 0.896 230 K CB 1.808 34.271 32.500 -0.060 0.000 1.124 230 K HN 0.504 nan 8.250 nan 0.000 0.451 231 L N 1.727 122.928 121.223 -0.037 0.000 2.375 231 L HA 0.162 4.502 4.340 0.000 0.000 0.271 231 L C 0.689 177.533 176.870 -0.042 0.000 1.107 231 L CA -0.135 54.680 54.840 -0.043 0.000 0.806 231 L CB 0.235 42.279 42.059 -0.025 0.000 1.146 231 L HN 0.709 nan 8.230 nan 0.000 0.447 232 E N 0.867 121.028 120.200 -0.065 0.000 2.416 232 E HA -0.220 4.130 4.350 0.000 0.000 0.249 232 E C -0.537 176.026 176.600 -0.063 0.000 1.124 232 E CA 0.276 56.636 56.400 -0.065 0.000 0.732 232 E CB -0.709 28.974 29.700 -0.028 0.000 1.286 232 E HN 0.375 nan 8.360 nan 0.000 0.394 233 R N 0.229 120.673 120.500 -0.093 0.000 2.587 233 R HA 0.256 4.596 4.340 0.000 0.000 0.283 233 R C -2.710 173.512 176.300 -0.131 0.000 1.472 233 R CA -1.965 54.087 56.100 -0.081 0.000 1.578 233 R CB 0.611 30.863 30.300 -0.080 0.000 1.130 233 R HN -0.012 nan 8.270 nan 0.000 0.602 234 P HA 0.042 nan 4.420 nan 0.000 0.276 234 P C -0.359 176.898 177.300 -0.073 0.000 1.235 234 P CA -0.245 62.747 63.100 -0.180 0.000 0.772 234 P CB 1.007 32.607 31.700 -0.168 0.000 0.871 235 V N 5.444 125.324 119.914 -0.056 0.000 2.530 235 V HA 0.094 4.214 4.120 0.000 0.000 0.282 235 V C 1.663 177.766 176.094 0.014 0.000 1.048 235 V CA 0.289 62.575 62.300 -0.022 0.000 0.997 235 V CB 0.450 32.250 31.823 -0.039 0.000 0.987 235 V HN 0.538 nan 8.190 nan 0.000 0.477 236 I N 1.811 122.400 120.570 0.031 0.000 4.288 236 I HA 0.441 4.611 4.170 0.000 0.000 0.331 236 I C -0.052 176.143 176.117 0.131 0.000 1.322 236 I CA 0.125 61.470 61.300 0.074 0.000 1.149 236 I CB 0.590 38.606 38.000 0.027 0.000 1.112 236 I HN 0.506 nan 8.210 nan 0.000 0.403 237 Y N 2.035 122.270 120.300 -0.108 0.000 2.390 237 Y HA 0.649 5.199 4.550 0.000 0.000 0.324 237 Y C -1.889 173.920 175.900 -0.151 0.000 1.151 237 Y CA -1.637 56.385 58.100 -0.130 0.000 1.053 237 Y CB 1.513 39.929 38.460 -0.073 0.000 1.277 237 Y HN -0.013 nan 8.280 nan 0.000 0.432 238 I N 5.796 125.974 120.570 -0.655 0.000 2.447 238 I HA 0.311 4.481 4.170 0.000 0.000 0.287 238 I C -1.295 174.440 176.117 -0.637 0.000 1.023 238 I CA -0.717 60.255 61.300 -0.546 0.000 1.083 238 I CB 1.876 39.698 38.000 -0.298 0.000 1.245 238 I HN 0.514 nan 8.210 nan 0.000 0.434 239 D N 6.108 126.187 120.400 -0.535 0.000 2.425 239 D HA 0.259 4.899 4.640 0.000 0.000 0.240 239 D C -0.179 176.042 176.300 -0.133 0.000 1.080 239 D CA -0.214 53.567 54.000 -0.364 0.000 0.836 239 D CB 1.617 42.207 40.800 -0.351 0.000 1.125 239 D HN 0.505 nan 8.370 nan 0.000 0.525 240 Q N 1.722 121.486 119.800 -0.060 0.000 2.188 240 Q HA 0.068 4.408 4.340 0.000 0.000 0.212 240 Q C 1.223 177.218 176.000 -0.009 0.000 0.846 240 Q CA 0.041 55.831 55.803 -0.023 0.000 0.989 240 Q CB 0.788 29.529 28.738 0.005 0.000 1.114 240 Q HN 0.578 nan 8.270 nan 0.000 0.488 241 T N -2.476 112.077 114.554 -0.002 0.000 3.055 241 T HA 0.083 4.434 4.350 0.000 0.000 0.265 241 T C 0.991 175.694 174.700 0.006 0.000 1.111 241 T CA 0.270 62.377 62.100 0.012 0.000 1.118 241 T CB 0.269 69.154 68.868 0.029 0.000 0.909 241 T HN 0.063 nan 8.240 nan 0.000 0.501 242 R N 0.316 120.814 120.500 -0.002 0.000 2.843 242 R HA 0.482 4.822 4.340 0.000 0.000 0.232 242 R C 1.571 177.860 176.300 -0.018 0.000 1.305 242 R CA -0.685 55.412 56.100 -0.005 0.000 1.096 242 R CB 0.659 30.959 30.300 0.000 0.000 1.455 242 R HN 0.127 nan 8.270 nan 0.000 0.520 243 E N 0.583 120.771 120.200 -0.020 0.000 2.077 243 E HA -0.119 4.231 4.350 0.000 0.000 0.193 243 E C -0.280 176.287 176.600 -0.055 0.000 0.989 243 E CA 1.011 57.391 56.400 -0.032 0.000 0.800 243 E CB 0.213 29.899 29.700 -0.025 0.000 0.746 243 E HN 0.294 nan 8.360 nan 0.000 0.452 244 N N 0.330 119.002 118.700 -0.047 0.000 2.456 244 N HA 0.164 4.904 4.740 0.000 0.000 0.296 244 N C -0.917 174.562 175.510 -0.051 0.000 1.102 244 N CA -0.357 52.657 53.050 -0.060 0.000 0.924 244 N CB 2.067 40.531 38.487 -0.039 0.000 1.186 244 N HN -0.149 nan 8.380 nan 0.000 0.492 245 V N 2.259 122.135 119.914 -0.063 0.000 2.555 245 V HA 0.179 4.299 4.120 0.000 0.000 0.286 245 V C 0.471 176.551 176.094 -0.023 0.000 1.044 245 V CA -0.325 61.947 62.300 -0.048 0.000 1.026 245 V CB 0.193 31.988 31.823 -0.046 0.000 0.981 245 V HN 0.352 nan 8.190 nan 0.000 0.480 246 L N 5.760 126.962 121.223 -0.034 0.000 2.282 246 L HA 0.561 4.901 4.340 0.000 0.000 0.288 246 L C -0.529 176.321 176.870 -0.033 0.000 1.033 246 L CA -0.538 54.298 54.840 -0.007 0.000 0.807 246 L CB 1.619 43.685 42.059 0.011 0.000 1.209 246 L HN 0.357 nan 8.230 nan 0.000 0.423 247 V N 2.954 122.895 119.914 0.045 0.000 2.378 247 V HA 0.327 4.447 4.120 0.000 0.000 0.288 247 V C -0.118 176.062 176.094 0.142 0.000 1.016 247 V CA -0.596 61.731 62.300 0.046 0.000 0.840 247 V CB 1.689 33.540 31.823 0.046 0.000 0.994 247 V HN 0.721 nan 8.190 nan 0.000 0.431 248 E N 2.624 122.908 120.200 0.140 0.000 2.204 248 E HA 0.619 4.969 4.350 0.000 0.000 0.276 248 E C -0.227 176.438 176.600 0.109 0.000 0.974 248 E CA -0.446 56.056 56.400 0.169 0.000 0.815 248 E CB 1.792 31.623 29.700 0.217 0.000 1.119 248 E HN 0.837 nan 8.360 nan 0.000 0.393 249 T N 0.662 115.274 114.554 0.096 0.000 2.952 249 T HA 0.203 4.553 4.350 0.000 0.000 0.286 249 T C 0.904 175.564 174.700 -0.067 0.000 1.024 249 T CA -0.823 61.295 62.100 0.031 0.000 1.029 249 T CB 1.147 70.059 68.868 0.072 0.000 1.094 249 T HN 0.411 nan 8.240 nan 0.000 0.515 250 L N 1.602 122.768 121.223 -0.095 0.000 2.141 250 L HA 0.065 4.405 4.340 0.000 0.000 0.209 250 L C 1.791 178.463 176.870 -0.330 0.000 1.094 250 L CA 1.872 56.603 54.840 -0.182 0.000 0.763 250 L CB -0.993 41.018 42.059 -0.081 0.000 0.908 250 L HN 0.930 nan 8.230 nan 0.000 0.437 251 N N -2.322 116.279 118.700 -0.165 0.000 2.416 251 N HA -0.058 4.683 4.740 0.000 0.000 0.215 251 N C -0.459 175.064 175.510 0.022 0.000 1.208 251 N CA 0.061 53.073 53.050 -0.064 0.000 0.834 251 N CB -0.568 37.936 38.487 0.029 0.000 1.072 251 N HN 0.429 nan 8.380 nan 0.000 0.472 252 H N -1.544 117.539 119.070 0.022 0.000 2.819 252 H HA -0.147 4.409 4.556 0.000 0.000 0.315 252 H C -1.002 174.331 175.328 0.007 0.000 1.242 252 H CA 0.787 56.840 56.048 0.009 0.000 1.157 252 H CB -1.778 27.980 29.762 -0.006 0.000 1.451 252 H HN 0.617 nan 8.280 nan 0.000 0.430 253 E N 0.492 120.742 120.200 0.083 0.000 2.256 253 E HA 0.554 4.904 4.350 0.000 0.000 0.267 253 E C -0.119 176.490 176.600 0.015 0.000 0.892 253 E CA -1.127 55.287 56.400 0.023 0.000 0.775 253 E CB 1.612 31.355 29.700 0.070 0.000 1.207 253 E HN 0.045 nan 8.360 nan 0.000 0.420 254 M N 2.305 121.815 119.600 -0.150 0.000 2.311 254 M HA 0.392 4.872 4.480 0.000 0.000 0.325 254 M C -1.417 174.696 176.300 -0.312 0.000 1.061 254 M CA -0.638 54.611 55.300 -0.084 0.000 0.957 254 M CB 0.922 33.492 32.600 -0.049 0.000 1.646 254 M HN 0.520 nan 8.290 nan 0.000 0.434 255 Y N 0.447 120.755 120.300 0.012 0.000 2.429 255 Y HA 0.487 5.037 4.550 0.000 0.000 0.342 255 Y C 0.126 176.026 175.900 -0.000 0.000 1.004 255 Y CA -0.792 57.311 58.100 0.005 0.000 1.075 255 Y CB 1.600 40.061 38.460 0.002 0.000 1.214 255 Y HN 0.568 nan 8.280 nan 0.000 0.455 256 E N 1.930 122.199 120.200 0.115 0.000 2.187 256 E HA 0.847 5.197 4.350 0.000 0.000 0.268 256 E C -1.532 175.103 176.600 0.059 0.000 0.896 256 E CA -0.717 55.719 56.400 0.060 0.000 0.766 256 E CB 1.331 31.042 29.700 0.019 0.000 1.142 256 E HN 0.791 nan 8.360 nan 0.000 0.408 257 A N 3.663 126.500 122.820 0.028 0.000 2.593 257 A HA 0.368 4.688 4.320 0.000 0.000 0.290 257 A C -0.145 177.408 177.584 -0.051 0.000 1.126 257 A CA -0.651 51.397 52.037 0.018 0.000 0.695 257 A CB 1.512 20.541 19.000 0.049 0.000 1.290 257 A HN 0.699 nan 8.150 nan 0.000 0.414 258 K N -0.936 119.420 120.400 -0.074 0.000 2.137 258 K HA 0.140 4.460 4.320 0.000 0.000 0.202 258 K C -0.747 175.476 176.600 -0.629 0.000 1.052 258 K CA 1.395 57.493 56.287 -0.314 0.000 0.961 258 K CB -0.032 32.325 32.500 -0.237 0.000 0.741 258 K HN 0.583 nan 8.250 nan 0.000 0.452 259 Y N -1.042 119.278 120.300 0.035 0.000 2.597 259 Y HA 0.382 4.932 4.550 0.000 0.000 0.340 259 Y C -0.718 175.206 175.900 0.041 0.000 1.097 259 Y CA -1.326 56.810 58.100 0.061 0.000 1.037 259 Y CB 1.831 40.321 38.460 0.050 0.000 1.305 259 Y HN -0.419 nan 8.280 nan 0.000 0.463 260 V N 3.435 123.484 119.914 0.226 0.000 2.656 260 V HA 0.477 4.597 4.120 0.000 0.000 0.307 260 V C -0.520 175.621 176.094 0.078 0.000 1.051 260 V CA -0.853 61.507 62.300 0.101 0.000 0.893 260 V CB 1.999 33.847 31.823 0.043 0.000 0.999 260 V HN 0.563 nan 8.190 nan 0.000 0.426 261 I N 2.964 123.553 120.570 0.032 0.000 2.336 261 I HA 0.333 4.503 4.170 0.000 0.000 0.292 261 I C 0.369 176.473 176.117 -0.021 0.000 0.991 261 I CA -0.113 61.184 61.300 -0.004 0.000 1.227 261 I CB 1.860 39.866 38.000 0.011 0.000 1.366 261 I HN 0.625 nan 8.210 nan 0.000 0.466 262 S N 5.546 121.203 115.700 -0.072 0.000 2.399 262 S HA 0.514 4.984 4.470 0.000 0.000 0.301 262 S C 0.373 175.052 174.600 0.132 0.000 1.093 262 S CA -0.481 57.750 58.200 0.052 0.000 1.077 262 S CB 0.548 63.819 63.200 0.118 0.000 0.980 262 S HN 0.717 nan 8.310 nan 0.000 0.494 263 A N 6.006 128.892 122.820 0.110 0.000 2.911 263 A HA 0.464 4.784 4.320 0.000 0.000 0.304 263 A C 0.321 177.981 177.584 0.127 0.000 1.144 263 A CA -0.712 51.397 52.037 0.119 0.000 0.988 263 A CB -0.546 18.500 19.000 0.077 0.000 1.141 263 A HN 0.923 nan 8.150 nan 0.000 0.552 264 I N -3.819 116.843 120.570 0.154 0.000 2.750 264 I HA 0.684 4.854 4.170 0.000 0.000 0.308 264 I C -2.906 173.304 176.117 0.156 0.000 1.016 264 I CA -3.063 58.326 61.300 0.147 0.000 1.098 264 I CB 1.486 39.575 38.000 0.149 0.000 1.279 264 I HN -0.145 nan 8.210 nan 0.000 0.454 265 P HA 0.135 nan 4.420 nan 0.000 0.265 265 P C -2.173 175.179 177.300 0.087 0.000 1.187 265 P CA -0.641 62.526 63.100 0.111 0.000 0.766 265 P CB -0.010 31.741 31.700 0.086 0.000 0.820 266 P HA -0.208 nan 4.420 nan 0.000 0.215 266 P C 1.628 178.909 177.300 -0.031 0.000 1.157 266 P CA 1.835 64.939 63.100 0.007 0.000 0.874 266 P CB -0.263 31.408 31.700 -0.048 0.000 0.790 267 T N -1.188 113.321 114.554 -0.074 0.000 2.881 267 T HA -0.073 4.277 4.350 0.000 0.000 0.270 267 T C 1.546 176.236 174.700 -0.017 0.000 1.068 267 T CA 0.756 62.804 62.100 -0.087 0.000 1.131 267 T CB -0.841 67.941 68.868 -0.143 0.000 0.871 267 T HN -0.040 nan 8.240 nan 0.000 0.479 268 L N 0.452 121.694 121.223 0.031 0.000 2.456 268 L HA 0.078 4.418 4.340 0.000 0.000 0.224 268 L C 2.801 179.743 176.870 0.120 0.000 1.148 268 L CA 0.771 55.658 54.840 0.078 0.000 0.825 268 L CB -0.777 41.355 42.059 0.122 0.000 0.937 268 L HN 0.347 nan 8.230 nan 0.000 0.450 269 G N 0.001 108.883 108.800 0.135 0.000 2.501 269 G HA2 -0.252 3.708 3.960 0.000 0.000 0.220 269 G HA3 -0.252 3.708 3.960 0.000 0.000 0.220 269 G C 1.592 176.633 174.900 0.235 0.000 1.114 269 G CA 0.324 45.564 45.100 0.233 0.000 0.757 269 G HN 0.297 nan 8.290 nan 0.000 0.559 270 M N 0.033 119.698 119.600 0.108 0.000 2.460 270 M HA 0.020 4.500 4.480 0.000 0.000 0.263 270 M C 1.977 178.296 176.300 0.032 0.000 1.071 270 M CA 0.906 56.240 55.300 0.057 0.000 1.096 270 M CB -0.082 32.512 32.600 -0.010 0.000 1.408 270 M HN 0.120 nan 8.290 nan 0.000 0.463 271 K N 0.520 120.962 120.400 0.070 0.000 2.525 271 K HA 0.179 4.499 4.320 0.000 0.000 0.192 271 K C 0.263 176.916 176.600 0.088 0.000 1.029 271 K CA 0.520 56.855 56.287 0.080 0.000 1.029 271 K CB 0.166 32.744 32.500 0.129 0.000 0.814 271 K HN 0.363 nan 8.250 nan 0.000 0.503 272 I N 1.198 121.783 120.570 0.026 0.000 2.404 272 I HA 0.152 4.322 4.170 0.000 0.000 0.293 272 I C 0.032 176.013 176.117 -0.227 0.000 0.992 272 I CA -0.767 60.456 61.300 -0.130 0.000 1.149 272 I CB 1.457 39.220 38.000 -0.394 0.000 1.315 272 I HN 0.029 nan 8.210 nan 0.000 0.446 273 H N 6.034 125.009 119.070 -0.159 0.000 2.562 273 H HA 0.365 4.921 4.556 0.000 0.000 0.314 273 H C -1.117 174.155 175.328 -0.093 0.000 1.079 273 H CA -0.165 55.895 56.048 0.021 0.000 1.349 273 H CB 1.228 31.072 29.762 0.136 0.000 1.432 273 H HN 0.314 nan 8.280 nan 0.000 0.479 274 F N 1.814 121.868 119.950 0.172 0.000 2.480 274 F HA 0.187 4.714 4.527 0.000 0.000 0.329 274 F C 0.565 176.411 175.800 0.078 0.000 1.091 274 F CA -0.775 57.261 58.000 0.060 0.000 0.972 274 F CB 1.434 40.452 39.000 0.030 0.000 1.150 274 F HN 0.464 nan 8.300 nan 0.000 0.467 275 N N 3.846 122.639 118.700 0.155 0.000 2.480 275 N HA 0.417 5.157 4.740 0.000 0.000 0.289 275 N C -3.074 172.479 175.510 0.071 0.000 1.073 275 N CA -2.254 50.873 53.050 0.127 0.000 0.885 275 N CB 2.253 40.833 38.487 0.154 0.000 1.421 275 N HN 0.089 nan 8.380 nan 0.000 0.503 276 P HA 0.387 nan 4.420 nan 0.000 0.277 276 P C -2.705 174.667 177.300 0.121 0.000 1.271 276 P CA -1.150 62.006 63.100 0.093 0.000 0.795 276 P CB -0.260 31.474 31.700 0.058 0.000 1.101 277 P HA 0.100 nan 4.420 nan 0.000 0.267 277 P C 0.086 177.394 177.300 0.013 0.000 1.200 277 P CA 0.182 63.339 63.100 0.094 0.000 0.772 277 P CB 0.140 31.878 31.700 0.063 0.000 0.855 278 L N 3.597 124.773 121.223 -0.078 0.000 2.516 278 L HA 0.061 4.401 4.340 0.000 0.000 0.288 278 L C -1.572 175.240 176.870 -0.097 0.000 1.246 278 L CA -1.362 53.366 54.840 -0.187 0.000 0.844 278 L CB -0.810 41.057 42.059 -0.321 0.000 1.106 278 L HN 0.327 nan 8.230 nan 0.000 0.509 279 P HA -0.047 nan 4.420 nan 0.000 0.270 279 P C 0.634 177.898 177.300 -0.060 0.000 1.223 279 P CA -0.334 62.730 63.100 -0.061 0.000 0.785 279 P CB 0.455 32.119 31.700 -0.059 0.000 0.923 280 M N 1.329 120.906 119.600 -0.038 0.000 2.089 280 M HA -0.234 4.246 4.480 0.000 0.000 0.257 280 M C 1.272 177.575 176.300 0.004 0.000 1.071 280 M CA 2.403 57.691 55.300 -0.019 0.000 1.096 280 M CB -0.448 32.144 32.600 -0.014 0.000 1.330 280 M HN 0.121 nan 8.290 nan 0.000 0.403 281 M N -0.149 119.449 119.600 -0.005 0.000 2.086 281 M HA -0.149 4.331 4.480 0.000 0.000 0.261 281 M C 2.378 178.711 176.300 0.056 0.000 1.067 281 M CA 1.896 57.228 55.300 0.053 0.000 1.116 281 M CB -1.446 31.127 32.600 -0.045 0.000 1.348 281 M HN 0.454 nan 8.290 nan 0.000 0.407 282 R N 0.333 120.795 120.500 -0.063 0.000 2.081 282 R HA -0.183 4.157 4.340 0.000 0.000 0.235 282 R C 2.033 178.242 176.300 -0.151 0.000 1.131 282 R CA 1.858 57.872 56.100 -0.143 0.000 0.960 282 R CB -0.268 29.892 30.300 -0.232 0.000 0.856 282 R HN 0.335 nan 8.270 nan 0.000 0.436 283 N N 0.462 119.087 118.700 -0.125 0.000 2.060 283 N HA -0.243 4.497 4.740 0.000 0.000 0.195 283 N C 1.624 177.065 175.510 -0.114 0.000 1.028 283 N CA 2.064 55.048 53.050 -0.111 0.000 0.861 283 N CB -0.030 38.415 38.487 -0.070 0.000 1.029 283 N HN 0.364 nan 8.380 nan 0.000 0.428 284 Q N -1.071 118.671 119.800 -0.097 0.000 2.137 284 Q HA -0.072 4.268 4.340 0.000 0.000 0.198 284 Q C 2.021 177.773 176.000 -0.413 0.000 0.960 284 Q CA 0.752 56.444 55.803 -0.186 0.000 0.847 284 Q CB -0.159 28.544 28.738 -0.058 0.000 0.915 284 Q HN 0.508 nan 8.270 nan 0.000 0.448 285 M N 1.705 121.063 119.600 -0.403 0.000 2.106 285 M HA -0.168 4.312 4.480 0.000 0.000 0.259 285 M C 2.008 178.076 176.300 -0.387 0.000 1.068 285 M CA 1.684 56.688 55.300 -0.493 0.000 1.100 285 M CB -0.478 32.006 32.600 -0.194 0.000 1.351 285 M HN 0.295 nan 8.290 nan 0.000 0.404 286 I N -1.601 118.805 120.570 -0.274 0.000 3.176 286 I HA -0.077 4.093 4.170 0.000 0.000 0.275 286 I C 1.546 177.531 176.117 -0.222 0.000 1.298 286 I CA 1.379 62.546 61.300 -0.222 0.000 1.445 286 I CB -1.099 36.816 38.000 -0.142 0.000 1.075 286 I HN 0.321 nan 8.210 nan 0.000 0.482 287 T N -2.422 111.981 114.554 -0.253 0.000 3.069 287 T HA 0.274 4.624 4.350 0.000 0.000 0.252 287 T C 1.496 176.026 174.700 -0.282 0.000 1.053 287 T CA -0.202 61.762 62.100 -0.227 0.000 0.964 287 T CB -0.031 68.727 68.868 -0.185 0.000 1.005 287 T HN 0.396 nan 8.240 nan 0.000 0.532 288 R N 0.924 121.197 120.500 -0.379 0.000 2.472 288 R HA 0.328 4.668 4.340 0.000 0.000 0.279 288 R C -0.161 175.819 176.300 -0.533 0.000 0.953 288 R CA 0.000 55.845 56.100 -0.426 0.000 1.088 288 R CB 1.333 31.327 30.300 -0.510 0.000 1.197 288 R HN 0.434 nan 8.270 nan 0.000 0.536 289 V N -0.743 118.836 119.914 -0.557 0.000 2.465 289 V HA 0.466 4.586 4.120 0.000 0.000 0.263 289 V C -2.705 173.021 176.094 -0.613 0.000 0.981 289 V CA -2.360 59.488 62.300 -0.753 0.000 0.838 289 V CB 0.841 32.163 31.823 -0.836 0.000 1.068 289 V HN -0.107 nan 8.190 nan 0.000 0.458 290 P HA 0.478 nan 4.420 nan 0.000 0.274 290 P C -0.587 176.368 177.300 -0.574 0.000 1.246 290 P CA -0.282 62.473 63.100 -0.574 0.000 0.795 290 P CB 1.837 33.183 31.700 -0.590 0.000 1.006 291 L N 0.570 121.640 121.223 -0.254 0.000 2.375 291 L HA 0.565 4.905 4.340 0.000 0.000 0.268 291 L C 1.539 178.450 176.870 0.069 0.000 1.058 291 L CA -0.105 54.684 54.840 -0.086 0.000 0.803 291 L CB 0.291 42.342 42.059 -0.013 0.000 1.212 291 L HN 0.469 nan 8.230 nan 0.000 0.451 292 G N -0.200 108.682 108.800 0.136 0.000 2.611 292 G HA2 0.443 4.403 3.960 0.000 0.000 0.273 292 G HA3 0.443 4.403 3.960 0.000 0.000 0.273 292 G C -0.818 174.092 174.900 0.017 0.000 1.305 292 G CA -0.377 44.777 45.100 0.090 0.000 1.010 292 G HN 0.502 nan 8.290 nan 0.000 0.509 293 S N -1.476 114.206 115.700 -0.029 0.000 2.561 293 S HA 0.611 5.081 4.470 0.000 0.000 0.303 293 S C -1.050 173.546 174.600 -0.006 0.000 1.110 293 S CA -0.523 57.686 58.200 0.014 0.000 1.034 293 S CB 1.732 64.948 63.200 0.027 0.000 1.010 293 S HN 0.894 nan 8.310 nan 0.000 0.482 294 V N 4.598 124.562 119.914 0.083 0.000 3.023 294 V HA 0.560 4.680 4.120 0.000 0.000 0.294 294 V C -2.001 174.260 176.094 0.279 0.000 1.324 294 V CA -0.719 61.665 62.300 0.140 0.000 0.979 294 V CB 1.728 33.586 31.823 0.058 0.000 1.093 294 V HN 0.893 nan 8.190 nan 0.000 0.434 295 I N 5.239 125.982 120.570 0.287 0.000 2.378 295 I HA 0.531 4.701 4.170 0.000 0.000 0.291 295 I C -0.290 176.060 176.117 0.388 0.000 0.992 295 I CA -0.661 60.820 61.300 0.301 0.000 1.154 295 I CB 1.788 39.906 38.000 0.196 0.000 1.315 295 I HN 0.549 nan 8.210 nan 0.000 0.448 296 K N 5.972 126.627 120.400 0.425 0.000 2.213 296 K HA 0.586 4.906 4.320 0.000 0.000 0.270 296 K C -1.468 175.244 176.600 0.187 0.000 1.002 296 K CA -0.324 56.183 56.287 0.366 0.000 0.868 296 K CB 1.058 33.843 32.500 0.475 0.000 1.093 296 K HN 0.704 nan 8.250 nan 0.000 0.454 297 C N 5.346 124.715 119.300 0.115 0.000 2.408 297 C HA 0.580 5.040 4.460 0.000 0.000 0.321 297 C C -0.787 174.254 174.990 0.085 0.000 1.245 297 C CA -1.072 58.016 59.018 0.116 0.000 1.523 297 C CB -0.037 27.878 27.740 0.292 0.000 2.178 297 C HN 0.736 nan 8.230 nan 0.000 0.488 298 I N 2.988 123.578 120.570 0.033 0.000 2.418 298 I HA 0.455 4.625 4.170 0.000 0.000 0.287 298 I C -0.290 175.863 176.117 0.059 0.000 1.008 298 I CA -0.165 61.119 61.300 -0.026 0.000 1.104 298 I CB 1.497 39.424 38.000 -0.122 0.000 1.264 298 I HN 0.349 nan 8.210 nan 0.000 0.438 299 V N 6.775 126.709 119.914 0.034 0.000 2.398 299 V HA 0.402 4.522 4.120 0.000 0.000 0.286 299 V C -0.650 175.301 176.094 -0.240 0.000 1.026 299 V CA -0.704 61.635 62.300 0.066 0.000 0.868 299 V CB 0.911 32.813 31.823 0.133 0.000 0.982 299 V HN 0.409 nan 8.190 nan 0.000 0.443 300 Y N 4.114 124.384 120.300 -0.049 0.000 2.352 300 Y HA 0.682 5.232 4.550 0.000 0.000 0.326 300 Y C -0.255 175.529 175.900 -0.192 0.000 1.166 300 Y CA -0.494 57.624 58.100 0.030 0.000 1.182 300 Y CB 1.279 39.839 38.460 0.167 0.000 1.216 300 Y HN 0.526 nan 8.280 nan 0.000 0.474 301 Y N -0.428 120.118 120.300 0.410 0.000 2.609 301 Y HA 0.276 4.826 4.550 0.000 0.000 0.342 301 Y C 1.086 177.131 175.900 0.243 0.000 1.058 301 Y CA -1.440 56.873 58.100 0.356 0.000 1.055 301 Y CB 1.906 40.671 38.460 0.507 0.000 1.292 301 Y HN 0.502 nan 8.280 nan 0.000 0.476 302 K N 0.157 120.772 120.400 0.358 0.000 2.097 302 K HA -0.062 4.258 4.320 0.000 0.000 0.206 302 K C -0.321 176.353 176.600 0.123 0.000 1.049 302 K CA 1.575 57.969 56.287 0.178 0.000 0.933 302 K CB 0.282 32.861 32.500 0.132 0.000 0.717 302 K HN 0.568 nan 8.250 nan 0.000 0.442 303 E N -0.775 119.516 120.200 0.152 0.000 2.413 303 E HA 0.228 4.578 4.350 0.000 0.000 0.277 303 E C -2.742 173.726 176.600 -0.221 0.000 0.958 303 E CA -2.130 54.263 56.400 -0.012 0.000 0.779 303 E CB 2.025 31.710 29.700 -0.024 0.000 1.278 303 E HN -0.063 nan 8.360 nan 0.000 0.456 304 P HA 0.137 nan 4.420 nan 0.000 0.231 304 P C 0.745 177.151 177.300 -1.489 0.000 1.811 304 P CA -0.193 62.007 63.100 -1.500 0.000 1.051 304 P CB -1.053 30.030 31.700 -1.028 0.000 1.951 305 F N 0.452 119.860 119.950 -0.903 0.000 2.250 305 F HA -0.114 4.413 4.527 0.000 0.000 0.301 305 F C 1.690 177.321 175.800 -0.281 0.000 1.077 305 F CA 0.070 57.819 58.000 -0.419 0.000 1.348 305 F CB -1.610 37.272 39.000 -0.196 0.000 1.040 305 F HN 0.146 nan 8.300 nan 0.000 0.509 306 W N 1.230 122.212 121.300 -0.530 0.000 2.402 306 W HA 0.089 4.749 4.660 0.000 0.000 0.286 306 W C 2.075 178.555 176.519 -0.066 0.000 1.221 306 W CA 0.714 57.943 57.345 -0.194 0.000 1.257 306 W CB -1.124 28.136 29.460 -0.333 0.000 1.120 306 W HN -0.157 nan 8.180 nan 0.000 0.551 307 R N 1.263 121.547 120.500 -0.360 0.000 2.105 307 R HA -0.108 4.232 4.340 0.000 0.000 0.239 307 R C 2.043 178.259 176.300 -0.139 0.000 1.135 307 R CA 1.857 57.845 56.100 -0.186 0.000 0.967 307 R CB -0.435 29.686 30.300 -0.298 0.000 0.861 307 R HN 0.296 nan 8.270 nan 0.000 0.442 308 K N 0.553 120.863 120.400 -0.151 0.000 2.362 308 K HA -0.061 4.259 4.320 0.000 0.000 0.200 308 K C 1.342 177.881 176.600 -0.101 0.000 1.046 308 K CA 0.761 56.988 56.287 -0.100 0.000 0.952 308 K CB 0.124 32.581 32.500 -0.072 0.000 0.753 308 K HN 0.129 nan 8.250 nan 0.000 0.466 309 K N 1.001 121.327 120.400 -0.123 0.000 2.458 309 K HA -0.041 4.279 4.320 0.000 0.000 0.194 309 K C -0.347 175.941 176.600 -0.521 0.000 1.024 309 K CA 0.185 56.298 56.287 -0.291 0.000 1.108 309 K CB 0.163 32.492 32.500 -0.285 0.000 0.846 309 K HN 0.029 nan 8.250 nan 0.000 0.518 310 D N 0.277 120.504 120.400 -0.289 0.000 2.746 310 D HA -0.205 4.435 4.640 0.000 0.000 0.236 310 D C -1.425 174.763 176.300 -0.187 0.000 1.129 310 D CA 0.821 54.693 54.000 -0.213 0.000 0.691 310 D CB -1.641 39.044 40.800 -0.193 0.000 1.077 310 D HN 0.329 nan 8.370 nan 0.000 0.432 311 Y N -0.738 119.593 120.300 0.052 0.000 2.364 311 Y HA 0.311 4.861 4.550 0.000 0.000 0.340 311 Y C 2.040 178.008 175.900 0.113 0.000 0.975 311 Y CA -0.930 57.202 58.100 0.053 0.000 1.089 311 Y CB 1.281 39.782 38.460 0.070 0.000 1.192 311 Y HN 0.253 nan 8.280 nan 0.000 0.454 312 C N -0.863 118.550 119.300 0.187 0.000 2.481 312 C HA 0.402 4.862 4.460 0.000 0.000 0.275 312 C C 1.745 176.792 174.990 0.095 0.000 1.419 312 C CA 0.537 59.642 59.018 0.145 0.000 1.773 312 C CB -0.987 26.768 27.740 0.026 0.000 1.862 312 C HN 1.233 nan 8.230 nan 0.000 0.530 313 G N -0.256 108.463 108.800 -0.136 0.000 2.184 313 G HA2 -0.136 3.824 3.960 0.000 0.000 0.206 313 G HA3 -0.136 3.824 3.960 0.000 0.000 0.206 313 G C 0.002 174.596 174.900 -0.510 0.000 0.995 313 G CA 0.171 44.913 45.100 -0.598 0.000 0.651 313 G HN 0.565 nan 8.290 nan 0.000 0.511 314 T N 2.078 116.418 114.554 -0.355 0.000 2.794 314 T HA 0.640 4.990 4.350 0.000 0.000 0.296 314 T C 0.271 174.741 174.700 -0.382 0.000 0.949 314 T CA 0.575 62.431 62.100 -0.406 0.000 1.101 314 T CB 0.905 69.593 68.868 -0.299 0.000 0.905 314 T HN 0.301 nan 8.240 nan 0.000 0.516 315 M N 3.891 123.219 119.600 -0.454 0.000 2.326 315 M HA 0.481 4.961 4.480 0.000 0.000 0.292 315 M C -0.974 175.243 176.300 -0.138 0.000 1.081 315 M CA -0.557 54.602 55.300 -0.235 0.000 0.919 315 M CB 2.342 34.795 32.600 -0.244 0.000 1.634 315 M HN 0.414 nan 8.290 nan 0.000 0.451 316 I N 4.714 125.392 120.570 0.180 0.000 2.328 316 I HA 0.456 4.626 4.170 0.000 0.000 0.287 316 I C -0.825 175.539 176.117 0.413 0.000 1.012 316 I CA -0.371 61.164 61.300 0.392 0.000 1.195 316 I CB 0.854 39.154 38.000 0.500 0.000 1.350 316 I HN 0.604 nan 8.210 nan 0.000 0.464 317 I N 5.227 126.003 120.570 0.343 0.000 2.420 317 I HA 0.292 4.462 4.170 0.000 0.000 0.282 317 I C -0.636 175.658 176.117 0.295 0.000 1.019 317 I CA -0.508 60.972 61.300 0.300 0.000 1.130 317 I CB 1.452 39.563 38.000 0.185 0.000 1.262 317 I HN 0.448 nan 8.210 nan 0.000 0.454 318 D N 4.720 125.300 120.400 0.299 0.000 2.193 318 D HA 0.740 5.380 4.640 0.000 0.000 0.249 318 D C -0.039 176.383 176.300 0.203 0.000 1.034 318 D CA 0.210 54.354 54.000 0.241 0.000 0.902 318 D CB 1.977 42.917 40.800 0.233 0.000 1.182 318 D HN 0.806 nan 8.370 nan 0.000 0.436 319 G N 2.530 111.429 108.800 0.164 0.000 2.634 319 G HA2 -0.039 3.921 3.960 0.000 0.000 0.568 319 G HA3 -0.039 3.921 3.960 0.000 0.000 0.568 319 G C 0.413 175.390 174.900 0.128 0.000 1.495 319 G CA -0.135 45.048 45.100 0.138 0.000 0.903 319 G HN 0.380 nan 8.290 nan 0.000 0.646 320 E N 0.788 121.057 120.200 0.115 0.000 2.171 320 E HA -0.158 4.192 4.350 0.000 0.000 0.197 320 E C 2.185 178.848 176.600 0.105 0.000 0.997 320 E CA 2.592 59.067 56.400 0.126 0.000 0.810 320 E CB 0.177 29.944 29.700 0.110 0.000 0.738 320 E HN 0.657 nan 8.360 nan 0.000 0.467 321 E N 0.071 120.324 120.200 0.088 0.000 2.371 321 E HA 0.137 4.487 4.350 0.000 0.000 0.194 321 E C 0.309 176.942 176.600 0.054 0.000 1.012 321 E CA 0.742 57.181 56.400 0.066 0.000 0.860 321 E CB -0.686 29.049 29.700 0.057 0.000 0.811 321 E HN 0.243 nan 8.360 nan 0.000 0.502 322 A N 3.270 126.133 122.820 0.073 0.000 2.438 322 A HA 0.255 4.575 4.320 0.000 0.000 0.280 322 A C -1.328 176.286 177.584 0.049 0.000 1.160 322 A CA -1.216 50.856 52.037 0.059 0.000 0.821 322 A CB 0.216 19.273 19.000 0.095 0.000 1.101 322 A HN -0.000 nan 8.150 nan 0.000 0.515 323 P HA -0.085 nan 4.420 nan 0.000 0.216 323 P C 0.322 177.657 177.300 0.058 0.000 1.150 323 P CA 1.113 64.222 63.100 0.015 0.000 0.837 323 P CB 0.083 31.774 31.700 -0.016 0.000 0.786 324 V N -0.037 119.930 119.914 0.089 0.000 2.417 324 V HA 0.475 4.595 4.120 0.000 0.000 0.291 324 V C 1.120 177.336 176.094 0.203 0.000 1.024 324 V CA -0.094 62.309 62.300 0.171 0.000 0.861 324 V CB 1.335 33.290 31.823 0.219 0.000 0.985 324 V HN -0.013 nan 8.190 nan 0.000 0.436 325 A N 4.610 127.580 122.820 0.250 0.000 2.267 325 A HA 0.356 4.676 4.320 0.000 0.000 0.213 325 A C 0.076 177.895 177.584 0.393 0.000 1.192 325 A CA 0.447 52.654 52.037 0.283 0.000 0.851 325 A CB 0.157 19.312 19.000 0.258 0.000 0.881 325 A HN 0.746 nan 8.150 nan 0.000 0.494 326 Y N -0.287 120.150 120.300 0.227 0.000 2.482 326 Y HA 0.460 5.010 4.550 0.000 0.000 0.334 326 Y C -0.318 175.660 175.900 0.130 0.000 1.091 326 Y CA -0.325 57.899 58.100 0.206 0.000 1.027 326 Y CB 1.544 40.175 38.460 0.284 0.000 1.306 326 Y HN 0.135 nan 8.280 nan 0.000 0.446 327 T N 3.478 117.780 114.554 -0.420 0.000 2.901 327 T HA 0.891 5.241 4.350 0.000 0.000 0.293 327 T C -1.542 172.833 174.700 -0.542 0.000 1.084 327 T CA -0.816 61.050 62.100 -0.391 0.000 1.008 327 T CB 1.958 70.536 68.868 -0.484 0.000 1.170 327 T HN 0.610 nan 8.240 nan 0.000 0.509 328 L N 0.759 121.768 121.223 -0.357 0.000 2.424 328 L HA 0.496 4.836 4.340 0.000 0.000 0.258 328 L C -0.937 175.777 176.870 -0.260 0.000 0.995 328 L CA -1.243 53.432 54.840 -0.275 0.000 0.821 328 L CB 2.319 44.313 42.059 -0.108 0.000 1.383 328 L HN 0.752 nan 8.230 nan 0.000 0.410 329 D N 0.695 120.974 120.400 -0.201 0.000 2.417 329 D HA -0.006 4.634 4.640 0.000 0.000 0.250 329 D C -0.298 176.028 176.300 0.043 0.000 1.166 329 D CA 0.544 54.486 54.000 -0.098 0.000 0.881 329 D CB 1.314 42.175 40.800 0.102 0.000 1.164 329 D HN 0.518 nan 8.370 nan 0.000 0.467 330 D N 1.762 122.188 120.400 0.045 0.000 2.462 330 D HA 0.078 4.718 4.640 0.000 0.000 0.221 330 D C -0.342 176.040 176.300 0.137 0.000 1.173 330 D CA -0.154 53.899 54.000 0.090 0.000 0.831 330 D CB 0.375 41.171 40.800 -0.007 0.000 1.001 330 D HN 0.248 nan 8.370 nan 0.000 0.499 331 T N 1.711 116.385 114.554 0.199 0.000 2.946 331 T HA -0.023 4.327 4.350 0.000 0.000 0.312 331 T C 0.533 175.302 174.700 0.115 0.000 1.066 331 T CA 0.011 62.224 62.100 0.189 0.000 1.138 331 T CB 0.685 69.670 68.868 0.196 0.000 1.014 331 T HN -0.056 nan 8.240 nan 0.000 0.544 332 K N 4.070 124.507 120.400 0.061 0.000 2.319 332 K HA 0.076 4.396 4.320 0.000 0.000 0.265 332 K C -1.349 175.145 176.600 -0.177 0.000 1.000 332 K CA -1.946 54.283 56.287 -0.096 0.000 0.943 332 K CB 0.172 32.641 32.500 -0.052 0.000 0.950 332 K HN 0.337 nan 8.250 nan 0.000 0.485 333 P HA -0.139 nan 4.420 nan 0.000 0.219 333 P C 0.260 177.480 177.300 -0.133 0.000 1.146 333 P CA 1.356 64.237 63.100 -0.366 0.000 0.808 333 P CB 0.352 31.711 31.700 -0.569 0.000 0.779 334 E N -1.110 119.037 120.200 -0.088 0.000 2.427 334 E HA 0.166 4.516 4.350 0.000 0.000 0.196 334 E C 1.590 178.184 176.600 -0.010 0.000 1.028 334 E CA 0.916 57.301 56.400 -0.024 0.000 0.864 334 E CB -0.775 28.932 29.700 0.012 0.000 0.813 334 E HN 0.309 nan 8.360 nan 0.000 0.514 335 G N 0.760 109.556 108.800 -0.008 0.000 2.176 335 G HA2 -0.286 3.674 3.960 0.000 0.000 0.232 335 G HA3 -0.286 3.674 3.960 0.000 0.000 0.232 335 G C 0.135 175.038 174.900 0.006 0.000 0.986 335 G CA 0.249 45.345 45.100 -0.007 0.000 0.643 335 G HN 0.366 nan 8.290 nan 0.000 0.522 336 N N -0.570 118.158 118.700 0.047 0.000 2.491 336 N HA 0.515 5.255 4.740 0.000 0.000 0.279 336 N C 0.538 176.162 175.510 0.191 0.000 1.236 336 N CA -0.749 52.319 53.050 0.030 0.000 0.982 336 N CB -0.021 38.419 38.487 -0.079 0.000 1.194 336 N HN 0.628 nan 8.380 nan 0.000 0.582 337 Y N -2.840 117.496 120.300 0.061 0.000 3.168 337 Y HA -0.173 4.377 4.550 0.000 0.000 0.207 337 Y C 0.624 176.666 175.900 0.237 0.000 1.280 337 Y CA 0.268 58.460 58.100 0.153 0.000 1.235 337 Y CB -2.420 36.097 38.460 0.094 0.000 1.370 337 Y HN 0.756 nan 8.280 nan 0.000 0.537 338 A N 0.278 123.265 122.820 0.278 0.000 2.584 338 A HA 0.496 4.816 4.320 0.000 0.000 0.239 338 A C 0.764 178.605 177.584 0.428 0.000 1.043 338 A CA 0.684 52.901 52.037 0.300 0.000 0.756 338 A CB 0.005 19.114 19.000 0.183 0.000 0.963 338 A HN 1.524 nan 8.150 nan 0.000 0.511 339 A N 2.794 125.862 122.820 0.413 0.000 2.589 339 A HA 0.636 4.956 4.320 0.000 0.000 0.296 339 A C -0.899 176.682 177.584 -0.004 0.000 1.062 339 A CA -0.537 51.547 52.037 0.078 0.000 0.686 339 A CB 1.019 19.787 19.000 -0.386 0.000 1.282 339 A HN 0.706 nan 8.150 nan 0.000 0.404 340 I N 2.816 123.291 120.570 -0.159 0.000 2.378 340 I HA 0.373 4.543 4.170 0.000 0.000 0.291 340 I C -0.165 175.808 176.117 -0.240 0.000 0.992 340 I CA -0.385 60.678 61.300 -0.393 0.000 1.154 340 I CB 1.638 39.255 38.000 -0.640 0.000 1.315 340 I HN 0.749 nan 8.210 nan 0.000 0.448 341 M N 5.794 125.254 119.600 -0.233 0.000 2.264 341 M HA 0.643 5.123 4.480 0.000 0.000 0.352 341 M C -0.408 175.769 176.300 -0.205 0.000 1.173 341 M CA -0.180 55.016 55.300 -0.174 0.000 1.075 341 M CB 1.251 33.767 32.600 -0.140 0.000 1.621 341 M HN 0.690 nan 8.290 nan 0.000 0.457 342 G N 4.174 112.895 108.800 -0.133 0.000 2.612 342 G HA2 0.692 4.652 3.960 0.000 0.000 0.298 342 G HA3 0.692 4.652 3.960 0.000 0.000 0.298 342 G C -1.996 172.849 174.900 -0.092 0.000 1.336 342 G CA -0.552 44.513 45.100 -0.058 0.000 0.953 342 G HN 0.646 nan 8.290 nan 0.000 0.482 343 F N 0.557 120.662 119.950 0.259 0.000 2.427 343 F HA 0.496 5.023 4.527 0.000 0.000 0.346 343 F C 0.542 176.458 175.800 0.194 0.000 1.120 343 F CA -0.662 57.487 58.000 0.249 0.000 1.033 343 F CB 2.063 41.236 39.000 0.289 0.000 1.126 343 F HN 0.057 nan 8.300 nan 0.000 0.462 344 I N 5.162 125.942 120.570 0.351 0.000 2.304 344 I HA 0.271 4.441 4.170 0.000 0.000 0.291 344 I C -0.649 175.563 176.117 0.158 0.000 1.018 344 I CA -0.326 61.098 61.300 0.206 0.000 1.260 344 I CB 0.857 38.944 38.000 0.146 0.000 1.390 344 I HN 0.390 nan 8.210 nan 0.000 0.475 345 L N 6.601 127.875 121.223 0.085 0.000 2.317 345 L HA 0.712 5.052 4.340 0.000 0.000 0.281 345 L C 0.928 177.763 176.870 -0.058 0.000 1.024 345 L CA -0.219 54.631 54.840 0.016 0.000 0.810 345 L CB 1.490 43.566 42.059 0.027 0.000 1.240 345 L HN 0.922 nan 8.230 nan 0.000 0.427 346 A N 2.123 124.906 122.820 -0.062 0.000 5.295 346 A HA -0.361 3.959 4.320 0.000 0.000 0.313 346 A C 1.649 179.221 177.584 -0.020 0.000 1.912 346 A CA 1.471 53.477 52.037 -0.051 0.000 0.714 346 A CB -1.582 17.386 19.000 -0.054 0.000 1.319 346 A HN 1.088 nan 8.150 nan 0.000 0.375 347 H N 1.019 120.083 119.070 -0.010 0.000 2.489 347 H HA -0.012 4.544 4.556 0.000 0.000 0.293 347 H C 1.642 176.989 175.328 0.033 0.000 1.066 347 H CA 1.846 57.905 56.048 0.018 0.000 1.305 347 H CB -0.342 29.439 29.762 0.032 0.000 1.386 347 H HN 0.730 nan 8.280 nan 0.000 0.551 348 K N 0.723 120.774 120.400 -0.582 0.000 2.155 348 K HA 0.104 4.424 4.320 0.000 0.000 0.203 348 K C 2.630 179.173 176.600 -0.094 0.000 1.052 348 K CA 0.837 56.925 56.287 -0.330 0.000 0.948 348 K CB 0.047 32.368 32.500 -0.298 0.000 0.728 348 K HN 0.295 nan 8.250 nan 0.000 0.448 349 A N 2.046 124.839 122.820 -0.045 0.000 1.917 349 A HA -0.233 4.087 4.320 0.000 0.000 0.219 349 A C 2.049 179.650 177.584 0.028 0.000 1.182 349 A CA 1.544 53.595 52.037 0.024 0.000 0.633 349 A CB -0.421 18.609 19.000 0.050 0.000 0.819 349 A HN 0.233 nan 8.150 nan 0.000 0.448 350 R N -0.548 119.967 120.500 0.025 0.000 2.066 350 R HA -0.085 4.255 4.340 0.000 0.000 0.232 350 R C 2.404 178.728 176.300 0.039 0.000 1.131 350 R CA 1.425 57.549 56.100 0.041 0.000 0.955 350 R CB -0.387 29.948 30.300 0.058 0.000 0.851 350 R HN 0.579 nan 8.270 nan 0.000 0.432 351 K N 1.406 121.829 120.400 0.039 0.000 2.002 351 K HA -0.117 4.203 4.320 0.000 0.000 0.209 351 K C 1.932 178.548 176.600 0.028 0.000 1.048 351 K CA 1.366 57.678 56.287 0.042 0.000 0.930 351 K CB -0.048 32.486 32.500 0.058 0.000 0.714 351 K HN 0.131 nan 8.250 nan 0.000 0.438 352 L N 0.337 121.571 121.223 0.018 0.000 2.492 352 L HA 0.049 4.390 4.340 0.000 0.000 0.223 352 L C 2.243 179.131 176.870 0.031 0.000 1.132 352 L CA 0.320 55.173 54.840 0.022 0.000 0.850 352 L CB -0.187 41.883 42.059 0.019 0.000 0.966 352 L HN 0.205 nan 8.230 nan 0.000 0.454 353 A N 0.478 123.318 122.820 0.033 0.000 2.121 353 A HA -0.141 4.179 4.320 0.000 0.000 0.218 353 A C 2.334 179.934 177.584 0.026 0.000 1.154 353 A CA 1.020 53.077 52.037 0.033 0.000 0.679 353 A CB -0.378 18.641 19.000 0.032 0.000 0.795 353 A HN 0.367 nan 8.150 nan 0.000 0.458 354 R N -0.791 119.723 120.500 0.023 0.000 2.235 354 R HA 0.167 4.507 4.340 0.000 0.000 0.213 354 R C 0.167 176.477 176.300 0.017 0.000 1.059 354 R CA 0.133 56.244 56.100 0.019 0.000 0.997 354 R CB -0.275 30.037 30.300 0.019 0.000 0.884 354 R HN 0.432 nan 8.270 nan 0.000 0.462 355 L N 0.544 121.778 121.223 0.019 0.000 2.468 355 L HA 0.161 4.501 4.340 0.000 0.000 0.254 355 L C 1.007 177.889 176.870 0.020 0.000 1.171 355 L CA -0.607 54.242 54.840 0.015 0.000 0.809 355 L CB 0.723 42.789 42.059 0.011 0.000 1.155 355 L HN 0.118 nan 8.230 nan 0.000 0.473 356 T N -2.798 111.766 114.554 0.016 0.000 2.828 356 T HA 0.098 4.448 4.350 0.000 0.000 0.290 356 T C 0.926 175.650 174.700 0.040 0.000 1.019 356 T CA -0.597 61.517 62.100 0.024 0.000 1.031 356 T CB 1.166 70.044 68.868 0.017 0.000 1.001 356 T HN 0.659 nan 8.240 nan 0.000 0.531 357 K N 0.298 120.738 120.400 0.066 0.000 2.074 357 K HA -0.212 4.108 4.320 0.000 0.000 0.209 357 K C 1.925 178.570 176.600 0.075 0.000 1.048 357 K CA 1.996 58.363 56.287 0.133 0.000 0.926 357 K CB -0.226 32.360 32.500 0.142 0.000 0.713 357 K HN 0.694 nan 8.250 nan 0.000 0.444 358 E N 0.638 120.852 120.200 0.024 0.000 2.106 358 E HA -0.147 4.203 4.350 0.000 0.000 0.192 358 E C 1.783 178.340 176.600 -0.072 0.000 0.984 358 E CA 1.358 57.739 56.400 -0.033 0.000 0.806 358 E CB 0.035 29.726 29.700 -0.015 0.000 0.750 358 E HN 0.419 nan 8.360 nan 0.000 0.458 359 E N 0.155 120.329 120.200 -0.043 0.000 2.107 359 E HA -0.059 4.291 4.350 0.000 0.000 0.191 359 E C 2.095 178.650 176.600 -0.076 0.000 0.982 359 E CA 0.526 56.895 56.400 -0.050 0.000 0.809 359 E CB 0.001 29.687 29.700 -0.023 0.000 0.756 359 E HN 0.111 nan 8.360 nan 0.000 0.459 360 R N 0.405 120.868 120.500 -0.061 0.000 2.081 360 R HA -0.143 4.197 4.340 0.000 0.000 0.235 360 R C 2.482 178.638 176.300 -0.239 0.000 1.131 360 R CA 0.926 56.979 56.100 -0.078 0.000 0.960 360 R CB -0.369 29.953 30.300 0.037 0.000 0.856 360 R HN 0.132 nan 8.270 nan 0.000 0.436 361 L N 1.689 122.656 121.223 -0.426 0.000 2.012 361 L HA -0.204 4.136 4.340 0.000 0.000 0.210 361 L C 2.202 178.855 176.870 -0.361 0.000 1.073 361 L CA 1.902 56.332 54.840 -0.684 0.000 0.748 361 L CB -0.456 41.132 42.059 -0.786 0.000 0.891 361 L HN -0.019 nan 8.230 nan 0.000 0.431 362 K N -0.324 119.939 120.400 -0.228 0.000 2.020 362 K HA -0.253 4.067 4.320 0.000 0.000 0.212 362 K C 2.206 178.715 176.600 -0.151 0.000 1.050 362 K CA 2.114 58.312 56.287 -0.148 0.000 0.929 362 K CB -0.157 32.285 32.500 -0.097 0.000 0.714 362 K HN 0.321 nan 8.250 nan 0.000 0.443 363 K N -0.037 120.273 120.400 -0.151 0.000 2.097 363 K HA -0.148 4.172 4.320 0.000 0.000 0.206 363 K C 2.059 178.521 176.600 -0.229 0.000 1.049 363 K CA 1.148 57.349 56.287 -0.143 0.000 0.933 363 K CB -0.072 32.366 32.500 -0.103 0.000 0.717 363 K HN 0.063 nan 8.250 nan 0.000 0.442 364 L N 0.551 121.580 121.223 -0.322 0.000 2.072 364 L HA -0.165 4.175 4.340 0.000 0.000 0.205 364 L C 2.380 178.813 176.870 -0.729 0.000 1.079 364 L CA 1.451 55.933 54.840 -0.597 0.000 0.752 364 L CB -0.685 41.045 42.059 -0.549 0.000 0.906 364 L HN 0.208 nan 8.230 nan 0.000 0.436 365 C N -0.612 118.474 119.300 -0.358 0.000 2.429 365 C HA -0.155 4.305 4.460 0.000 0.000 0.277 365 C C 2.620 177.571 174.990 -0.065 0.000 1.262 365 C CA 0.579 59.537 59.018 -0.101 0.000 1.733 365 C CB -0.802 26.939 27.740 0.003 0.000 2.010 365 C HN 0.545 nan 8.230 nan 0.000 0.483 366 E N 0.307 120.443 120.200 -0.107 0.000 2.150 366 E HA -0.182 4.168 4.350 0.000 0.000 0.193 366 E C 1.980 178.541 176.600 -0.065 0.000 0.985 366 E CA 0.780 57.144 56.400 -0.059 0.000 0.814 366 E CB -0.204 29.461 29.700 -0.058 0.000 0.752 366 E HN 0.549 nan 8.360 nan 0.000 0.466 367 L N 0.099 121.234 121.223 -0.147 0.000 2.027 367 L HA -0.170 4.170 4.340 0.000 0.000 0.206 367 L C 1.960 178.834 176.870 0.007 0.000 1.074 367 L CA 1.679 56.445 54.840 -0.123 0.000 0.745 367 L CB -0.484 41.462 42.059 -0.190 0.000 0.898 367 L HN 0.181 nan 8.230 nan 0.000 0.433 368 Y N -0.623 119.656 120.300 -0.034 0.000 2.181 368 Y HA -0.226 4.324 4.550 0.000 0.000 0.288 368 Y C 2.580 178.486 175.900 0.010 0.000 1.146 368 Y CA 0.290 58.375 58.100 -0.025 0.000 1.164 368 Y CB -0.522 37.966 38.460 0.046 0.000 0.982 368 Y HN 0.388 nan 8.280 nan 0.000 0.515 369 A N 0.760 123.693 122.820 0.189 0.000 1.892 369 A HA -0.298 4.022 4.320 0.000 0.000 0.218 369 A C 2.169 179.797 177.584 0.074 0.000 1.188 369 A CA 2.266 54.371 52.037 0.113 0.000 0.631 369 A CB -0.699 18.339 19.000 0.063 0.000 0.822 369 A HN 0.434 nan 8.150 nan 0.000 0.447 370 K N -0.530 119.892 120.400 0.036 0.000 2.025 370 K HA -0.064 4.256 4.320 0.000 0.000 0.207 370 K C 1.839 178.434 176.600 -0.007 0.000 1.049 370 K CA 1.527 57.825 56.287 0.018 0.000 0.933 370 K CB -0.262 32.238 32.500 -0.001 0.000 0.714 370 K HN 0.222 nan 8.250 nan 0.000 0.438 371 V N 1.698 121.552 119.914 -0.100 0.000 2.343 371 V HA -0.217 3.903 4.120 0.000 0.000 0.247 371 V C 2.120 178.159 176.094 -0.091 0.000 1.051 371 V CA 1.539 63.740 62.300 -0.166 0.000 1.036 371 V CB -0.302 31.375 31.823 -0.244 0.000 0.654 371 V HN 0.323 nan 8.190 nan 0.000 0.451 372 L N 0.455 121.654 121.223 -0.040 0.000 2.599 372 L HA 0.282 4.622 4.340 0.000 0.000 0.230 372 L C 1.624 178.604 176.870 0.183 0.000 1.141 372 L CA 0.656 55.503 54.840 0.011 0.000 0.877 372 L CB -0.750 41.407 42.059 0.163 0.000 1.009 372 L HN 0.536 nan 8.230 nan 0.000 0.447 373 G N 0.705 109.579 108.800 0.123 0.000 2.356 373 G HA2 -0.272 3.688 3.960 0.000 0.000 0.296 373 G HA3 -0.272 3.688 3.960 0.000 0.000 0.296 373 G C -0.008 174.969 174.900 0.128 0.000 1.022 373 G CA 0.552 45.727 45.100 0.125 0.000 0.961 373 G HN 0.354 nan 8.290 nan 0.000 0.510 374 S N -0.709 115.060 115.700 0.116 0.000 2.779 374 S HA 0.435 4.905 4.470 0.000 0.000 0.293 374 S C 1.247 175.823 174.600 -0.039 0.000 1.150 374 S CA -0.717 57.519 58.200 0.060 0.000 1.057 374 S CB 1.571 64.871 63.200 0.167 0.000 1.021 374 S HN 0.257 nan 8.310 nan 0.000 0.485 375 L N 2.087 123.270 121.223 -0.066 0.000 2.187 375 L HA -0.154 4.186 4.340 0.000 0.000 0.213 375 L C 2.219 178.986 176.870 -0.172 0.000 1.100 375 L CA 1.347 56.138 54.840 -0.082 0.000 0.765 375 L CB -0.416 41.608 42.059 -0.058 0.000 0.904 375 L HN 0.670 nan 8.230 nan 0.000 0.437 376 E N 0.408 120.387 120.200 -0.369 0.000 2.219 376 E HA -0.239 4.111 4.350 0.000 0.000 0.198 376 E C 2.223 178.483 176.600 -0.567 0.000 0.998 376 E CA 1.028 57.074 56.400 -0.590 0.000 0.818 376 E CB -0.250 28.810 29.700 -1.066 0.000 0.741 376 E HN 0.551 nan 8.360 nan 0.000 0.477 377 A N 1.014 123.561 122.820 -0.455 0.000 2.125 377 A HA -0.095 4.225 4.320 0.000 0.000 0.219 377 A C 1.967 179.731 177.584 0.300 0.000 1.156 377 A CA 0.752 52.836 52.037 0.079 0.000 0.671 377 A CB -0.380 18.784 19.000 0.274 0.000 0.794 377 A HN 0.173 nan 8.150 nan 0.000 0.459 378 L N -0.361 120.933 121.223 0.118 0.000 2.599 378 L HA 0.066 4.406 4.340 0.000 0.000 0.230 378 L C 0.267 177.215 176.870 0.129 0.000 1.141 378 L CA 0.148 55.053 54.840 0.108 0.000 0.877 378 L CB -0.047 42.034 42.059 0.037 0.000 1.009 378 L HN 0.212 nan 8.230 nan 0.000 0.447 379 E N 1.031 121.358 120.200 0.210 0.000 3.351 379 E HA 0.252 4.602 4.350 0.000 0.000 0.220 379 E C -2.212 174.533 176.600 0.242 0.000 1.150 379 E CA -1.694 54.813 56.400 0.180 0.000 1.359 379 E CB 0.125 29.897 29.700 0.121 0.000 1.365 379 E HN 0.173 nan 8.360 nan 0.000 0.434 380 P HA -0.013 nan 4.420 nan 0.000 0.269 380 P C 1.093 178.403 177.300 0.017 0.000 1.215 380 P CA -0.018 63.010 63.100 -0.120 0.000 0.780 380 P CB 1.406 32.995 31.700 -0.185 0.000 0.898 381 V N -1.980 117.965 119.914 0.053 0.000 3.565 381 V HA 0.318 4.438 4.120 0.000 0.000 0.260 381 V C 0.509 176.726 176.094 0.205 0.000 1.231 381 V CA 0.795 63.172 62.300 0.128 0.000 1.100 381 V CB -1.138 30.766 31.823 0.135 0.000 0.807 381 V HN 0.681 nan 8.190 nan 0.000 0.454 382 H N -1.255 117.881 119.070 0.110 0.000 2.950 382 H HA 0.632 5.188 4.556 0.000 0.000 0.307 382 H C -2.304 173.239 175.328 0.359 0.000 1.403 382 H CA -0.668 55.467 56.048 0.145 0.000 1.145 382 H CB 1.932 31.675 29.762 -0.033 0.000 1.844 382 H HN 0.136 nan 8.280 nan 0.000 0.515 383 Y N 1.287 121.377 120.300 -0.351 0.000 2.436 383 Y HA 0.479 5.029 4.550 0.000 0.000 0.327 383 Y C -1.781 174.032 175.900 -0.144 0.000 1.138 383 Y CA -0.652 57.397 58.100 -0.084 0.000 1.042 383 Y CB 1.614 40.010 38.460 -0.108 0.000 1.302 383 Y HN 0.628 nan 8.280 nan 0.000 0.439 384 E N 4.217 124.210 120.200 -0.344 0.000 2.343 384 E HA 0.474 4.824 4.350 0.000 0.000 0.270 384 E C -1.431 174.813 176.600 -0.593 0.000 0.895 384 E CA -0.774 55.412 56.400 -0.357 0.000 0.767 384 E CB 2.822 32.543 29.700 0.035 0.000 1.248 384 E HN 0.758 nan 8.360 nan 0.000 0.440 385 E N 0.227 120.181 120.200 -0.410 0.000 2.407 385 E HA 0.621 4.971 4.350 0.000 0.000 0.279 385 E C -1.342 175.209 176.600 -0.083 0.000 1.012 385 E CA -0.998 55.251 56.400 -0.253 0.000 0.800 385 E CB 2.396 31.900 29.700 -0.326 0.000 1.276 385 E HN 0.196 nan 8.360 nan 0.000 0.452 386 K N 1.476 121.879 120.400 0.005 0.000 2.581 386 K HA 0.286 4.606 4.320 0.000 0.000 0.249 386 K C -1.594 174.973 176.600 -0.055 0.000 0.966 386 K CA -0.764 55.470 56.287 -0.088 0.000 0.811 386 K CB 1.527 33.931 32.500 -0.161 0.000 1.223 386 K HN 0.511 nan 8.250 nan 0.000 0.438 387 N N 4.030 122.666 118.700 -0.106 0.000 2.437 387 N HA 0.103 4.843 4.740 0.000 0.000 0.243 387 N C -0.229 175.227 175.510 -0.091 0.000 1.041 387 N CA -0.350 52.696 53.050 -0.006 0.000 0.940 387 N CB 0.343 38.833 38.487 0.005 0.000 1.133 387 N HN 0.651 nan 8.380 nan 0.000 0.506 388 W N 2.250 123.597 121.300 0.079 0.000 2.678 388 W HA 0.050 4.710 4.660 0.000 0.000 0.256 388 W C 2.023 178.564 176.519 0.038 0.000 1.280 388 W CA -0.054 57.332 57.345 0.068 0.000 1.345 388 W CB -0.186 29.332 29.460 0.097 0.000 1.118 388 W HN 0.586 nan 8.180 nan 0.000 0.629 389 C N 0.502 119.912 119.300 0.183 0.000 2.419 389 C HA -0.178 4.282 4.460 0.000 0.000 0.283 389 C C 2.344 177.363 174.990 0.048 0.000 1.373 389 C CA 1.543 60.623 59.018 0.104 0.000 1.781 389 C CB -1.487 26.297 27.740 0.074 0.000 1.886 389 C HN 0.488 nan 8.230 nan 0.000 0.520 390 E N 0.760 120.966 120.200 0.011 0.000 2.479 390 E HA 0.001 4.351 4.350 0.000 0.000 0.193 390 E C -0.160 176.411 176.600 -0.049 0.000 1.049 390 E CA 0.274 56.656 56.400 -0.030 0.000 0.870 390 E CB -0.155 29.514 29.700 -0.052 0.000 0.944 390 E HN 0.508 nan 8.360 nan 0.000 0.492 391 E N 2.233 122.423 120.200 -0.016 0.000 2.070 391 E HA -0.021 4.329 4.350 0.000 0.000 0.282 391 E C 0.511 177.090 176.600 -0.036 0.000 1.104 391 E CA -0.009 56.385 56.400 -0.010 0.000 0.876 391 E CB 1.480 31.231 29.700 0.085 0.000 1.055 391 E HN 0.372 nan 8.360 nan 0.000 0.401 392 Q N 2.938 122.649 119.800 -0.147 0.000 2.152 392 Q HA -0.211 4.129 4.340 0.000 0.000 0.206 392 Q C 0.405 176.150 176.000 -0.424 0.000 0.985 392 Q CA 1.718 57.312 55.803 -0.348 0.000 0.863 392 Q CB 0.060 28.460 28.738 -0.563 0.000 0.904 392 Q HN 0.604 nan 8.270 nan 0.000 0.422 393 Y N -0.937 119.391 120.300 0.046 0.000 2.493 393 Y HA 0.236 4.786 4.550 0.000 0.000 0.275 393 Y C 1.472 177.432 175.900 0.101 0.000 1.183 393 Y CA -0.207 57.930 58.100 0.061 0.000 1.258 393 Y CB 0.877 39.364 38.460 0.046 0.000 1.108 393 Y HN 0.091 nan 8.280 nan 0.000 0.521 394 S N -1.744 114.077 115.700 0.201 0.000 2.931 394 S HA 0.288 4.758 4.470 0.000 0.000 0.251 394 S C 1.873 176.553 174.600 0.133 0.000 1.078 394 S CA 0.506 58.833 58.200 0.213 0.000 0.835 394 S CB 0.668 64.079 63.200 0.352 0.000 0.798 394 S HN 0.528 nan 8.310 nan 0.000 0.495 395 G N 1.088 109.946 108.800 0.097 0.000 2.253 395 G HA2 0.077 4.037 3.960 0.000 0.000 0.251 395 G HA3 0.077 4.037 3.960 0.000 0.000 0.251 395 G C 0.488 175.430 174.900 0.070 0.000 0.998 395 G CA 0.074 45.201 45.100 0.046 0.000 0.621 395 G HN 1.391 nan 8.290 nan 0.000 0.524 396 G N -2.311 106.571 108.800 0.138 0.000 2.352 396 G HA2 0.523 4.483 3.960 0.000 0.000 0.283 396 G HA3 0.523 4.483 3.960 0.000 0.000 0.283 396 G C -1.007 173.982 174.900 0.148 0.000 1.308 396 G CA 0.347 45.540 45.100 0.154 0.000 0.892 396 G HN 1.465 nan 8.290 nan 0.000 0.504 397 C N -1.720 117.619 119.300 0.065 0.000 3.311 397 C HA 0.587 5.047 4.460 0.000 0.000 0.325 397 C C 0.824 175.681 174.990 -0.221 0.000 1.352 397 C CA -0.630 58.358 59.018 -0.051 0.000 1.308 397 C CB 0.737 28.363 27.740 -0.190 0.000 1.619 397 C HN 0.724 nan 8.230 nan 0.000 0.469 398 Y N 0.578 120.819 120.300 -0.098 0.000 2.314 398 Y HA 0.200 4.750 4.550 0.000 0.000 0.293 398 Y C 1.593 177.457 175.900 -0.060 0.000 1.129 398 Y CA 1.306 59.313 58.100 -0.155 0.000 1.201 398 Y CB -0.469 37.868 38.460 -0.206 0.000 0.999 398 Y HN 0.690 nan 8.280 nan 0.000 0.541 399 T N -1.949 112.675 114.554 0.117 0.000 2.665 399 T HA 0.328 4.678 4.350 0.000 0.000 0.303 399 T C -0.858 173.931 174.700 0.150 0.000 1.334 399 T CA -0.728 61.479 62.100 0.179 0.000 1.011 399 T CB 1.051 70.113 68.868 0.323 0.000 1.573 399 T HN -0.152 nan 8.240 nan 0.000 0.492 400 T N 2.794 117.450 114.554 0.170 0.000 2.814 400 T HA 0.452 4.802 4.350 0.000 0.000 0.297 400 T C -0.693 174.006 174.700 -0.002 0.000 0.956 400 T CA 0.085 62.191 62.100 0.010 0.000 1.123 400 T CB -0.526 68.350 68.868 0.014 0.000 0.902 400 T HN 0.456 nan 8.240 nan 0.000 0.528 401 Y N 1.118 121.206 120.300 -0.353 0.000 2.534 401 Y HA 0.810 5.360 4.550 0.000 0.000 0.329 401 Y C -1.112 174.225 175.900 -0.939 0.000 1.154 401 Y CA -2.283 55.233 58.100 -0.974 0.000 1.192 401 Y CB 0.727 38.756 38.460 -0.719 0.000 1.275 401 Y HN 0.381 nan 8.280 nan 0.000 0.491 402 F N 2.376 121.540 119.950 -1.310 0.000 2.426 402 F HA 0.588 5.115 4.527 0.000 0.000 0.348 402 F C -2.347 173.357 175.800 -0.160 0.000 1.124 402 F CA -2.793 54.834 58.000 -0.622 0.000 1.008 402 F CB 1.609 40.296 39.000 -0.522 0.000 1.139 402 F HN 0.337 nan 8.300 nan 0.000 0.452 403 P HA 0.172 nan 4.420 nan 0.000 0.274 403 P C -2.580 174.821 177.300 0.169 0.000 1.256 403 P CA -1.343 61.846 63.100 0.149 0.000 0.795 403 P CB -0.083 31.661 31.700 0.073 0.000 1.038 404 P HA -0.028 nan 4.420 nan 0.000 0.262 404 P C 0.896 178.288 177.300 0.153 0.000 1.182 404 P CA 1.358 64.559 63.100 0.168 0.000 0.761 404 P CB -0.216 31.565 31.700 0.135 0.000 0.795 405 G N 2.973 111.880 108.800 0.178 0.000 2.195 405 G HA2 -0.254 3.706 3.960 0.000 0.000 0.246 405 G HA3 -0.254 3.706 3.960 0.000 0.000 0.246 405 G C 0.759 175.778 174.900 0.197 0.000 0.984 405 G CA 0.018 45.215 45.100 0.160 0.000 0.633 405 G HN 0.437 nan 8.290 nan 0.000 0.525 406 I N 0.053 120.770 120.570 0.244 0.000 2.494 406 I HA 0.180 4.350 4.170 0.000 0.000 0.250 406 I C 2.588 178.945 176.117 0.399 0.000 1.112 406 I CA 1.213 62.707 61.300 0.324 0.000 1.438 406 I CB -1.043 37.072 38.000 0.192 0.000 1.111 406 I HN 0.269 nan 8.210 nan 0.000 0.431 407 L N 1.212 122.657 121.223 0.371 0.000 2.046 407 L HA -0.188 4.152 4.340 0.000 0.000 0.208 407 L C 2.620 179.577 176.870 0.145 0.000 1.077 407 L CA 2.454 57.403 54.840 0.182 0.000 0.747 407 L CB -0.959 41.097 42.059 -0.005 0.000 0.896 407 L HN 0.410 nan 8.230 nan 0.000 0.432 408 T N -4.165 110.482 114.554 0.155 0.000 2.867 408 T HA -0.143 4.207 4.350 0.000 0.000 0.268 408 T C 1.771 176.443 174.700 -0.048 0.000 1.057 408 T CA 0.985 63.147 62.100 0.102 0.000 1.136 408 T CB -0.308 68.622 68.868 0.104 0.000 0.874 408 T HN 0.379 nan 8.240 nan 0.000 0.466 409 Q N -0.295 119.475 119.800 -0.049 0.000 2.250 409 Q HA 0.134 4.474 4.340 0.000 0.000 0.200 409 Q C 0.984 176.684 176.000 -0.502 0.000 0.941 409 Q CA 1.058 56.690 55.803 -0.285 0.000 0.872 409 Q CB 0.073 28.629 28.738 -0.303 0.000 0.965 409 Q HN 0.767 nan 8.270 nan 0.000 0.480 410 Y N -1.660 118.572 120.300 -0.113 0.000 2.448 410 Y HA 0.254 4.804 4.550 0.000 0.000 0.257 410 Y C 2.031 177.820 175.900 -0.186 0.000 1.089 410 Y CA 0.066 58.085 58.100 -0.136 0.000 1.245 410 Y CB 0.200 38.621 38.460 -0.064 0.000 1.282 410 Y HN 0.082 nan 8.280 nan 0.000 0.529 411 G N 1.849 110.593 108.800 -0.093 0.000 2.469 411 G HA2 -0.313 3.647 3.960 0.000 0.000 0.219 411 G HA3 -0.313 3.647 3.960 0.000 0.000 0.219 411 G C 1.731 176.217 174.900 -0.690 0.000 1.150 411 G CA 1.274 46.231 45.100 -0.239 0.000 0.763 411 G HN 0.398 nan 8.290 nan 0.000 0.561 412 R N 0.258 120.016 120.500 -1.237 0.000 2.341 412 R HA 0.090 4.430 4.340 0.000 0.000 0.213 412 R C 1.427 177.483 176.300 -0.406 0.000 1.082 412 R CA 1.005 56.408 56.100 -1.161 0.000 1.017 412 R CB -0.423 29.191 30.300 -1.143 0.000 0.860 412 R HN 0.313 nan 8.270 nan 0.000 0.473 413 V N 0.937 120.679 119.914 -0.286 0.000 3.565 413 V HA 0.015 4.135 4.120 0.000 0.000 0.260 413 V C 2.230 178.232 176.094 -0.154 0.000 1.231 413 V CA 0.120 62.315 62.300 -0.174 0.000 1.100 413 V CB -0.003 31.728 31.823 -0.153 0.000 0.807 413 V HN 0.203 nan 8.190 nan 0.000 0.454 414 L N 0.988 122.160 121.223 -0.085 0.000 2.010 414 L HA -0.254 4.086 4.340 0.000 0.000 0.219 414 L C 2.431 179.266 176.870 -0.059 0.000 1.077 414 L CA 2.563 57.380 54.840 -0.039 0.000 0.773 414 L CB -0.245 41.887 42.059 0.122 0.000 0.892 414 L HN 0.464 nan 8.230 nan 0.000 0.436 415 R N -0.740 119.812 120.500 0.086 0.000 2.509 415 R HA 0.128 4.468 4.340 0.000 0.000 0.300 415 R C 0.626 177.070 176.300 0.240 0.000 0.985 415 R CA -0.216 56.014 56.100 0.217 0.000 1.092 415 R CB -0.085 30.406 30.300 0.319 0.000 1.237 415 R HN 0.244 nan 8.270 nan 0.000 0.546 416 Q N 2.775 122.639 119.800 0.107 0.000 2.262 416 Q HA 0.154 4.494 4.340 0.000 0.000 0.272 416 Q C -2.041 174.063 176.000 0.174 0.000 1.076 416 Q CA -1.997 53.867 55.803 0.101 0.000 0.905 416 Q CB 0.745 29.487 28.738 0.006 0.000 1.182 416 Q HN 0.050 nan 8.270 nan 0.000 0.390 417 P HA -0.064 nan 4.420 nan 0.000 0.267 417 P C -1.214 176.091 177.300 0.009 0.000 1.200 417 P CA 0.017 63.061 63.100 -0.093 0.000 0.772 417 P CB 0.628 32.018 31.700 -0.516 0.000 0.855 418 V N 3.342 123.278 119.914 0.037 0.000 2.257 418 V HA 0.145 4.265 4.120 0.000 0.000 0.269 418 V C 0.689 176.754 176.094 -0.048 0.000 1.040 418 V CA 0.192 62.508 62.300 0.025 0.000 0.813 418 V CB -0.096 31.784 31.823 0.095 0.000 1.065 418 V HN 0.799 nan 8.190 nan 0.000 0.457 419 D N 4.017 124.387 120.400 -0.048 0.000 4.438 419 D HA -0.303 4.337 4.640 0.000 0.000 0.158 419 D C 1.341 177.635 176.300 -0.011 0.000 0.686 419 D CA 2.406 56.397 54.000 -0.014 0.000 1.183 419 D CB -0.366 40.437 40.800 0.005 0.000 0.623 419 D HN 0.534 nan 8.370 nan 0.000 0.521 420 R N -0.102 120.414 120.500 0.027 0.000 2.468 420 R HA 0.454 4.794 4.340 0.000 0.000 0.280 420 R C -0.153 176.255 176.300 0.179 0.000 0.963 420 R CA -0.150 56.058 56.100 0.180 0.000 1.083 420 R CB 0.447 30.782 30.300 0.057 0.000 1.200 420 R HN 0.296 nan 8.270 nan 0.000 0.541 421 I N 1.143 121.661 120.570 -0.086 0.000 2.331 421 I HA 0.224 4.394 4.170 0.000 0.000 0.292 421 I C -0.591 175.172 176.117 -0.591 0.000 0.998 421 I CA -0.684 60.482 61.300 -0.223 0.000 1.267 421 I CB 0.768 38.611 38.000 -0.261 0.000 1.386 421 I HN -0.084 nan 8.210 nan 0.000 0.476 422 Y N 5.252 125.305 120.300 -0.411 0.000 2.487 422 Y HA 0.535 5.085 4.550 0.000 0.000 0.337 422 Y C -0.552 175.004 175.900 -0.573 0.000 1.076 422 Y CA -0.633 57.263 58.100 -0.341 0.000 1.115 422 Y CB 1.590 39.979 38.460 -0.118 0.000 1.235 422 Y HN 0.281 nan 8.280 nan 0.000 0.468 423 F N 1.338 121.396 119.950 0.180 0.000 2.427 423 F HA 0.712 5.239 4.527 0.000 0.000 0.348 423 F C 0.398 176.281 175.800 0.137 0.000 1.125 423 F CA -0.556 57.526 58.000 0.137 0.000 0.989 423 F CB 1.163 40.227 39.000 0.107 0.000 1.165 423 F HN 0.602 nan 8.300 nan 0.000 0.442 424 A N 2.276 125.245 122.820 0.247 0.000 3.687 424 A HA 0.961 5.281 4.320 0.000 0.000 0.164 424 A C 0.391 178.104 177.584 0.215 0.000 1.564 424 A CA -0.407 51.743 52.037 0.187 0.000 0.896 424 A CB -0.078 18.988 19.000 0.110 0.000 1.731 424 A HN 1.506 nan 8.150 nan 0.000 0.607 425 G N -2.508 106.397 108.800 0.175 0.000 2.721 425 G HA2 0.078 4.038 3.960 0.000 0.000 0.686 425 G HA3 0.078 4.038 3.960 0.000 0.000 0.686 425 G C 0.438 175.465 174.900 0.212 0.000 1.236 425 G CA 0.618 45.828 45.100 0.182 0.000 0.786 425 G HN 1.552 nan 8.290 nan 0.000 0.616 426 T N 0.012 114.693 114.554 0.211 0.000 2.929 426 T HA -0.077 4.273 4.350 0.000 0.000 0.271 426 T C 2.100 176.998 174.700 0.329 0.000 1.085 426 T CA 2.575 64.826 62.100 0.253 0.000 1.125 426 T CB -0.181 68.832 68.868 0.242 0.000 0.874 426 T HN 0.600 nan 8.240 nan 0.000 0.494 427 E N 0.571 120.969 120.200 0.330 0.000 2.265 427 E HA -0.061 4.289 4.350 0.000 0.000 0.196 427 E C 2.212 179.069 176.600 0.429 0.000 0.996 427 E CA 1.530 58.177 56.400 0.411 0.000 0.832 427 E CB -0.193 29.714 29.700 0.346 0.000 0.756 427 E HN 0.711 nan 8.360 nan 0.000 0.491 428 T N -2.787 111.983 114.554 0.360 0.000 3.069 428 T HA 0.482 4.832 4.350 0.000 0.000 0.252 428 T C 0.820 175.756 174.700 0.393 0.000 1.053 428 T CA 0.005 62.317 62.100 0.354 0.000 0.964 428 T CB 0.219 69.273 68.868 0.310 0.000 1.005 428 T HN 0.095 nan 8.240 nan 0.000 0.532 429 A N 1.792 124.848 122.820 0.393 0.000 2.386 429 A HA 0.531 4.851 4.320 0.000 0.000 0.246 429 A C 1.490 179.351 177.584 0.462 0.000 1.089 429 A CA 0.201 52.475 52.037 0.396 0.000 0.790 429 A CB 0.251 19.445 19.000 0.323 0.000 1.042 429 A HN 0.536 nan 8.150 nan 0.000 0.497 430 T N -2.702 112.104 114.554 0.420 0.000 3.040 430 T HA 0.254 4.604 4.350 0.000 0.000 0.266 430 T C 0.176 175.009 174.700 0.220 0.000 1.005 430 T CA 0.605 62.919 62.100 0.356 0.000 0.906 430 T CB -0.354 68.678 68.868 0.274 0.000 1.082 430 T HN 0.767 nan 8.240 nan 0.000 0.531 431 H N -0.962 118.157 119.070 0.083 0.000 3.018 431 H HA 0.267 4.823 4.556 0.000 0.000 0.334 431 H C -1.045 174.330 175.328 0.078 0.000 0.983 431 H CA -1.021 55.005 56.048 -0.037 0.000 1.363 431 H CB 0.855 30.651 29.762 0.056 0.000 1.668 431 H HN 0.309 nan 8.280 nan 0.000 0.513 432 W N 2.172 123.229 121.300 -0.405 0.000 5.121 432 W HA -0.245 4.415 4.660 0.000 0.000 0.372 432 W C 0.467 176.935 176.519 -0.086 0.000 1.394 432 W CA 0.960 58.044 57.345 -0.435 0.000 0.885 432 W CB -1.727 27.396 29.460 -0.561 0.000 2.520 432 W HN 0.402 nan 8.180 nan 0.000 1.455 433 S N 0.498 116.242 115.700 0.073 0.000 2.558 433 S HA 0.393 4.863 4.470 0.000 0.000 0.288 433 S C 1.425 176.261 174.600 0.393 0.000 1.318 433 S CA 1.725 60.089 58.200 0.273 0.000 1.056 433 S CB 0.854 64.284 63.200 0.384 0.000 0.853 433 S HN 1.462 nan 8.310 nan 0.000 0.505 434 G N 2.806 111.902 108.800 0.493 0.000 2.234 434 G HA2 -0.210 3.750 3.960 0.000 0.000 0.235 434 G HA3 -0.210 3.750 3.960 0.000 0.000 0.235 434 G C -0.186 174.840 174.900 0.210 0.000 0.997 434 G CA 0.313 45.701 45.100 0.481 0.000 0.623 434 G HN 0.687 nan 8.290 nan 0.000 0.514 435 Y N -0.460 119.961 120.300 0.203 0.000 2.602 435 Y HA 0.710 5.260 4.550 0.000 0.000 0.330 435 Y C 1.961 177.905 175.900 0.073 0.000 1.114 435 Y CA -0.745 57.421 58.100 0.111 0.000 1.182 435 Y CB 0.916 39.429 38.460 0.088 0.000 1.305 435 Y HN -0.024 nan 8.280 nan 0.000 0.502 436 M N -0.152 119.553 119.600 0.175 0.000 2.159 436 M HA -0.183 4.297 4.480 0.000 0.000 0.263 436 M C 1.808 178.171 176.300 0.105 0.000 1.063 436 M CA 1.823 57.193 55.300 0.115 0.000 1.110 436 M CB -0.224 32.435 32.600 0.098 0.000 1.374 436 M HN 0.770 nan 8.290 nan 0.000 0.411 437 E N 0.869 121.111 120.200 0.071 0.000 2.070 437 E HA -0.158 4.192 4.350 0.000 0.000 0.197 437 E C 1.974 178.639 176.600 0.108 0.000 1.004 437 E CA 2.077 58.486 56.400 0.015 0.000 0.805 437 E CB -0.662 28.926 29.700 -0.186 0.000 0.744 437 E HN 0.431 nan 8.360 nan 0.000 0.451 438 G N -0.013 108.902 108.800 0.192 0.000 2.432 438 G HA2 -0.208 3.752 3.960 0.000 0.000 0.219 438 G HA3 -0.208 3.752 3.960 0.000 0.000 0.219 438 G C 1.698 176.713 174.900 0.192 0.000 1.135 438 G CA 1.059 46.294 45.100 0.226 0.000 0.767 438 G HN 0.472 nan 8.290 nan 0.000 0.550 439 A N 0.272 123.193 122.820 0.167 0.000 1.902 439 A HA 0.056 4.376 4.320 0.000 0.000 0.217 439 A C 2.608 180.253 177.584 0.101 0.000 1.181 439 A CA 1.877 53.995 52.037 0.135 0.000 0.623 439 A CB -0.623 18.445 19.000 0.113 0.000 0.818 439 A HN 0.263 nan 8.150 nan 0.000 0.443 440 V N 0.213 120.178 119.914 0.085 0.000 2.295 440 V HA -0.270 3.850 4.120 0.000 0.000 0.246 440 V C 2.549 178.679 176.094 0.060 0.000 1.049 440 V CA 2.241 64.576 62.300 0.058 0.000 1.024 440 V CB -0.804 31.046 31.823 0.046 0.000 0.648 440 V HN 0.750 nan 8.190 nan 0.000 0.447 441 E N 0.595 120.850 120.200 0.091 0.000 2.058 441 E HA -0.264 4.086 4.350 0.000 0.000 0.194 441 E C 2.222 178.854 176.600 0.053 0.000 0.997 441 E CA 1.727 58.184 56.400 0.096 0.000 0.801 441 E CB -0.187 29.618 29.700 0.176 0.000 0.746 441 E HN 0.544 nan 8.360 nan 0.000 0.450 442 A N 0.583 123.461 122.820 0.095 0.000 1.969 442 A HA -0.030 4.290 4.320 0.000 0.000 0.218 442 A C 2.356 179.959 177.584 0.033 0.000 1.169 442 A CA 1.581 53.667 52.037 0.080 0.000 0.635 442 A CB -0.830 18.266 19.000 0.159 0.000 0.810 442 A HN 0.444 nan 8.150 nan 0.000 0.445 443 G N -0.352 108.471 108.800 0.038 0.000 2.394 443 G HA2 -0.150 3.810 3.960 0.000 0.000 0.214 443 G HA3 -0.150 3.810 3.960 0.000 0.000 0.214 443 G C 1.408 176.294 174.900 -0.023 0.000 1.176 443 G CA 0.844 45.956 45.100 0.020 0.000 0.786 443 G HN 0.627 nan 8.290 nan 0.000 0.533 444 E N -0.036 120.144 120.200 -0.033 0.000 2.150 444 E HA -0.085 4.265 4.350 0.000 0.000 0.193 444 E C 2.493 179.014 176.600 -0.132 0.000 0.985 444 E CA 0.385 56.747 56.400 -0.064 0.000 0.814 444 E CB -0.103 29.572 29.700 -0.041 0.000 0.752 444 E HN 0.317 nan 8.360 nan 0.000 0.466 445 R N 1.233 121.616 120.500 -0.194 0.000 2.075 445 R HA -0.099 4.241 4.340 0.000 0.000 0.232 445 R C 2.180 178.311 176.300 -0.281 0.000 1.126 445 R CA 1.383 57.258 56.100 -0.376 0.000 0.963 445 R CB -0.235 29.649 30.300 -0.695 0.000 0.858 445 R HN 0.139 nan 8.270 nan 0.000 0.435 446 A N 1.016 123.744 122.820 -0.153 0.000 1.902 446 A HA -0.061 4.259 4.320 0.000 0.000 0.217 446 A C 2.420 179.905 177.584 -0.164 0.000 1.181 446 A CA 1.665 53.653 52.037 -0.083 0.000 0.623 446 A CB -0.703 18.308 19.000 0.018 0.000 0.818 446 A HN 0.547 nan 8.150 nan 0.000 0.443 447 A N -0.104 122.633 122.820 -0.140 0.000 1.908 447 A HA -0.197 4.123 4.320 0.000 0.000 0.218 447 A C 2.252 179.718 177.584 -0.197 0.000 1.181 447 A CA 1.648 53.593 52.037 -0.153 0.000 0.627 447 A CB -0.467 18.475 19.000 -0.096 0.000 0.818 447 A HN 0.552 nan 8.150 nan 0.000 0.445 448 R N -0.456 119.935 120.500 -0.183 0.000 2.148 448 R HA -0.063 4.277 4.340 0.000 0.000 0.223 448 R C 2.012 178.197 176.300 -0.191 0.000 1.088 448 R CA 1.158 57.157 56.100 -0.169 0.000 0.985 448 R CB -0.241 29.968 30.300 -0.152 0.000 0.880 448 R HN 0.690 nan 8.270 nan 0.000 0.451 449 E N 0.756 120.808 120.200 -0.246 0.000 2.085 449 E HA -0.211 4.139 4.350 0.000 0.000 0.194 449 E C 1.965 178.266 176.600 -0.498 0.000 0.994 449 E CA 1.186 57.428 56.400 -0.262 0.000 0.801 449 E CB -0.134 29.451 29.700 -0.191 0.000 0.743 449 E HN 0.343 nan 8.360 nan 0.000 0.453 450 I N 1.046 121.194 120.570 -0.704 0.000 2.202 450 I HA -0.279 3.891 4.170 0.000 0.000 0.242 450 I C 2.388 178.191 176.117 -0.523 0.000 1.091 450 I CA 0.907 61.697 61.300 -0.849 0.000 1.368 450 I CB -0.204 37.337 38.000 -0.764 0.000 1.058 450 I HN 0.111 nan 8.210 nan 0.000 0.410 451 L N -0.002 121.035 121.223 -0.309 0.000 2.081 451 L HA -0.307 4.033 4.340 0.000 0.000 0.212 451 L C 2.710 179.501 176.870 -0.132 0.000 1.080 451 L CA 1.783 56.514 54.840 -0.181 0.000 0.754 451 L CB -0.957 41.034 42.059 -0.114 0.000 0.893 451 L HN 0.388 nan 8.230 nan 0.000 0.433 452 H N -0.089 118.871 119.070 -0.184 0.000 2.389 452 H HA -0.080 4.476 4.556 0.000 0.000 0.299 452 H C 2.102 177.367 175.328 -0.104 0.000 1.081 452 H CA 1.412 57.392 56.048 -0.113 0.000 1.345 452 H CB 0.106 29.823 29.762 -0.074 0.000 1.393 452 H HN 0.259 nan 8.280 nan 0.000 0.520 453 A N 0.367 123.008 122.820 -0.298 0.000 2.015 453 A HA -0.080 4.240 4.320 0.000 0.000 0.219 453 A C 2.212 179.685 177.584 -0.185 0.000 1.163 453 A CA 1.504 53.387 52.037 -0.256 0.000 0.646 453 A CB -0.526 18.350 19.000 -0.206 0.000 0.806 453 A HN 0.548 nan 8.150 nan 0.000 0.448 454 M N -1.263 118.215 119.600 -0.203 0.000 2.618 454 M HA 0.162 4.642 4.480 0.000 0.000 0.240 454 M C 1.271 177.518 176.300 -0.088 0.000 1.123 454 M CA 0.775 56.027 55.300 -0.081 0.000 1.060 454 M CB 0.219 32.780 32.600 -0.066 0.000 1.535 454 M HN 0.598 nan 8.290 nan 0.000 0.507 455 G N 1.177 109.883 108.800 -0.157 0.000 2.137 455 G HA2 -0.265 3.695 3.960 0.000 0.000 0.237 455 G HA3 -0.265 3.695 3.960 0.000 0.000 0.237 455 G C 0.764 175.623 174.900 -0.069 0.000 1.002 455 G CA 0.422 45.445 45.100 -0.127 0.000 0.702 455 G HN 0.476 nan 8.290 nan 0.000 0.515 456 K N -0.529 119.831 120.400 -0.067 0.000 2.323 456 K HA 0.365 4.685 4.320 0.000 0.000 0.197 456 K C 1.341 177.932 176.600 -0.014 0.000 1.043 456 K CA 1.199 57.464 56.287 -0.038 0.000 0.997 456 K CB 0.355 32.827 32.500 -0.047 0.000 0.807 456 K HN 0.802 nan 8.250 nan 0.000 0.497 457 I N -1.777 118.798 120.570 0.008 0.000 2.865 457 I HA 0.480 4.650 4.170 0.000 0.000 0.302 457 I C -2.942 173.251 176.117 0.127 0.000 1.140 457 I CA -2.960 58.368 61.300 0.046 0.000 1.021 457 I CB 2.296 40.314 38.000 0.030 0.000 1.233 457 I HN -0.245 nan 8.210 nan 0.000 0.427 458 P HA 0.082 nan 4.420 nan 0.000 0.274 458 P C 0.184 177.552 177.300 0.114 0.000 1.256 458 P CA -0.016 63.174 63.100 0.149 0.000 0.795 458 P CB 1.022 32.768 31.700 0.076 0.000 1.038 459 E N 0.760 120.971 120.200 0.017 0.000 2.153 459 E HA -0.190 4.160 4.350 0.000 0.000 0.194 459 E C 0.972 177.519 176.600 -0.088 0.000 0.988 459 E CA 1.374 57.611 56.400 -0.271 0.000 0.811 459 E CB -0.137 29.411 29.700 -0.252 0.000 0.746 459 E HN 0.505 nan 8.360 nan 0.000 0.466 460 D N -0.568 119.829 120.400 -0.005 0.000 2.363 460 D HA -0.102 4.538 4.640 0.000 0.000 0.226 460 D C 0.778 177.110 176.300 0.053 0.000 1.020 460 D CA 0.340 54.361 54.000 0.035 0.000 0.892 460 D CB -0.068 40.752 40.800 0.032 0.000 0.900 460 D HN 0.286 nan 8.370 nan 0.000 0.531 461 E N -0.032 120.187 120.200 0.032 0.000 2.481 461 E HA 0.145 4.495 4.350 0.000 0.000 0.198 461 E C 1.937 178.538 176.600 0.001 0.000 1.027 461 E CA -0.293 56.123 56.400 0.028 0.000 0.900 461 E CB 0.446 30.157 29.700 0.020 0.000 0.993 461 E HN 0.277 nan 8.360 nan 0.000 0.482 462 I N 0.206 120.769 120.570 -0.013 0.000 2.127 462 I HA -0.203 3.967 4.170 0.000 0.000 0.241 462 I C 0.557 176.527 176.117 -0.245 0.000 1.075 462 I CA 1.259 62.483 61.300 -0.126 0.000 1.334 462 I CB -0.009 37.925 38.000 -0.111 0.000 1.040 462 I HN 0.090 nan 8.210 nan 0.000 0.405 463 W N 1.728 123.029 121.300 0.001 0.000 2.335 463 W HA 0.478 5.138 4.660 0.000 0.000 0.307 463 W C 0.159 176.686 176.519 0.013 0.000 1.117 463 W CA -0.163 57.193 57.345 0.018 0.000 1.228 463 W CB 0.505 29.976 29.460 0.019 0.000 1.240 463 W HN -0.008 nan 8.180 nan 0.000 0.468 464 Q N 2.927 122.831 119.800 0.174 0.000 2.304 464 Q HA 0.403 4.743 4.340 0.000 0.000 0.270 464 Q C -0.015 176.055 176.000 0.116 0.000 1.035 464 Q CA -0.529 55.340 55.803 0.110 0.000 0.781 464 Q CB 1.712 30.479 28.738 0.048 0.000 1.261 464 Q HN 0.540 nan 8.270 nan 0.000 0.444 465 S N 2.551 118.309 115.700 0.096 0.000 2.600 465 S HA 0.300 4.770 4.470 0.000 0.000 0.265 465 S C -0.174 174.467 174.600 0.068 0.000 1.325 465 S CA -0.476 57.773 58.200 0.081 0.000 1.002 465 S CB 1.337 64.569 63.200 0.053 0.000 0.921 465 S HN 0.687 nan 8.310 nan 0.000 0.554 466 E N 0.802 121.044 120.200 0.069 0.000 2.199 466 E HA 0.572 4.922 4.350 0.000 0.000 0.265 466 E C -2.820 173.810 176.600 0.051 0.000 0.882 466 E CA -2.161 54.277 56.400 0.063 0.000 0.759 466 E CB 1.027 30.778 29.700 0.084 0.000 1.148 466 E HN 0.535 nan 8.360 nan 0.000 0.412 467 P HA 0.026 nan 4.420 nan 0.000 0.266 467 P C -0.767 176.553 177.300 0.034 0.000 1.195 467 P CA -0.044 63.075 63.100 0.030 0.000 0.768 467 P CB 0.476 32.191 31.700 0.024 0.000 0.838 468 E N 1.909 122.127 120.200 0.030 0.000 2.414 468 E HA 0.064 4.414 4.350 0.000 0.000 0.263 468 E C -0.120 176.493 176.600 0.021 0.000 1.000 468 E CA -0.290 56.128 56.400 0.029 0.000 0.914 468 E CB 0.403 30.118 29.700 0.025 0.000 0.948 468 E HN 0.352 nan 8.360 nan 0.000 0.444 469 S N 2.723 118.433 115.700 0.018 0.000 2.552 469 S HA -0.054 4.416 4.470 0.000 0.000 0.289 469 S C 1.102 175.707 174.600 0.009 0.000 1.304 469 S CA -0.031 58.176 58.200 0.011 0.000 1.063 469 S CB 0.788 63.989 63.200 0.002 0.000 0.848 469 S HN 0.545 nan 8.310 nan 0.000 0.499 470 V N 1.882 121.803 119.914 0.010 0.000 3.235 470 V HA 0.105 4.225 4.120 0.000 0.000 0.259 470 V C 1.373 177.471 176.094 0.007 0.000 1.133 470 V CA 1.292 63.597 62.300 0.009 0.000 1.128 470 V CB -0.454 31.375 31.823 0.010 0.000 0.757 470 V HN 0.825 nan 8.190 nan 0.000 0.469 471 D N 1.187 121.591 120.400 0.007 0.000 2.213 471 D HA 0.079 4.719 4.640 0.000 0.000 0.205 471 D C 0.719 177.016 176.300 -0.005 0.000 0.961 471 D CA 1.166 55.169 54.000 0.006 0.000 0.853 471 D CB 0.742 41.550 40.800 0.013 0.000 0.967 471 D HN 0.509 nan 8.370 nan 0.000 0.496 472 V N 4.031 123.937 119.914 -0.013 0.000 2.260 472 V HA 0.200 4.320 4.120 0.000 0.000 0.263 472 V C -2.307 173.775 176.094 -0.020 0.000 1.036 472 V CA -1.297 60.986 62.300 -0.028 0.000 0.874 472 V CB 1.115 32.904 31.823 -0.056 0.000 1.116 472 V HN -0.034 nan 8.190 nan 0.000 0.454 473 P HA 0.335 nan 4.420 nan 0.000 0.272 473 P C -0.415 176.882 177.300 -0.004 0.000 1.223 473 P CA -0.011 63.087 63.100 -0.003 0.000 0.784 473 P CB 1.583 33.282 31.700 -0.001 0.000 0.923 474 A N 3.070 125.894 122.820 0.005 0.000 2.249 474 A HA 0.275 4.595 4.320 0.000 0.000 0.314 474 A C 0.328 177.916 177.584 0.007 0.000 1.290 474 A CA -0.568 51.475 52.037 0.010 0.000 0.893 474 A CB 0.078 19.096 19.000 0.030 0.000 1.165 474 A HN 0.518 nan 8.150 nan 0.000 0.530 475 Q N 3.014 122.815 119.800 0.001 0.000 2.373 475 Q HA 0.272 4.612 4.340 0.000 0.000 0.255 475 Q C -2.010 173.989 176.000 -0.001 0.000 0.980 475 Q CA -1.451 54.351 55.803 -0.001 0.000 0.882 475 Q CB 0.761 29.496 28.738 -0.005 0.000 1.249 475 Q HN 0.586 nan 8.270 nan 0.000 0.438 476 P HA 0.156 nan 4.420 nan 0.000 0.276 476 P C -0.729 176.564 177.300 -0.012 0.000 1.252 476 P CA -0.288 62.807 63.100 -0.007 0.000 0.802 476 P CB 0.794 32.489 31.700 -0.008 0.000 1.035 477 I N 1.698 122.256 120.570 -0.019 0.000 2.312 477 I HA 0.189 4.359 4.170 0.000 0.000 0.291 477 I C 1.080 177.184 176.117 -0.022 0.000 1.031 477 I CA 0.044 61.330 61.300 -0.024 0.000 1.293 477 I CB 0.166 38.144 38.000 -0.037 0.000 1.403 477 I HN 0.399 nan 8.210 nan 0.000 0.484 478 T N 2.104 116.650 114.554 -0.013 0.000 2.918 478 T HA 0.780 5.130 4.350 0.000 0.000 0.286 478 T C 0.103 174.799 174.700 -0.006 0.000 1.026 478 T CA -0.656 61.440 62.100 -0.007 0.000 1.031 478 T CB 2.159 71.029 68.868 0.003 0.000 1.046 478 T HN 0.617 nan 8.240 nan 0.000 0.479 479 T N -1.054 113.497 114.554 -0.006 0.000 2.942 479 T HA 0.735 5.085 4.350 0.000 0.000 0.289 479 T C 0.329 175.042 174.700 0.023 0.000 1.044 479 T CA -0.719 61.378 62.100 -0.006 0.000 1.023 479 T CB 1.286 70.128 68.868 -0.042 0.000 1.123 479 T HN 0.999 nan 8.240 nan 0.000 0.512 480 T N -0.732 113.843 114.554 0.035 0.000 2.918 480 T HA 0.406 4.756 4.350 0.000 0.000 0.283 480 T C 0.820 175.584 174.700 0.107 0.000 1.001 480 T CA -0.877 61.275 62.100 0.087 0.000 1.041 480 T CB 0.723 69.648 68.868 0.094 0.000 1.028 480 T HN 0.539 nan 8.240 nan 0.000 0.511 481 F N 1.005 120.983 119.950 0.047 0.000 2.120 481 F HA -0.049 4.478 4.527 0.000 0.000 0.300 481 F C 1.875 177.751 175.800 0.127 0.000 1.095 481 F CA 1.452 59.520 58.000 0.112 0.000 1.249 481 F CB -0.447 38.620 39.000 0.111 0.000 0.995 481 F HN 0.530 nan 8.300 nan 0.000 0.480 482 L N -0.018 121.284 121.223 0.131 0.000 2.056 482 L HA -0.201 4.139 4.340 0.000 0.000 0.207 482 L C 2.410 179.259 176.870 -0.035 0.000 1.078 482 L CA 1.684 56.547 54.840 0.039 0.000 0.749 482 L CB -0.674 41.463 42.059 0.131 0.000 0.901 482 L HN 0.188 nan 8.230 nan 0.000 0.433 483 E N -0.198 119.992 120.200 -0.016 0.000 2.085 483 E HA -0.244 4.106 4.350 0.000 0.000 0.194 483 E C 2.300 178.795 176.600 -0.174 0.000 0.994 483 E CA 1.123 57.488 56.400 -0.060 0.000 0.801 483 E CB -0.070 29.609 29.700 -0.035 0.000 0.743 483 E HN 0.430 nan 8.360 nan 0.000 0.453 484 R N -0.256 120.078 120.500 -0.277 0.000 2.092 484 R HA -0.054 4.286 4.340 0.000 0.000 0.231 484 R C 1.774 177.666 176.300 -0.680 0.000 1.119 484 R CA 1.052 56.848 56.100 -0.506 0.000 0.970 484 R CB -0.009 29.889 30.300 -0.671 0.000 0.864 484 R HN 0.319 nan 8.270 nan 0.000 0.440 485 H N -0.774 118.081 119.070 -0.359 0.000 2.827 485 H HA 0.211 4.767 4.556 0.000 0.000 0.269 485 H C 0.419 175.617 175.328 -0.218 0.000 1.031 485 H CA -0.229 55.609 56.048 -0.350 0.000 1.202 485 H CB 0.481 29.880 29.762 -0.604 0.000 1.511 485 H HN 0.025 nan 8.280 nan 0.000 0.517 486 L N 4.280 125.453 121.223 -0.083 0.000 2.514 486 L HA 0.025 4.365 4.340 0.000 0.000 0.280 486 L C -1.614 175.222 176.870 -0.057 0.000 1.223 486 L CA -1.220 53.601 54.840 -0.032 0.000 0.864 486 L CB 0.255 42.330 42.059 0.026 0.000 1.118 486 L HN 0.010 nan 8.230 nan 0.000 0.494 487 P HA 0.138 nan 4.420 nan 0.000 0.276 487 P C -0.683 176.553 177.300 -0.107 0.000 1.252 487 P CA -0.616 62.438 63.100 -0.077 0.000 0.802 487 P CB 1.083 32.740 31.700 -0.073 0.000 1.035 488 S N -0.324 115.291 115.700 -0.142 0.000 2.617 488 S HA 0.086 4.556 4.470 0.000 0.000 0.259 488 S C 1.484 175.929 174.600 -0.258 0.000 1.301 488 S CA -0.503 57.582 58.200 -0.191 0.000 0.984 488 S CB -0.291 62.786 63.200 -0.204 0.000 0.954 488 S HN 0.203 nan 8.310 nan 0.000 0.572 489 V N 2.233 121.927 119.914 -0.367 0.000 2.295 489 V HA -0.055 4.065 4.120 0.000 0.000 0.246 489 V C -0.500 175.188 176.094 -0.678 0.000 1.049 489 V CA 1.880 63.897 62.300 -0.471 0.000 1.024 489 V CB -1.771 29.777 31.823 -0.459 0.000 0.648 489 V HN 0.808 nan 8.190 nan 0.000 0.447 490 P HA -0.050 nan 4.420 nan 0.000 0.222 490 P C 1.789 178.874 177.300 -0.358 0.000 1.153 490 P CA 1.723 64.356 63.100 -0.779 0.000 0.798 490 P CB -0.240 31.045 31.700 -0.692 0.000 0.796 491 G N 1.205 109.838 108.800 -0.279 0.000 2.476 491 G HA2 -0.275 3.685 3.960 0.000 0.000 0.218 491 G HA3 -0.275 3.685 3.960 0.000 0.000 0.218 491 G C 1.527 176.344 174.900 -0.139 0.000 1.164 491 G CA 0.889 45.891 45.100 -0.163 0.000 0.768 491 G HN 0.274 nan 8.290 nan 0.000 0.560 492 L N 0.381 121.509 121.223 -0.158 0.000 2.046 492 L HA 0.103 4.443 4.340 0.000 0.000 0.208 492 L C 2.696 179.505 176.870 -0.102 0.000 1.077 492 L CA 1.313 56.087 54.840 -0.111 0.000 0.747 492 L CB -0.321 41.679 42.059 -0.098 0.000 0.896 492 L HN 0.222 nan 8.230 nan 0.000 0.432 493 L N -0.783 120.353 121.223 -0.146 0.000 2.046 493 L HA -0.220 4.120 4.340 0.000 0.000 0.208 493 L C 2.817 179.646 176.870 -0.068 0.000 1.077 493 L CA 1.433 56.211 54.840 -0.103 0.000 0.747 493 L CB -0.580 41.396 42.059 -0.139 0.000 0.896 493 L HN 0.310 nan 8.230 nan 0.000 0.432 494 R N -0.021 120.431 120.500 -0.082 0.000 2.080 494 R HA -0.204 4.136 4.340 0.000 0.000 0.236 494 R C 2.296 178.574 176.300 -0.036 0.000 1.137 494 R CA 1.474 57.544 56.100 -0.050 0.000 0.943 494 R CB -0.202 30.064 30.300 -0.057 0.000 0.846 494 R HN 0.158 nan 8.270 nan 0.000 0.431 495 L N 0.902 122.100 121.223 -0.042 0.000 2.079 495 L HA -0.182 4.158 4.340 0.000 0.000 0.210 495 L C 2.189 179.047 176.870 -0.020 0.000 1.081 495 L CA 1.582 56.405 54.840 -0.028 0.000 0.752 495 L CB -0.629 41.412 42.059 -0.030 0.000 0.896 495 L HN 0.276 nan 8.230 nan 0.000 0.433 496 I N -1.230 119.326 120.570 -0.023 0.000 2.252 496 I HA -0.200 3.970 4.170 0.000 0.000 0.245 496 I C 2.505 178.618 176.117 -0.008 0.000 1.102 496 I CA 1.245 62.537 61.300 -0.014 0.000 1.385 496 I CB -0.836 37.156 38.000 -0.014 0.000 1.064 496 I HN 0.314 nan 8.210 nan 0.000 0.414 497 G N 1.032 109.826 108.800 -0.009 0.000 2.476 497 G HA2 -0.254 3.706 3.960 0.000 0.000 0.218 497 G HA3 -0.254 3.706 3.960 0.000 0.000 0.218 497 G C 1.591 176.490 174.900 -0.002 0.000 1.164 497 G CA 0.741 45.840 45.100 -0.003 0.000 0.768 497 G HN 0.153 nan 8.290 nan 0.000 0.560 498 L N 0.632 121.851 121.223 -0.006 0.000 1.970 498 L HA -0.053 4.287 4.340 0.000 0.000 0.212 498 L C 3.254 180.122 176.870 -0.003 0.000 1.071 498 L CA 2.250 57.087 54.840 -0.004 0.000 0.751 498 L CB -1.086 40.969 42.059 -0.007 0.000 0.889 498 L HN 0.180 nan 8.230 nan 0.000 0.432 499 T N -1.333 113.219 114.554 -0.003 0.000 2.665 499 T HA -0.207 4.143 4.350 0.000 0.000 0.268 499 T C 1.277 175.977 174.700 0.000 0.000 1.035 499 T CA 1.860 63.959 62.100 -0.002 0.000 1.151 499 T CB -0.456 68.411 68.868 -0.002 0.000 0.862 499 T HN 0.355 nan 8.240 nan 0.000 0.438 500 T N 2.281 116.835 114.554 0.001 0.000 3.745 500 T HA 0.322 4.672 4.350 0.000 0.000 0.253 500 T C 0.303 175.005 174.700 0.003 0.000 1.088 500 T CA 0.378 62.480 62.100 0.003 0.000 0.969 500 T CB -0.821 68.049 68.868 0.004 0.000 1.075 500 T HN 0.330 nan 8.240 nan 0.000 0.608 501 I N 0.000 120.571 120.570 0.002 0.000 2.984 501 I HA 0.000 4.170 4.170 0.000 0.000 0.288 501 I CA 0.000 61.301 61.300 0.002 0.000 1.566 501 I CB 0.000 38.002 38.000 0.003 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494