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 2xfu_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 0.000 175.515 175.510 0.008 0.000 1.280 3 N CA 0.000 52.939 53.050 -0.185 0.000 0.885 3 N CB 0.000 38.410 38.487 -0.129 0.000 1.341 4 K N 1.510 121.931 120.400 0.035 0.000 2.185 4 K HA 0.609 4.929 4.320 0.000 0.000 0.269 4 K C -0.142 176.504 176.600 0.076 0.000 0.987 4 K CA -0.546 55.773 56.287 0.054 0.000 0.865 4 K CB 2.235 34.750 32.500 0.025 0.000 1.090 4 K HN 0.528 nan 8.250 nan 0.000 0.450 5 C N -1.234 118.114 119.300 0.079 0.000 3.336 5 C HA 0.391 4.851 4.460 0.000 0.000 0.339 5 C C 0.726 175.753 174.990 0.062 0.000 1.468 5 C CA -0.803 58.258 59.018 0.073 0.000 1.287 5 C CB 0.957 28.749 27.740 0.088 0.000 1.682 5 C HN 0.799 nan 8.230 nan 0.000 0.451 6 D N 0.236 120.674 120.400 0.064 0.000 2.120 6 D HA 0.118 4.758 4.640 0.000 0.000 0.202 6 D C 0.325 176.690 176.300 0.108 0.000 0.972 6 D CA 1.676 55.723 54.000 0.079 0.000 0.837 6 D CB 0.219 41.063 40.800 0.073 0.000 0.989 6 D HN 0.469 nan 8.370 nan 0.000 0.469 7 V N 1.351 121.316 119.914 0.086 0.000 2.623 7 V HA 0.237 4.357 4.120 0.000 0.000 0.304 7 V C -0.245 175.877 176.094 0.046 0.000 1.054 7 V CA -0.830 61.522 62.300 0.087 0.000 0.882 7 V CB 2.826 34.687 31.823 0.063 0.000 1.002 7 V HN -0.249 nan 8.190 nan 0.000 0.424 8 V N 5.364 125.301 119.914 0.038 0.000 2.383 8 V HA 0.388 4.508 4.120 0.000 0.000 0.275 8 V C -0.037 176.048 176.094 -0.015 0.000 1.036 8 V CA -0.441 61.851 62.300 -0.013 0.000 0.889 8 V CB 1.797 33.606 31.823 -0.024 0.000 0.985 8 V HN 0.627 nan 8.190 nan 0.000 0.459 9 V N 6.384 126.275 119.914 -0.039 0.000 2.350 9 V HA 0.307 4.427 4.120 0.000 0.000 0.276 9 V C 0.057 176.124 176.094 -0.045 0.000 1.028 9 V CA -0.527 61.756 62.300 -0.027 0.000 0.860 9 V CB 1.685 33.495 31.823 -0.022 0.000 0.990 9 V HN 0.607 nan 8.190 nan 0.000 0.453 10 V N 4.694 124.597 119.914 -0.020 0.000 2.385 10 V HA 0.797 4.917 4.120 0.000 0.000 0.269 10 V C 0.702 176.800 176.094 0.006 0.000 1.043 10 V CA 0.457 62.746 62.300 -0.019 0.000 0.906 10 V CB 0.544 32.374 31.823 0.011 0.000 0.995 10 V HN 1.258 nan 8.190 nan 0.000 0.467 11 G N 3.688 112.478 108.800 -0.017 0.000 3.355 11 G HA2 0.182 4.142 3.960 0.000 0.000 0.686 11 G HA3 0.182 4.142 3.960 0.000 0.000 0.686 11 G C 0.061 174.960 174.900 -0.001 0.000 1.097 11 G CA -0.502 44.600 45.100 0.004 0.000 0.881 11 G HN 1.274 nan 8.290 nan 0.000 0.550 12 G N 0.881 109.678 108.800 -0.006 0.000 4.291 12 G HA2 0.698 4.658 3.960 0.000 0.000 0.304 12 G HA3 0.698 4.658 3.960 0.000 0.000 0.304 12 G C 0.824 175.736 174.900 0.021 0.000 1.264 12 G CA 0.901 45.999 45.100 -0.003 0.000 1.039 12 G HN 1.288 nan 8.290 nan 0.000 0.578 13 G N -0.201 108.623 108.800 0.041 0.000 2.525 13 G HA2 0.370 4.330 3.960 0.000 0.000 0.287 13 G HA3 0.370 4.330 3.960 0.000 0.000 0.287 13 G C 1.230 176.156 174.900 0.043 0.000 1.350 13 G CA -0.794 44.340 45.100 0.056 0.000 1.039 13 G HN 0.134 nan 8.290 nan 0.000 0.513 14 I N -0.475 120.123 120.570 0.046 0.000 2.194 14 I HA -0.247 3.923 4.170 0.000 0.000 0.246 14 I C 3.007 179.147 176.117 0.037 0.000 1.093 14 I CA 1.787 63.107 61.300 0.034 0.000 1.355 14 I CB -0.131 37.894 38.000 0.041 0.000 1.046 14 I HN 0.476 nan 8.210 nan 0.000 0.413 15 S N 0.445 116.179 115.700 0.057 0.000 2.355 15 S HA -0.115 4.355 4.470 0.000 0.000 0.222 15 S C 2.041 176.667 174.600 0.044 0.000 1.031 15 S CA 1.595 59.833 58.200 0.063 0.000 0.993 15 S CB -0.497 62.759 63.200 0.093 0.000 0.859 15 S HN 0.582 nan 8.310 nan 0.000 0.453 16 G N 1.243 110.067 108.800 0.040 0.000 2.402 16 G HA2 -0.125 3.835 3.960 0.000 0.000 0.216 16 G HA3 -0.125 3.835 3.960 0.000 0.000 0.216 16 G C 1.438 176.340 174.900 0.004 0.000 1.162 16 G CA 0.803 45.916 45.100 0.022 0.000 0.777 16 G HN 0.369 nan 8.290 nan 0.000 0.539 17 M N 1.414 121.014 119.600 0.001 0.000 2.086 17 M HA 0.082 4.562 4.480 0.000 0.000 0.261 17 M C 3.002 179.294 176.300 -0.014 0.000 1.067 17 M CA 1.164 56.455 55.300 -0.014 0.000 1.116 17 M CB -1.415 31.174 32.600 -0.018 0.000 1.348 17 M HN 0.304 nan 8.290 nan 0.000 0.407 18 A N 0.011 122.828 122.820 -0.004 0.000 1.940 18 A HA -0.020 4.300 4.320 0.000 0.000 0.219 18 A C 2.426 180.007 177.584 -0.005 0.000 1.176 18 A CA 2.203 54.237 52.037 -0.004 0.000 0.631 18 A CB -0.900 18.104 19.000 0.005 0.000 0.814 18 A HN 0.487 nan 8.150 nan 0.000 0.446 19 A N -0.203 122.615 122.820 -0.004 0.000 1.873 19 A HA 0.220 4.540 4.320 0.000 0.000 0.215 19 A C 2.525 180.103 177.584 -0.010 0.000 1.186 19 A CA 1.947 53.977 52.037 -0.013 0.000 0.616 19 A CB -1.064 17.930 19.000 -0.009 0.000 0.823 19 A HN 1.047 nan 8.150 nan 0.000 0.442 20 A N 0.011 122.827 122.820 -0.007 0.000 1.902 20 A HA -0.196 4.124 4.320 0.000 0.000 0.217 20 A C 2.131 179.729 177.584 0.023 0.000 1.181 20 A CA 2.144 54.181 52.037 -0.000 0.000 0.623 20 A CB -0.501 18.486 19.000 -0.021 0.000 0.818 20 A HN 0.587 nan 8.150 nan 0.000 0.443 21 K N -0.437 119.967 120.400 0.008 0.000 2.032 21 K HA -0.117 4.203 4.320 0.000 0.000 0.209 21 K C 1.981 178.614 176.600 0.055 0.000 1.048 21 K CA 1.620 57.925 56.287 0.029 0.000 0.927 21 K CB -0.333 32.168 32.500 0.001 0.000 0.712 21 K HN 0.441 nan 8.250 nan 0.000 0.441 22 L N 1.014 122.249 121.223 0.020 0.000 2.046 22 L HA -0.162 4.178 4.340 0.000 0.000 0.208 22 L C 2.191 179.064 176.870 0.006 0.000 1.077 22 L CA 1.147 55.990 54.840 0.005 0.000 0.747 22 L CB -0.144 41.904 42.059 -0.019 0.000 0.896 22 L HN 0.266 nan 8.230 nan 0.000 0.432 23 L N -1.057 120.172 121.223 0.009 0.000 2.046 23 L HA -0.275 4.065 4.340 0.000 0.000 0.208 23 L C 2.588 179.479 176.870 0.035 0.000 1.077 23 L CA 1.516 56.358 54.840 0.004 0.000 0.747 23 L CB -0.773 41.287 42.059 0.001 0.000 0.896 23 L HN 0.411 nan 8.230 nan 0.000 0.432 24 H N 0.268 119.323 119.070 -0.024 0.000 2.321 24 H HA -0.188 4.368 4.556 0.000 0.000 0.300 24 H C 1.783 177.101 175.328 -0.017 0.000 1.087 24 H CA 2.007 58.045 56.048 -0.017 0.000 1.319 24 H CB 0.043 29.796 29.762 -0.016 0.000 1.379 24 H HN 0.215 nan 8.280 nan 0.000 0.501 25 D N -0.606 119.805 120.400 0.018 0.000 2.263 25 D HA -0.085 4.555 4.640 0.000 0.000 0.208 25 D C 1.661 177.921 176.300 -0.067 0.000 0.971 25 D CA 1.137 55.116 54.000 -0.036 0.000 0.867 25 D CB -0.184 40.626 40.800 0.016 0.000 0.929 25 D HN 0.304 nan 8.370 nan 0.000 0.492 26 S N -1.047 114.619 115.700 -0.057 0.000 2.593 26 S HA 0.282 4.752 4.470 0.000 0.000 0.217 26 S C 1.499 176.056 174.600 -0.071 0.000 0.966 26 S CA 0.476 58.643 58.200 -0.055 0.000 0.914 26 S CB 0.588 63.761 63.200 -0.045 0.000 0.776 26 S HN 0.430 nan 8.310 nan 0.000 0.523 27 G N 1.273 110.006 108.800 -0.112 0.000 2.132 27 G HA2 -0.210 3.750 3.960 0.000 0.000 0.234 27 G HA3 -0.210 3.750 3.960 0.000 0.000 0.234 27 G C -0.086 174.767 174.900 -0.079 0.000 0.989 27 G CA -0.232 44.799 45.100 -0.116 0.000 0.676 27 G HN 0.444 nan 8.290 nan 0.000 0.522 28 L N 0.468 121.657 121.223 -0.058 0.000 2.343 28 L HA 0.420 4.760 4.340 0.000 0.000 0.275 28 L C 0.214 177.092 176.870 0.014 0.000 1.056 28 L CA -1.096 53.735 54.840 -0.014 0.000 0.804 28 L CB 0.880 42.938 42.059 -0.002 0.000 1.203 28 L HN 0.032 nan 8.230 nan 0.000 0.440 29 N N 2.430 121.150 118.700 0.034 0.000 2.411 29 N HA 0.246 4.986 4.740 0.000 0.000 0.259 29 N C -0.643 174.908 175.510 0.069 0.000 1.103 29 N CA -0.050 53.038 53.050 0.062 0.000 0.954 29 N CB 1.665 40.184 38.487 0.054 0.000 1.085 29 N HN 0.344 nan 8.380 nan 0.000 0.485 30 V N 0.060 120.024 119.914 0.083 0.000 2.769 30 V HA 0.696 4.816 4.120 0.000 0.000 0.312 30 V C -0.109 176.002 176.094 0.029 0.000 1.061 30 V CA -0.769 61.562 62.300 0.052 0.000 0.931 30 V CB 1.912 33.763 31.823 0.046 0.000 1.010 30 V HN 0.163 nan 8.190 nan 0.000 0.433 31 V N 3.858 123.770 119.914 -0.005 0.000 2.680 31 V HA 0.595 4.715 4.120 0.000 0.000 0.309 31 V C -0.236 175.797 176.094 -0.102 0.000 1.052 31 V CA -0.575 61.690 62.300 -0.058 0.000 0.908 31 V CB 2.012 33.781 31.823 -0.090 0.000 1.001 31 V HN 0.836 nan 8.190 nan 0.000 0.431 32 V N 5.737 125.583 119.914 -0.112 0.000 2.398 32 V HA 0.476 4.596 4.120 0.000 0.000 0.286 32 V C -0.285 175.712 176.094 -0.162 0.000 1.026 32 V CA -0.480 61.752 62.300 -0.113 0.000 0.868 32 V CB 1.564 33.342 31.823 -0.075 0.000 0.982 32 V HN 0.612 nan 8.190 nan 0.000 0.443 33 L N 4.376 125.490 121.223 -0.181 0.000 2.280 33 L HA 0.644 4.984 4.340 0.000 0.000 0.287 33 L C -0.291 176.498 176.870 -0.136 0.000 1.023 33 L CA -0.388 54.332 54.840 -0.200 0.000 0.819 33 L CB 1.547 43.451 42.059 -0.258 0.000 1.212 33 L HN 0.608 nan 8.230 nan 0.000 0.420 34 E N 2.228 122.351 120.200 -0.127 0.000 2.199 34 E HA 0.486 4.836 4.350 0.000 0.000 0.265 34 E C 0.245 176.738 176.600 -0.179 0.000 0.882 34 E CA -0.386 55.940 56.400 -0.124 0.000 0.759 34 E CB 2.075 31.726 29.700 -0.082 0.000 1.148 34 E HN 0.559 nan 8.360 nan 0.000 0.412 35 A N 5.445 128.090 122.820 -0.292 0.000 1.969 35 A HA -0.007 4.313 4.320 0.000 0.000 0.218 35 A C 1.054 178.393 177.584 -0.408 0.000 1.169 35 A CA 0.943 52.659 52.037 -0.535 0.000 0.635 35 A CB -0.099 18.163 19.000 -1.230 0.000 0.810 35 A HN 0.555 nan 8.150 nan 0.000 0.445 36 R N -0.196 120.162 120.500 -0.238 0.000 2.553 36 R HA 0.263 4.603 4.340 0.000 0.000 0.263 36 R C -0.074 176.191 176.300 -0.058 0.000 1.066 36 R CA 0.045 56.087 56.100 -0.097 0.000 1.135 36 R CB 0.299 30.581 30.300 -0.030 0.000 1.148 36 R HN 0.400 nan 8.270 nan 0.000 0.558 37 D N 0.520 120.903 120.400 -0.027 0.000 2.323 37 D HA -0.036 4.604 4.640 0.000 0.000 0.239 37 D C -0.169 176.131 176.300 0.001 0.000 1.129 37 D CA 0.110 54.102 54.000 -0.013 0.000 0.865 37 D CB -0.042 40.756 40.800 -0.004 0.000 0.913 37 D HN 0.415 nan 8.370 nan 0.000 0.517 38 R N -1.529 118.972 120.500 0.002 0.000 2.734 38 R HA 0.592 4.932 4.340 0.000 0.000 0.271 38 R C -0.672 175.645 176.300 0.028 0.000 1.021 38 R CA -1.160 54.958 56.100 0.030 0.000 0.893 38 R CB 1.081 31.420 30.300 0.065 0.000 1.244 38 R HN -0.091 nan 8.270 nan 0.000 0.464 39 V N -1.752 118.187 119.914 0.041 0.000 3.262 39 V HA 0.876 4.996 4.120 0.000 0.000 0.313 39 V C 0.907 177.052 176.094 0.086 0.000 1.070 39 V CA 0.448 62.774 62.300 0.042 0.000 1.049 39 V CB 0.820 32.653 31.823 0.017 0.000 1.157 39 V HN 1.191 nan 8.190 nan 0.000 0.454 40 G N -0.848 108.003 108.800 0.085 0.000 2.391 40 G HA2 0.139 4.099 3.960 0.000 0.000 0.204 40 G HA3 0.139 4.099 3.960 0.000 0.000 0.204 40 G C 1.571 176.556 174.900 0.142 0.000 1.012 40 G CA 0.761 45.932 45.100 0.119 0.000 0.651 40 G HN 2.523 nan 8.290 nan 0.000 0.494 41 G N 0.694 109.587 108.800 0.155 0.000 2.698 41 G HA2 -0.441 3.519 3.960 0.000 0.000 0.337 41 G HA3 -0.441 3.519 3.960 0.000 0.000 0.337 41 G C 1.037 176.087 174.900 0.250 0.000 1.196 41 G CA 1.682 46.891 45.100 0.183 0.000 0.965 41 G HN 1.161 nan 8.290 nan 0.000 0.550 42 R N 1.774 122.331 120.500 0.096 0.000 2.313 42 R HA 0.241 4.581 4.340 0.000 0.000 0.199 42 R C 0.965 177.181 176.300 -0.140 0.000 0.958 42 R CA 0.959 56.947 56.100 -0.185 0.000 1.047 42 R CB -0.017 30.130 30.300 -0.255 0.000 0.955 42 R HN 0.680 nan 8.270 nan 0.000 0.481 43 T N -2.204 112.405 114.554 0.092 0.000 2.795 43 T HA 0.339 4.689 4.350 0.000 0.000 0.282 43 T C -0.950 173.965 174.700 0.358 0.000 0.980 43 T CA -0.604 61.596 62.100 0.167 0.000 1.012 43 T CB 1.443 70.375 68.868 0.107 0.000 0.936 43 T HN 0.102 nan 8.240 nan 0.000 0.457 44 Y N 1.659 122.104 120.300 0.241 0.000 2.298 44 Y HA 0.427 4.977 4.550 0.000 0.000 0.322 44 Y C -1.120 174.894 175.900 0.190 0.000 1.138 44 Y CA -0.854 57.389 58.100 0.239 0.000 1.127 44 Y CB 1.504 40.165 38.460 0.335 0.000 1.178 44 Y HN 0.862 nan 8.280 nan 0.000 0.428 45 T N 7.737 122.111 114.554 -0.300 0.000 2.743 45 T HA 0.407 4.757 4.350 0.000 0.000 0.292 45 T C -0.811 173.535 174.700 -0.589 0.000 0.972 45 T CA -0.382 61.534 62.100 -0.306 0.000 0.967 45 T CB 0.631 69.441 68.868 -0.097 0.000 0.926 45 T HN 0.582 nan 8.240 nan 0.000 0.459 46 L N 4.635 125.533 121.223 -0.542 0.000 2.292 46 L HA 0.595 4.935 4.340 0.000 0.000 0.284 46 L C -0.239 176.558 176.870 -0.122 0.000 1.065 46 L CA -0.158 54.457 54.840 -0.375 0.000 0.806 46 L CB 0.482 42.411 42.059 -0.216 0.000 1.175 46 L HN 0.481 nan 8.230 nan 0.000 0.431 47 R N 3.759 124.218 120.500 -0.069 0.000 2.393 47 R HA 0.581 4.921 4.340 0.000 0.000 0.315 47 R C -1.028 175.254 176.300 -0.031 0.000 0.952 47 R CA -0.542 55.542 56.100 -0.027 0.000 0.842 47 R CB 1.176 31.473 30.300 -0.005 0.000 1.163 47 R HN 0.878 nan 8.270 nan 0.000 0.450 48 N N -0.920 117.743 118.700 -0.061 0.000 2.972 48 N HA 0.048 4.788 4.740 0.000 0.000 0.262 48 N C -0.058 175.393 175.510 -0.098 0.000 1.478 48 N CA -0.946 52.065 53.050 -0.065 0.000 0.841 48 N CB 0.697 39.147 38.487 -0.063 0.000 1.512 48 N HN 0.266 nan 8.380 nan 0.000 0.548 49 Q N -0.315 119.435 119.800 -0.083 0.000 2.167 49 Q HA 0.011 4.351 4.340 0.000 0.000 0.202 49 Q C 0.566 176.516 176.000 -0.083 0.000 0.970 49 Q CA 1.286 57.053 55.803 -0.061 0.000 0.855 49 Q CB 0.034 28.749 28.738 -0.037 0.000 0.911 49 Q HN 0.537 nan 8.270 nan 0.000 0.438 50 K N 0.175 120.442 120.400 -0.223 0.000 2.217 50 K HA -0.059 4.261 4.320 0.000 0.000 0.202 50 K C 1.991 178.358 176.600 -0.387 0.000 1.051 50 K CA 1.290 57.347 56.287 -0.383 0.000 0.952 50 K CB 0.113 32.094 32.500 -0.865 0.000 0.736 50 K HN 0.309 nan 8.250 nan 0.000 0.453 51 V N -2.719 116.936 119.914 -0.432 0.000 3.621 51 V HA 0.194 4.314 4.120 0.000 0.000 0.263 51 V C 1.443 177.119 176.094 -0.696 0.000 1.272 51 V CA 0.710 62.703 62.300 -0.511 0.000 1.080 51 V CB 0.155 31.745 31.823 -0.388 0.000 0.816 51 V HN 0.258 nan 8.190 nan 0.000 0.451 52 K N 0.590 120.670 120.400 -0.533 0.000 10.883 52 K HA -0.309 4.011 4.320 0.000 0.000 0.526 52 K C 0.160 176.656 176.600 -0.172 0.000 0.382 52 K CA 2.539 58.574 56.287 -0.421 0.000 1.943 52 K CB -1.507 30.564 32.500 -0.716 0.000 0.766 52 K HN 0.968 nan 8.250 nan 0.000 1.214 53 Y N -1.849 118.305 120.300 -0.243 0.000 2.571 53 Y HA 0.741 5.291 4.550 0.000 0.000 0.341 53 Y C -1.236 174.619 175.900 -0.075 0.000 1.076 53 Y CA -0.728 57.289 58.100 -0.137 0.000 1.029 53 Y CB 2.059 40.460 38.460 -0.099 0.000 1.308 53 Y HN 0.045 nan 8.280 nan 0.000 0.461 54 V N 2.277 122.249 119.914 0.096 0.000 2.817 54 V HA 0.355 4.475 4.120 0.000 0.000 0.303 54 V C -1.584 174.567 176.094 0.095 0.000 1.151 54 V CA -0.645 61.716 62.300 0.102 0.000 0.929 54 V CB 1.974 33.876 31.823 0.132 0.000 1.030 54 V HN 0.929 nan 8.190 nan 0.000 0.427 55 D N 5.370 125.840 120.400 0.117 0.000 2.339 55 D HA 0.295 4.935 4.640 0.000 0.000 0.256 55 D C 0.821 177.205 176.300 0.140 0.000 1.214 55 D CA 0.258 54.313 54.000 0.092 0.000 0.877 55 D CB 1.783 42.613 40.800 0.051 0.000 1.111 55 D HN 0.520 nan 8.370 nan 0.000 0.478 56 L N 1.546 122.902 121.223 0.223 0.000 2.585 56 L HA 0.233 4.573 4.340 0.000 0.000 0.226 56 L C 1.507 178.779 176.870 0.670 0.000 1.113 56 L CA -0.010 55.066 54.840 0.392 0.000 0.876 56 L CB 0.384 42.681 42.059 0.397 0.000 1.072 56 L HN 0.337 nan 8.230 nan 0.000 0.468 57 G N -0.718 108.383 108.800 0.501 0.000 3.286 57 G HA2 0.438 4.398 3.960 0.000 0.000 0.166 57 G HA3 0.438 4.398 3.960 0.000 0.000 0.166 57 G C -0.155 174.778 174.900 0.055 0.000 1.155 57 G CA -0.008 45.216 45.100 0.206 0.000 0.871 57 G HN 0.072 nan 8.290 nan 0.000 0.637 58 G N -0.821 107.942 108.800 -0.063 0.000 2.414 58 G HA2 0.385 4.345 3.960 0.000 0.000 0.236 58 G HA3 0.385 4.345 3.960 0.000 0.000 0.236 58 G C 0.456 175.333 174.900 -0.038 0.000 1.293 58 G CA 0.982 46.045 45.100 -0.061 0.000 0.869 58 G HN 0.906 nan 8.290 nan 0.000 0.556 59 S N 0.715 116.339 115.700 -0.126 0.000 3.369 59 S HA 0.159 4.629 4.470 0.000 0.000 0.251 59 S C -0.161 174.176 174.600 -0.438 0.000 1.093 59 S CA -0.309 57.708 58.200 -0.305 0.000 0.952 59 S CB -0.142 62.721 63.200 -0.562 0.000 0.965 59 S HN 0.481 nan 8.310 nan 0.000 0.436 60 Y N 3.139 123.385 120.300 -0.090 0.000 2.304 60 Y HA 0.551 5.101 4.550 0.000 0.000 0.328 60 Y C 0.248 176.014 175.900 -0.223 0.000 1.123 60 Y CA -0.510 57.492 58.100 -0.164 0.000 1.218 60 Y CB 1.189 39.603 38.460 -0.078 0.000 1.207 60 Y HN 0.133 nan 8.280 nan 0.000 0.495 61 V N 0.090 119.873 119.914 -0.220 0.000 3.001 61 V HA 1.098 5.218 4.120 0.000 0.000 0.314 61 V C -0.215 175.698 176.094 -0.301 0.000 1.099 61 V CA -0.617 61.489 62.300 -0.323 0.000 0.989 61 V CB 1.624 33.175 31.823 -0.453 0.000 1.040 61 V HN 0.901 nan 8.190 nan 0.000 0.434 62 G N 0.991 109.564 108.800 -0.378 0.000 2.687 62 G HA2 0.768 4.728 3.960 0.000 0.000 0.291 62 G HA3 0.768 4.728 3.960 0.000 0.000 0.291 62 G C -3.362 171.378 174.900 -0.266 0.000 1.420 62 G CA -1.490 43.437 45.100 -0.288 0.000 0.796 62 G HN 0.701 nan 8.290 nan 0.000 0.485 63 P HA 0.116 nan 4.420 nan 0.000 0.268 63 P C 0.804 178.099 177.300 -0.009 0.000 1.208 63 P CA 1.759 64.822 63.100 -0.061 0.000 0.777 63 P CB 0.949 32.642 31.700 -0.012 0.000 0.875 64 T N -1.862 112.719 114.554 0.045 0.000 7.776 64 T HA -0.270 4.080 4.350 0.000 0.000 0.302 64 T C 0.309 175.061 174.700 0.088 0.000 2.093 64 T CA 1.137 63.342 62.100 0.174 0.000 3.360 64 T CB -2.660 66.434 68.868 0.378 0.000 1.793 64 T HN 0.591 nan 8.240 nan 0.000 1.076 65 Q N 1.480 121.144 119.800 -0.227 0.000 3.181 65 Q HA 0.365 4.705 4.340 0.000 0.000 0.293 65 Q C 0.915 176.825 176.000 -0.150 0.000 1.406 65 Q CA -0.438 55.122 55.803 -0.405 0.000 1.026 65 Q CB 0.188 28.491 28.738 -0.726 0.000 1.630 65 Q HN 0.494 nan 8.270 nan 0.000 0.553 66 N N 0.837 119.522 118.700 -0.024 0.000 2.354 66 N HA -0.060 4.681 4.740 0.000 0.000 0.179 66 N C 1.204 176.727 175.510 0.021 0.000 1.021 66 N CA 0.795 53.853 53.050 0.014 0.000 0.887 66 N CB 0.296 38.815 38.487 0.053 0.000 0.974 66 N HN 0.395 nan 8.380 nan 0.000 0.437 67 R N 0.420 120.937 120.500 0.028 0.000 2.062 67 R HA 0.047 4.387 4.340 0.000 0.000 0.226 67 R C 1.975 178.290 176.300 0.025 0.000 1.125 67 R CA 0.602 56.722 56.100 0.035 0.000 0.966 67 R CB -0.398 29.934 30.300 0.054 0.000 0.861 67 R HN 0.069 nan 8.270 nan 0.000 0.433 68 I N 1.499 122.079 120.570 0.018 0.000 2.286 68 I HA -0.198 3.972 4.170 0.000 0.000 0.248 68 I C 1.876 178.052 176.117 0.098 0.000 1.115 68 I CA 1.364 62.695 61.300 0.051 0.000 1.392 68 I CB -0.114 37.927 38.000 0.068 0.000 1.065 68 I HN 0.105 nan 8.210 nan 0.000 0.418 69 L N 0.117 121.385 121.223 0.074 0.000 2.056 69 L HA -0.169 4.171 4.340 0.000 0.000 0.207 69 L C 2.731 179.639 176.870 0.064 0.000 1.078 69 L CA 1.288 56.186 54.840 0.098 0.000 0.749 69 L CB -0.819 41.259 42.059 0.032 0.000 0.901 69 L HN 0.262 nan 8.230 nan 0.000 0.433 70 R N 0.731 121.252 120.500 0.034 0.000 2.075 70 R HA -0.176 4.164 4.340 0.000 0.000 0.232 70 R C 2.263 178.566 176.300 0.005 0.000 1.126 70 R CA 1.526 57.638 56.100 0.020 0.000 0.963 70 R CB -0.579 29.733 30.300 0.019 0.000 0.858 70 R HN 0.247 nan 8.270 nan 0.000 0.435 71 L N 1.162 122.384 121.223 -0.002 0.000 2.017 71 L HA -0.040 4.300 4.340 0.000 0.000 0.208 71 L C 2.436 179.265 176.870 -0.070 0.000 1.073 71 L CA 2.342 57.165 54.840 -0.029 0.000 0.745 71 L CB -0.909 41.132 42.059 -0.029 0.000 0.894 71 L HN 0.228 nan 8.230 nan 0.000 0.432 72 A N -0.742 122.017 122.820 -0.101 0.000 1.902 72 A HA -0.253 4.067 4.320 0.000 0.000 0.217 72 A C 2.462 179.977 177.584 -0.115 0.000 1.181 72 A CA 1.932 53.836 52.037 -0.222 0.000 0.623 72 A CB -0.639 18.085 19.000 -0.461 0.000 0.818 72 A HN 0.506 nan 8.150 nan 0.000 0.443 73 K N -0.348 120.037 120.400 -0.025 0.000 2.026 73 K HA -0.202 4.118 4.320 0.000 0.000 0.208 73 K C 2.054 178.641 176.600 -0.020 0.000 1.048 73 K CA 1.686 57.972 56.287 -0.003 0.000 0.929 73 K CB -0.184 32.329 32.500 0.021 0.000 0.713 73 K HN 0.616 nan 8.250 nan 0.000 0.439 74 E N 0.403 120.588 120.200 -0.024 0.000 2.204 74 E HA -0.153 4.197 4.350 0.000 0.000 0.195 74 E C 1.577 178.156 176.600 -0.036 0.000 0.990 74 E CA 0.688 57.074 56.400 -0.024 0.000 0.821 74 E CB 0.080 29.769 29.700 -0.018 0.000 0.750 74 E HN 0.346 nan 8.360 nan 0.000 0.477 75 L N -0.804 120.382 121.223 -0.061 0.000 2.591 75 L HA 0.182 4.522 4.340 0.000 0.000 0.228 75 L C 1.303 178.130 176.870 -0.072 0.000 1.133 75 L CA 0.436 55.232 54.840 -0.074 0.000 0.880 75 L CB 0.370 42.362 42.059 -0.111 0.000 1.033 75 L HN 0.312 nan 8.230 nan 0.000 0.450 76 G N 0.288 109.054 108.800 -0.057 0.000 2.131 76 G HA2 -0.228 3.732 3.960 0.000 0.000 0.223 76 G HA3 -0.228 3.732 3.960 0.000 0.000 0.223 76 G C 0.077 174.950 174.900 -0.046 0.000 0.990 76 G CA -0.316 44.760 45.100 -0.042 0.000 0.671 76 G HN 0.191 nan 8.290 nan 0.000 0.521 77 L N -0.238 120.943 121.223 -0.070 0.000 2.399 77 L HA 0.748 5.088 4.340 0.000 0.000 0.265 77 L C 0.568 177.469 176.870 0.051 0.000 1.089 77 L CA -0.734 54.070 54.840 -0.061 0.000 0.802 77 L CB 1.161 43.077 42.059 -0.237 0.000 1.180 77 L HN 0.180 nan 8.230 nan 0.000 0.454 78 E N -0.065 120.211 120.200 0.126 0.000 2.312 78 E HA 0.443 4.793 4.350 0.000 0.000 0.267 78 E C -0.958 175.793 176.600 0.252 0.000 0.894 78 E CA -0.706 55.792 56.400 0.163 0.000 0.773 78 E CB 2.498 32.267 29.700 0.115 0.000 1.241 78 E HN 0.660 nan 8.360 nan 0.000 0.432 79 T N -1.109 113.542 114.554 0.162 0.000 2.945 79 T HA 0.618 4.968 4.350 0.000 0.000 0.286 79 T C -0.761 174.001 174.700 0.104 0.000 1.025 79 T CA -0.694 61.425 62.100 0.031 0.000 1.039 79 T CB 0.632 69.412 68.868 -0.145 0.000 1.068 79 T HN 0.500 nan 8.240 nan 0.000 0.497 80 Y N -1.086 119.211 120.300 -0.005 0.000 2.576 80 Y HA 0.725 5.275 4.550 0.000 0.000 0.346 80 Y C -0.573 175.328 175.900 0.002 0.000 1.018 80 Y CA -1.571 56.538 58.100 0.014 0.000 1.050 80 Y CB 1.414 39.901 38.460 0.045 0.000 1.280 80 Y HN 0.628 nan 8.280 nan 0.000 0.474 81 K N 2.259 122.760 120.400 0.168 0.000 2.276 81 K HA 0.399 4.719 4.320 0.000 0.000 0.283 81 K C -0.828 175.861 176.600 0.147 0.000 1.044 81 K CA -0.692 55.637 56.287 0.069 0.000 0.944 81 K CB 1.417 33.959 32.500 0.069 0.000 1.012 81 K HN 0.610 nan 8.250 nan 0.000 0.472 82 V N 3.481 123.424 119.914 0.048 0.000 2.599 82 V HA -0.113 4.007 4.120 0.000 0.000 0.300 82 V C 0.594 176.744 176.094 0.093 0.000 1.034 82 V CA -0.141 62.225 62.300 0.110 0.000 1.115 82 V CB 0.194 32.062 31.823 0.075 0.000 0.934 82 V HN 0.731 nan 8.190 nan 0.000 0.485 83 N N 4.066 122.837 118.700 0.119 0.000 2.429 83 N HA -0.018 4.722 4.740 0.000 0.000 0.271 83 N C 0.371 175.902 175.510 0.035 0.000 1.272 83 N CA 0.559 53.660 53.050 0.085 0.000 0.921 83 N CB 0.214 38.771 38.487 0.116 0.000 1.128 83 N HN 0.821 nan 8.380 nan 0.000 0.481 84 E N 2.835 123.044 120.200 0.013 0.000 2.968 84 E HA 0.105 4.455 4.350 0.000 0.000 0.202 84 E C 0.425 177.013 176.600 -0.021 0.000 0.979 84 E CA -0.058 56.329 56.400 -0.021 0.000 1.192 84 E CB 0.337 30.012 29.700 -0.041 0.000 1.059 84 E HN 0.450 nan 8.360 nan 0.000 0.470 85 V N 0.598 120.512 119.914 -0.000 0.000 2.358 85 V HA -0.159 3.961 4.120 0.000 0.000 0.246 85 V C 0.954 177.041 176.094 -0.011 0.000 1.047 85 V CA 1.588 63.885 62.300 -0.004 0.000 1.035 85 V CB -0.104 31.721 31.823 0.003 0.000 0.658 85 V HN 0.235 nan 8.190 nan 0.000 0.452 86 E N -0.714 119.486 120.200 -0.000 0.000 3.099 86 E HA 0.384 4.734 4.350 0.000 0.000 0.259 86 E C 0.245 176.838 176.600 -0.012 0.000 1.274 86 E CA -0.654 55.747 56.400 0.001 0.000 1.111 86 E CB 0.214 29.925 29.700 0.018 0.000 1.327 86 E HN 0.271 nan 8.360 nan 0.000 0.652 87 R N 0.320 120.833 120.500 0.021 0.000 2.438 87 R HA 0.243 4.583 4.340 0.000 0.000 0.287 87 R C -0.472 175.771 176.300 -0.095 0.000 1.077 87 R CA -0.499 55.592 56.100 -0.015 0.000 1.034 87 R CB 0.115 30.479 30.300 0.106 0.000 0.993 87 R HN 0.171 nan 8.270 nan 0.000 0.459 88 L N 3.050 124.025 121.223 -0.413 0.000 2.475 88 L HA 0.360 4.700 4.340 0.000 0.000 0.253 88 L C 0.301 176.892 176.870 -0.465 0.000 1.198 88 L CA 0.322 54.813 54.840 -0.580 0.000 0.814 88 L CB 0.371 41.800 42.059 -1.051 0.000 1.134 88 L HN 0.475 nan 8.230 nan 0.000 0.478 89 I N -0.087 120.380 120.570 -0.173 0.000 2.582 89 I HA 0.280 4.450 4.170 0.000 0.000 0.292 89 I C -0.741 175.668 176.117 0.487 0.000 1.066 89 I CA -0.534 60.839 61.300 0.122 0.000 1.053 89 I CB 1.810 39.749 38.000 -0.102 0.000 1.241 89 I HN 0.546 nan 8.210 nan 0.000 0.421 90 H N 5.074 124.462 119.070 0.531 0.000 2.638 90 H HA 0.324 4.880 4.556 0.000 0.000 0.317 90 H C -1.343 174.231 175.328 0.410 0.000 1.006 90 H CA -0.712 55.604 56.048 0.446 0.000 1.222 90 H CB 0.956 30.916 29.762 0.329 0.000 1.419 90 H HN 0.625 nan 8.280 nan 0.000 0.489 91 H N 4.868 124.069 119.070 0.218 0.000 2.556 91 H HA 0.372 4.928 4.556 0.000 0.000 0.310 91 H C -1.282 174.049 175.328 0.006 0.000 1.057 91 H CA -0.415 55.695 56.048 0.102 0.000 1.264 91 H CB 0.468 30.288 29.762 0.098 0.000 1.404 91 H HN 0.271 nan 8.280 nan 0.000 0.462 92 V N 5.593 125.399 119.914 -0.181 0.000 2.638 92 V HA 0.215 4.335 4.120 0.000 0.000 0.306 92 V C -0.162 175.880 176.094 -0.086 0.000 1.052 92 V CA -1.381 60.840 62.300 -0.132 0.000 0.885 92 V CB 1.777 33.460 31.823 -0.235 0.000 0.999 92 V HN 0.872 nan 8.190 nan 0.000 0.424 93 K N 3.184 123.565 120.400 -0.032 0.000 3.278 93 K HA -0.245 4.075 4.320 0.000 0.000 0.270 93 K C 1.154 177.719 176.600 -0.059 0.000 0.955 93 K CA 0.945 57.227 56.287 -0.010 0.000 0.723 93 K CB -1.447 31.062 32.500 0.015 0.000 1.382 93 K HN 1.860 nan 8.250 nan 0.000 0.461 94 G N -0.390 108.347 108.800 -0.106 0.000 2.189 94 G HA2 -0.373 3.587 3.960 0.000 0.000 0.267 94 G HA3 -0.373 3.587 3.960 0.000 0.000 0.267 94 G C 0.035 174.752 174.900 -0.304 0.000 0.975 94 G CA 1.089 46.149 45.100 -0.067 0.000 0.644 94 G HN 0.465 nan 8.290 nan 0.000 0.537 95 K N 0.259 120.305 120.400 -0.590 0.000 2.378 95 K HA 0.630 4.950 4.320 0.000 0.000 0.252 95 K C -0.430 175.796 176.600 -0.623 0.000 0.931 95 K CA -0.473 55.531 56.287 -0.472 0.000 0.794 95 K CB 1.391 33.714 32.500 -0.294 0.000 1.181 95 K HN 0.045 nan 8.250 nan 0.000 0.425 96 S N 2.410 117.885 115.700 -0.376 0.000 2.508 96 S HA 0.374 4.844 4.470 0.000 0.000 0.284 96 S C -1.363 173.027 174.600 -0.350 0.000 1.192 96 S CA -0.378 57.736 58.200 -0.143 0.000 1.070 96 S CB 0.305 63.549 63.200 0.073 0.000 1.004 96 S HN 0.413 nan 8.310 nan 0.000 0.493 97 Y N 2.543 122.926 120.300 0.137 0.000 2.555 97 Y HA 0.343 4.893 4.550 0.000 0.000 0.326 97 Y C -2.473 173.627 175.900 0.333 0.000 0.984 97 Y CA -2.428 55.797 58.100 0.208 0.000 1.298 97 Y CB 0.667 39.238 38.460 0.185 0.000 1.094 97 Y HN 0.453 nan 8.280 nan 0.000 0.500 98 P HA 0.125 nan 4.420 nan 0.000 0.268 98 P C -0.896 176.676 177.300 0.455 0.000 1.205 98 P CA 0.122 63.437 63.100 0.357 0.000 0.771 98 P CB 0.351 32.264 31.700 0.355 0.000 0.858 99 F N -0.137 119.931 119.950 0.197 0.000 2.601 99 F HA 0.743 5.270 4.527 0.000 0.000 0.309 99 F C -0.366 175.499 175.800 0.109 0.000 1.089 99 F CA -1.660 56.434 58.000 0.157 0.000 0.940 99 F CB 1.472 40.562 39.000 0.148 0.000 1.273 99 F HN -0.028 nan 8.300 nan 0.000 0.450 100 R N 1.436 122.046 120.500 0.185 0.000 2.532 100 R HA 0.750 5.090 4.340 0.000 0.000 0.272 100 R C 0.293 176.666 176.300 0.122 0.000 1.032 100 R CA 0.751 56.888 56.100 0.062 0.000 1.089 100 R CB 1.243 31.590 30.300 0.078 0.000 1.098 100 R HN 1.448 nan 8.270 nan 0.000 0.526 101 G N 2.533 111.342 108.800 0.015 0.000 2.796 101 G HA2 -0.185 3.775 3.960 0.000 0.000 0.571 101 G HA3 -0.185 3.775 3.960 0.000 0.000 0.571 101 G C -1.926 172.958 174.900 -0.025 0.000 1.370 101 G CA -0.437 44.660 45.100 -0.005 0.000 0.856 101 G HN 0.541 nan 8.290 nan 0.000 0.538 102 P HA 0.168 nan 4.420 nan 0.000 0.220 102 P C 0.301 177.353 177.300 -0.414 0.000 1.152 102 P CA 1.190 63.956 63.100 -0.557 0.000 0.812 102 P CB 0.074 31.062 31.700 -1.186 0.000 0.792 103 F N -0.164 119.903 119.950 0.195 0.000 2.563 103 F HA 0.506 5.033 4.527 0.000 0.000 0.316 103 F C -2.432 173.102 175.800 -0.444 0.000 1.076 103 F CA -3.687 54.283 58.000 -0.050 0.000 0.921 103 F CB 0.162 39.058 39.000 -0.173 0.000 1.209 103 F HN -0.343 nan 8.300 nan 0.000 0.462 104 P HA 0.164 nan 4.420 nan 0.000 0.267 104 P C -2.473 174.533 177.300 -0.489 0.000 1.205 104 P CA -0.884 61.463 63.100 -1.256 0.000 0.765 104 P CB -0.175 30.958 31.700 -0.944 0.000 0.828 105 P HA 0.118 nan 4.420 nan 0.000 0.275 105 P C -0.928 176.133 177.300 -0.398 0.000 1.227 105 P CA 0.003 62.888 63.100 -0.358 0.000 0.781 105 P CB 0.691 32.153 31.700 -0.397 0.000 0.906 106 V N 3.513 123.191 119.914 -0.393 0.000 2.409 106 V HA 0.190 4.310 4.120 0.000 0.000 0.291 106 V C 0.515 176.440 176.094 -0.282 0.000 1.020 106 V CA -0.191 61.931 62.300 -0.298 0.000 0.848 106 V CB 1.294 32.929 31.823 -0.313 0.000 0.990 106 V HN 0.691 nan 8.190 nan 0.000 0.430 107 W N 1.508 122.788 121.300 -0.032 0.000 2.574 107 W HA 0.118 4.778 4.660 0.000 0.000 0.282 107 W C 1.497 178.007 176.519 -0.016 0.000 1.197 107 W CA -0.058 57.270 57.345 -0.029 0.000 1.376 107 W CB 0.243 29.687 29.460 -0.027 0.000 1.091 107 W HN 0.535 nan 8.180 nan 0.000 0.569 108 N N 2.052 120.886 118.700 0.224 0.000 2.434 108 N HA -0.038 4.702 4.740 0.000 0.000 0.268 108 N C -1.890 173.705 175.510 0.141 0.000 1.256 108 N CA -0.559 52.580 53.050 0.148 0.000 0.914 108 N CB 1.144 39.694 38.487 0.105 0.000 1.088 108 N HN -0.112 nan 8.380 nan 0.000 0.478 109 P HA -0.123 nan 4.420 nan 0.000 0.218 109 P C 1.447 178.837 177.300 0.150 0.000 1.148 109 P CA 0.784 63.957 63.100 0.123 0.000 0.822 109 P CB 0.362 32.107 31.700 0.076 0.000 0.784 110 I N -1.041 119.596 120.570 0.111 0.000 2.277 110 I HA -0.133 4.037 4.170 0.000 0.000 0.243 110 I C 1.945 178.126 176.117 0.108 0.000 1.094 110 I CA 1.733 63.087 61.300 0.090 0.000 1.393 110 I CB -1.910 36.133 38.000 0.073 0.000 1.078 110 I HN 0.004 nan 8.210 nan 0.000 0.417 111 T N 0.556 115.183 114.554 0.121 0.000 2.759 111 T HA -0.254 4.096 4.350 0.000 0.000 0.269 111 T C 1.863 176.651 174.700 0.147 0.000 1.042 111 T CA 1.505 63.690 62.100 0.142 0.000 1.140 111 T CB -0.583 68.343 68.868 0.097 0.000 0.864 111 T HN 0.320 nan 8.240 nan 0.000 0.455 112 Y N 1.576 121.878 120.300 0.003 0.000 2.181 112 Y HA -0.024 4.526 4.550 0.000 0.000 0.288 112 Y C 1.975 177.893 175.900 0.031 0.000 1.146 112 Y CA 1.061 59.147 58.100 -0.022 0.000 1.164 112 Y CB -0.409 38.019 38.460 -0.053 0.000 0.982 112 Y HN 0.117 nan 8.280 nan 0.000 0.515 113 L N -0.127 121.152 121.223 0.093 0.000 2.131 113 L HA -0.183 4.157 4.340 0.000 0.000 0.210 113 L C 1.981 178.805 176.870 -0.076 0.000 1.092 113 L CA 1.650 56.486 54.840 -0.006 0.000 0.759 113 L CB -0.477 41.598 42.059 0.027 0.000 0.903 113 L HN 0.239 nan 8.230 nan 0.000 0.435 114 D N -1.067 119.322 120.400 -0.018 0.000 2.137 114 D HA -0.159 4.481 4.640 0.000 0.000 0.202 114 D C 2.180 178.438 176.300 -0.071 0.000 0.970 114 D CA 1.069 55.057 54.000 -0.020 0.000 0.837 114 D CB 0.114 40.942 40.800 0.047 0.000 0.981 114 D HN 0.273 nan 8.370 nan 0.000 0.475 115 H N -0.010 118.953 119.070 -0.177 0.000 2.293 115 H HA -0.115 4.441 4.556 0.000 0.000 0.300 115 H C 2.123 177.345 175.328 -0.177 0.000 1.082 115 H CA 1.241 57.173 56.048 -0.193 0.000 1.308 115 H CB -0.217 29.473 29.762 -0.120 0.000 1.375 115 H HN 0.272 nan 8.280 nan 0.000 0.495 116 N N 1.039 119.636 118.700 -0.172 0.000 2.061 116 N HA -0.196 4.544 4.740 0.000 0.000 0.193 116 N C 1.861 177.291 175.510 -0.133 0.000 1.030 116 N CA 1.058 53.984 53.050 -0.206 0.000 0.856 116 N CB -0.213 38.016 38.487 -0.429 0.000 1.023 116 N HN 0.406 nan 8.380 nan 0.000 0.424 117 N N -0.033 118.578 118.700 -0.147 0.000 2.188 117 N HA -0.179 4.561 4.740 0.000 0.000 0.184 117 N C 1.908 177.311 175.510 -0.178 0.000 1.018 117 N CA 0.693 53.658 53.050 -0.142 0.000 0.858 117 N CB -0.293 38.122 38.487 -0.120 0.000 0.989 117 N HN 0.231 nan 8.380 nan 0.000 0.426 118 F N 0.795 120.529 119.950 -0.361 0.000 2.046 118 F HA -0.151 4.376 4.527 0.000 0.000 0.297 118 F C 1.782 177.285 175.800 -0.495 0.000 1.123 118 F CA 1.793 59.481 58.000 -0.520 0.000 1.199 118 F CB -0.864 37.638 39.000 -0.831 0.000 0.972 118 F HN 0.084 nan 8.300 nan 0.000 0.474 119 W N 0.465 121.515 121.300 -0.417 0.000 2.358 119 W HA -0.090 4.570 4.660 0.000 0.000 0.303 119 W C 2.797 179.045 176.519 -0.452 0.000 1.208 119 W CA 1.201 58.230 57.345 -0.527 0.000 1.274 119 W CB -0.631 28.598 29.460 -0.386 0.000 1.138 119 W HN -0.068 nan 8.180 nan 0.000 0.515 120 R N 0.289 120.706 120.500 -0.138 0.000 2.073 120 R HA -0.153 4.187 4.340 0.000 0.000 0.234 120 R C 1.914 178.089 176.300 -0.209 0.000 1.134 120 R CA 2.236 58.240 56.100 -0.159 0.000 0.952 120 R CB -0.690 29.522 30.300 -0.146 0.000 0.850 120 R HN 0.041 nan 8.270 nan 0.000 0.433 121 T N 1.381 115.772 114.554 -0.271 0.000 2.777 121 T HA -0.114 4.236 4.350 0.000 0.000 0.266 121 T C 1.870 176.375 174.700 -0.326 0.000 1.040 121 T CA 1.356 63.295 62.100 -0.270 0.000 1.141 121 T CB -0.058 68.653 68.868 -0.262 0.000 0.868 121 T HN 0.170 nan 8.240 nan 0.000 0.444 122 M N 1.726 121.046 119.600 -0.466 0.000 2.082 122 M HA -0.126 4.354 4.480 0.000 0.000 0.258 122 M C 1.884 178.031 176.300 -0.255 0.000 1.069 122 M CA 1.578 56.636 55.300 -0.403 0.000 1.102 122 M CB -1.118 31.199 32.600 -0.472 0.000 1.336 122 M HN 0.200 nan 8.290 nan 0.000 0.404 123 D N 0.497 120.768 120.400 -0.216 0.000 2.144 123 D HA -0.129 4.511 4.640 0.000 0.000 0.200 123 D C 1.600 177.817 176.300 -0.137 0.000 0.978 123 D CA 1.086 54.987 54.000 -0.164 0.000 0.833 123 D CB -0.334 40.378 40.800 -0.147 0.000 0.961 123 D HN 0.311 nan 8.370 nan 0.000 0.470 124 D N 0.434 120.752 120.400 -0.137 0.000 2.104 124 D HA -0.126 4.514 4.640 0.000 0.000 0.194 124 D C 2.215 178.488 176.300 -0.045 0.000 0.994 124 D CA 0.804 54.750 54.000 -0.089 0.000 0.830 124 D CB -0.297 40.451 40.800 -0.088 0.000 0.959 124 D HN 0.249 nan 8.370 nan 0.000 0.452 125 M N 0.282 119.823 119.600 -0.099 0.000 2.117 125 M HA -0.054 4.426 4.480 0.000 0.000 0.262 125 M C 2.345 178.664 176.300 0.032 0.000 1.065 125 M CA 1.663 56.918 55.300 -0.076 0.000 1.114 125 M CB -0.462 31.833 32.600 -0.508 0.000 1.361 125 M HN 0.041 nan 8.290 nan 0.000 0.408 126 G N 0.206 108.967 108.800 -0.066 0.000 2.440 126 G HA2 -0.215 3.745 3.960 0.000 0.000 0.218 126 G HA3 -0.215 3.745 3.960 0.000 0.000 0.218 126 G C 1.606 176.492 174.900 -0.023 0.000 1.154 126 G CA 0.637 45.705 45.100 -0.052 0.000 0.767 126 G HN 0.396 nan 8.290 nan 0.000 0.552 127 R N 0.198 120.678 120.500 -0.033 0.000 2.200 127 R HA -0.044 4.296 4.340 0.000 0.000 0.234 127 R C 2.049 178.349 176.300 -0.000 0.000 1.127 127 R CA 1.032 57.113 56.100 -0.033 0.000 0.989 127 R CB -0.006 30.269 30.300 -0.041 0.000 0.869 127 R HN 0.304 nan 8.270 nan 0.000 0.459 128 E N 0.195 120.434 120.200 0.066 0.000 2.435 128 E HA 0.023 4.373 4.350 0.000 0.000 0.195 128 E C 0.333 176.958 176.600 0.042 0.000 1.029 128 E CA 0.533 56.974 56.400 0.069 0.000 0.865 128 E CB 0.279 30.077 29.700 0.164 0.000 0.833 128 E HN 0.347 nan 8.360 nan 0.000 0.510 129 I N 2.985 123.596 120.570 0.069 0.000 2.330 129 I HA 0.191 4.361 4.170 0.000 0.000 0.289 129 I C -2.387 173.726 176.117 -0.006 0.000 1.001 129 I CA -2.360 58.974 61.300 0.057 0.000 1.193 129 I CB 1.372 39.470 38.000 0.164 0.000 1.345 129 I HN -0.330 nan 8.210 nan 0.000 0.461 130 P HA 0.138 nan 4.420 nan 0.000 0.271 130 P C 0.496 177.761 177.300 -0.058 0.000 1.220 130 P CA 0.059 63.086 63.100 -0.122 0.000 0.768 130 P CB 1.021 32.593 31.700 -0.214 0.000 0.848 131 S N 1.951 117.639 115.700 -0.020 0.000 2.370 131 S HA -0.170 4.300 4.470 0.000 0.000 0.226 131 S C 1.248 175.947 174.600 0.165 0.000 1.033 131 S CA 1.888 60.158 58.200 0.116 0.000 1.011 131 S CB -0.615 62.560 63.200 -0.041 0.000 0.852 131 S HN 0.682 nan 8.310 nan 0.000 0.457 132 D N 0.147 120.492 120.400 -0.092 0.000 2.339 132 D HA 0.274 4.914 4.640 0.000 0.000 0.217 132 D C 0.264 176.333 176.300 -0.386 0.000 1.050 132 D CA 0.373 54.271 54.000 -0.170 0.000 0.856 132 D CB 0.112 40.748 40.800 -0.273 0.000 0.922 132 D HN 0.266 nan 8.370 nan 0.000 0.518 133 A N 1.084 123.509 122.820 -0.659 0.000 3.330 133 A HA 0.344 4.664 4.320 0.000 0.000 0.256 133 A C -2.120 174.620 177.584 -1.406 0.000 1.185 133 A CA -0.752 50.406 52.037 -1.465 0.000 0.940 133 A CB 0.784 19.235 19.000 -0.915 0.000 1.397 133 A HN -0.108 nan 8.150 nan 0.000 0.678 134 P HA -0.200 nan 4.420 nan 0.000 0.217 134 P C 1.328 178.398 177.300 -0.382 0.000 1.148 134 P CA 1.719 64.469 63.100 -0.584 0.000 0.828 134 P CB -0.373 30.947 31.700 -0.632 0.000 0.783 135 W N 0.912 122.129 121.300 -0.138 0.000 2.480 135 W HA 0.045 4.705 4.660 0.000 0.000 0.257 135 W C 1.450 177.919 176.519 -0.083 0.000 1.235 135 W CA 0.543 57.831 57.345 -0.095 0.000 1.218 135 W CB -1.552 27.850 29.460 -0.098 0.000 1.131 135 W HN -0.077 nan 8.180 nan 0.000 0.606 136 K N 0.709 120.917 120.400 -0.321 0.000 2.404 136 K HA 0.295 4.615 4.320 0.000 0.000 0.194 136 K C 1.118 177.625 176.600 -0.155 0.000 1.023 136 K CA 0.211 56.392 56.287 -0.178 0.000 1.094 136 K CB -0.063 32.288 32.500 -0.247 0.000 0.841 136 K HN 0.098 nan 8.250 nan 0.000 0.523 137 A N 2.251 124.974 122.820 -0.162 0.000 2.561 137 A HA 0.046 4.366 4.320 0.000 0.000 0.234 137 A C -1.652 175.801 177.584 -0.219 0.000 1.055 137 A CA -0.901 51.036 52.037 -0.167 0.000 0.756 137 A CB 0.033 18.953 19.000 -0.132 0.000 0.986 137 A HN 0.004 nan 8.150 nan 0.000 0.505 138 P HA -0.126 nan 4.420 nan 0.000 0.216 138 P C 0.513 177.617 177.300 -0.326 0.000 1.150 138 P CA 1.242 64.201 63.100 -0.234 0.000 0.843 138 P CB 0.048 31.627 31.700 -0.202 0.000 0.787 139 L N -2.369 118.499 121.223 -0.590 0.000 2.928 139 L HA 0.357 4.697 4.340 0.000 0.000 0.246 139 L C 1.872 178.331 176.870 -0.685 0.000 1.239 139 L CA -0.295 54.096 54.840 -0.749 0.000 1.035 139 L CB -0.473 40.872 42.059 -1.190 0.000 1.360 139 L HN -0.112 nan 8.230 nan 0.000 0.529 140 A N 0.676 123.278 122.820 -0.364 0.000 1.884 140 A HA -0.235 4.085 4.320 0.000 0.000 0.219 140 A C 2.192 179.771 177.584 -0.008 0.000 1.197 140 A CA 1.855 53.826 52.037 -0.111 0.000 0.637 140 A CB -0.210 18.776 19.000 -0.024 0.000 0.827 140 A HN 0.504 nan 8.150 nan 0.000 0.450 141 E N -0.811 119.369 120.200 -0.033 0.000 2.038 141 E HA -0.265 4.085 4.350 0.000 0.000 0.195 141 E C 2.104 178.734 176.600 0.051 0.000 1.000 141 E CA 1.406 57.817 56.400 0.019 0.000 0.803 141 E CB -0.372 29.326 29.700 -0.005 0.000 0.750 141 E HN 0.847 nan 8.360 nan 0.000 0.448 142 E N 0.058 120.256 120.200 -0.003 0.000 2.070 142 E HA -0.213 4.137 4.350 0.000 0.000 0.197 142 E C 1.799 178.561 176.600 0.270 0.000 1.004 142 E CA 1.427 57.873 56.400 0.077 0.000 0.805 142 E CB -0.032 29.666 29.700 -0.003 0.000 0.744 142 E HN 0.287 nan 8.360 nan 0.000 0.451 143 W N 0.702 122.043 121.300 0.067 0.000 2.476 143 W HA 0.013 4.673 4.660 0.000 0.000 0.281 143 W C 1.922 178.511 176.519 0.117 0.000 1.230 143 W CA 0.629 58.026 57.345 0.087 0.000 1.287 143 W CB -0.941 28.570 29.460 0.084 0.000 1.108 143 W HN 0.211 nan 8.180 nan 0.000 0.567 144 D N -0.199 120.400 120.400 0.332 0.000 2.277 144 D HA -0.118 4.522 4.640 0.000 0.000 0.208 144 D C 1.148 177.574 176.300 0.211 0.000 0.962 144 D CA 0.916 55.075 54.000 0.265 0.000 0.865 144 D CB -0.207 40.724 40.800 0.219 0.000 0.939 144 D HN -0.119 nan 8.370 nan 0.000 0.510 145 N N -0.139 118.670 118.700 0.181 0.000 2.362 145 N HA 0.092 4.832 4.740 0.000 0.000 0.204 145 N C -0.291 175.299 175.510 0.134 0.000 1.166 145 N CA 0.111 53.244 53.050 0.138 0.000 0.831 145 N CB 0.229 38.780 38.487 0.107 0.000 1.008 145 N HN 0.322 nan 8.380 nan 0.000 0.472 146 M N 0.295 119.991 119.600 0.160 0.000 2.393 146 M HA 0.220 4.700 4.480 0.000 0.000 0.299 146 M C -0.372 176.012 176.300 0.140 0.000 1.103 146 M CA -0.566 54.816 55.300 0.137 0.000 0.910 146 M CB 1.801 34.494 32.600 0.155 0.000 1.659 146 M HN 0.045 nan 8.290 nan 0.000 0.445 147 T N 0.939 115.558 114.554 0.108 0.000 2.788 147 T HA 0.257 4.607 4.350 0.000 0.000 0.280 147 T C 1.071 175.816 174.700 0.075 0.000 0.984 147 T CA -0.825 61.337 62.100 0.103 0.000 0.972 147 T CB 0.802 69.721 68.868 0.086 0.000 1.039 147 T HN 0.729 nan 8.240 nan 0.000 0.530 148 M N 0.066 119.694 119.600 0.047 0.000 2.296 148 M HA 0.035 4.515 4.480 0.000 0.000 0.265 148 M C 2.183 178.463 176.300 -0.035 0.000 1.064 148 M CA 1.455 56.748 55.300 -0.012 0.000 1.109 148 M CB -1.338 31.179 32.600 -0.139 0.000 1.396 148 M HN 0.874 nan 8.290 nan 0.000 0.430 149 K N 0.728 121.114 120.400 -0.023 0.000 2.026 149 K HA -0.182 4.138 4.320 0.000 0.000 0.208 149 K C 1.677 178.264 176.600 -0.021 0.000 1.048 149 K CA 1.689 57.963 56.287 -0.020 0.000 0.929 149 K CB 0.041 32.558 32.500 0.028 0.000 0.713 149 K HN 0.373 nan 8.250 nan 0.000 0.439 150 E N 0.411 120.613 120.200 0.002 0.000 2.077 150 E HA -0.214 4.136 4.350 0.000 0.000 0.193 150 E C 2.030 178.626 176.600 -0.008 0.000 0.989 150 E CA 1.135 57.535 56.400 -0.000 0.000 0.800 150 E CB -0.144 29.571 29.700 0.025 0.000 0.746 150 E HN 0.209 nan 8.360 nan 0.000 0.452 151 L N 1.126 122.348 121.223 -0.001 0.000 2.017 151 L HA -0.161 4.179 4.340 0.000 0.000 0.208 151 L C 2.091 178.958 176.870 -0.006 0.000 1.073 151 L CA 1.538 56.373 54.840 -0.009 0.000 0.745 151 L CB -0.348 41.700 42.059 -0.019 0.000 0.894 151 L HN 0.114 nan 8.230 nan 0.000 0.432 152 L N -0.793 120.417 121.223 -0.022 0.000 2.042 152 L HA -0.236 4.104 4.340 0.000 0.000 0.210 152 L C 2.247 179.055 176.870 -0.104 0.000 1.076 152 L CA 1.371 56.164 54.840 -0.078 0.000 0.749 152 L CB -1.088 40.873 42.059 -0.163 0.000 0.893 152 L HN 0.278 nan 8.230 nan 0.000 0.432 153 D N 0.336 120.680 120.400 -0.093 0.000 2.149 153 D HA -0.184 4.456 4.640 0.000 0.000 0.198 153 D C 2.215 178.438 176.300 -0.128 0.000 0.990 153 D CA 1.304 55.236 54.000 -0.114 0.000 0.839 153 D CB -0.007 40.738 40.800 -0.091 0.000 0.948 153 D HN 0.288 nan 8.370 nan 0.000 0.460 154 K N -0.348 120.009 120.400 -0.072 0.000 2.076 154 K HA 0.090 4.410 4.320 0.000 0.000 0.204 154 K C 2.166 178.777 176.600 0.020 0.000 1.051 154 K CA 0.371 56.633 56.287 -0.041 0.000 0.949 154 K CB 0.165 32.667 32.500 0.002 0.000 0.726 154 K HN 0.098 nan 8.250 nan 0.000 0.443 155 L N 0.120 121.370 121.223 0.044 0.000 2.249 155 L HA 0.024 4.364 4.340 0.000 0.000 0.207 155 L C 0.567 177.554 176.870 0.195 0.000 1.090 155 L CA -0.038 54.883 54.840 0.135 0.000 0.802 155 L CB 0.316 42.452 42.059 0.128 0.000 0.947 155 L HN 0.102 nan 8.230 nan 0.000 0.453 156 C N -0.178 119.143 119.300 0.035 0.000 2.303 156 C HA 0.113 4.573 4.460 0.000 0.000 0.341 156 C C 0.707 175.709 174.990 0.019 0.000 1.244 156 C CA -0.853 58.150 59.018 -0.026 0.000 1.765 156 C CB -0.826 26.771 27.740 -0.237 0.000 2.379 156 C HN 0.469 nan 8.230 nan 0.000 0.530 157 W N 1.987 123.227 121.300 -0.099 0.000 3.290 157 W HA 0.169 4.829 4.660 0.000 0.000 0.287 157 W C 1.285 177.771 176.519 -0.055 0.000 1.288 157 W CA 0.026 57.333 57.345 -0.063 0.000 1.725 157 W CB -0.041 29.394 29.460 -0.041 0.000 1.103 157 W HN 0.699 nan 8.180 nan 0.000 0.670 158 T N -4.023 110.587 114.554 0.093 0.000 2.900 158 T HA 0.290 4.640 4.350 0.000 0.000 0.295 158 T C 0.747 175.427 174.700 -0.032 0.000 1.044 158 T CA -0.639 61.487 62.100 0.044 0.000 0.995 158 T CB 2.595 71.511 68.868 0.080 0.000 1.072 158 T HN -0.207 nan 8.240 nan 0.000 0.473 159 E N 0.942 121.128 120.200 -0.024 0.000 2.204 159 E HA -0.098 4.252 4.350 0.000 0.000 0.194 159 E C 2.072 178.649 176.600 -0.040 0.000 0.989 159 E CA 1.077 57.450 56.400 -0.045 0.000 0.824 159 E CB -0.211 29.474 29.700 -0.026 0.000 0.756 159 E HN 0.723 nan 8.360 nan 0.000 0.477 160 S N 0.660 116.368 115.700 0.014 0.000 2.359 160 S HA -0.167 4.303 4.470 0.000 0.000 0.224 160 S C 2.090 176.679 174.600 -0.018 0.000 1.035 160 S CA 1.461 59.714 58.200 0.087 0.000 1.018 160 S CB -0.033 63.292 63.200 0.208 0.000 0.876 160 S HN 0.294 nan 8.310 nan 0.000 0.448 161 A N 1.294 123.964 122.820 -0.250 0.000 1.898 161 A HA -0.034 4.286 4.320 0.000 0.000 0.216 161 A C 2.175 179.383 177.584 -0.628 0.000 1.181 161 A CA 1.760 53.342 52.037 -0.758 0.000 0.620 161 A CB -0.730 17.845 19.000 -0.708 0.000 0.819 161 A HN 0.651 nan 8.150 nan 0.000 0.442 162 K N -0.485 119.671 120.400 -0.408 0.000 2.057 162 K HA -0.210 4.110 4.320 0.000 0.000 0.207 162 K C 2.251 178.692 176.600 -0.265 0.000 1.049 162 K CA 1.720 57.788 56.287 -0.365 0.000 0.931 162 K CB -0.217 32.144 32.500 -0.233 0.000 0.714 162 K HN 0.614 nan 8.250 nan 0.000 0.440 163 Q N 0.226 119.935 119.800 -0.151 0.000 2.096 163 Q HA -0.184 4.156 4.340 0.000 0.000 0.204 163 Q C 2.120 178.112 176.000 -0.014 0.000 0.982 163 Q CA 1.436 57.210 55.803 -0.048 0.000 0.850 163 Q CB -0.087 28.663 28.738 0.020 0.000 0.901 163 Q HN 0.232 nan 8.270 nan 0.000 0.422 164 L N 0.246 121.447 121.223 -0.037 0.000 2.109 164 L HA -0.039 4.301 4.340 0.000 0.000 0.207 164 L C 2.073 178.954 176.870 0.018 0.000 1.086 164 L CA 1.871 56.747 54.840 0.061 0.000 0.760 164 L CB -0.749 41.383 42.059 0.121 0.000 0.910 164 L HN 0.115 nan 8.230 nan 0.000 0.437 165 A N -1.773 120.851 122.820 -0.327 0.000 1.930 165 A HA -0.174 4.146 4.320 0.000 0.000 0.217 165 A C 2.255 179.793 177.584 -0.076 0.000 1.175 165 A CA 2.131 53.907 52.037 -0.435 0.000 0.627 165 A CB -1.061 17.145 19.000 -1.324 0.000 0.815 165 A HN 0.473 nan 8.150 nan 0.000 0.443 166 T N 0.049 114.534 114.554 -0.116 0.000 2.708 166 T HA -0.105 4.245 4.350 0.000 0.000 0.266 166 T C 1.860 176.571 174.700 0.019 0.000 1.037 166 T CA 1.376 63.437 62.100 -0.064 0.000 1.146 166 T CB -0.362 68.469 68.868 -0.062 0.000 0.865 166 T HN 0.391 nan 8.240 nan 0.000 0.435 167 L N 0.179 121.456 121.223 0.089 0.000 2.046 167 L HA -0.060 4.280 4.340 0.000 0.000 0.208 167 L C 2.217 179.196 176.870 0.181 0.000 1.077 167 L CA 1.480 56.406 54.840 0.144 0.000 0.747 167 L CB -0.364 41.816 42.059 0.200 0.000 0.896 167 L HN 0.247 nan 8.230 nan 0.000 0.432 168 F N -0.389 119.629 119.950 0.114 0.000 2.095 168 F HA -0.242 4.285 4.527 0.000 0.000 0.298 168 F C 2.074 177.972 175.800 0.163 0.000 1.104 168 F CA 2.092 60.209 58.000 0.195 0.000 1.232 168 F CB -0.482 38.774 39.000 0.428 0.000 0.987 168 F HN -0.143 nan 8.300 nan 0.000 0.475 169 V N 1.113 121.012 119.914 -0.025 0.000 2.295 169 V HA -0.355 3.765 4.120 0.000 0.000 0.246 169 V C 2.014 177.983 176.094 -0.208 0.000 1.049 169 V CA 2.463 64.560 62.300 -0.338 0.000 1.024 169 V CB -1.116 30.385 31.823 -0.537 0.000 0.648 169 V HN 0.419 nan 8.190 nan 0.000 0.447 170 N N 0.124 118.747 118.700 -0.128 0.000 2.061 170 N HA -0.232 4.508 4.740 0.000 0.000 0.193 170 N C 1.772 177.229 175.510 -0.087 0.000 1.030 170 N CA 1.450 54.440 53.050 -0.099 0.000 0.856 170 N CB -0.239 38.233 38.487 -0.025 0.000 1.023 170 N HN 0.339 nan 8.380 nan 0.000 0.424 171 L N 0.808 121.999 121.223 -0.053 0.000 2.072 171 L HA -0.029 4.311 4.340 0.000 0.000 0.205 171 L C 2.020 178.887 176.870 -0.004 0.000 1.079 171 L CA 1.455 56.271 54.840 -0.041 0.000 0.752 171 L CB -0.468 41.539 42.059 -0.087 0.000 0.906 171 L HN 0.236 nan 8.230 nan 0.000 0.436 172 C N -1.425 117.831 119.300 -0.074 0.000 2.440 172 C HA -0.007 4.453 4.460 0.000 0.000 0.278 172 C C 2.198 177.291 174.990 0.172 0.000 1.295 172 C CA 0.872 59.913 59.018 0.038 0.000 1.738 172 C CB -0.630 27.051 27.740 -0.098 0.000 1.987 172 C HN 0.570 nan 8.230 nan 0.000 0.492 173 V N -2.156 117.775 119.914 0.028 0.000 3.276 173 V HA 0.292 4.412 4.120 0.000 0.000 0.319 173 V C 0.782 176.742 176.094 -0.222 0.000 1.476 173 V CA 0.748 63.028 62.300 -0.033 0.000 1.097 173 V CB -1.407 30.508 31.823 0.154 0.000 0.988 173 V HN 0.502 nan 8.190 nan 0.000 0.473 174 T N -1.219 113.116 114.554 -0.365 0.000 3.760 174 T HA -0.100 4.250 4.350 0.000 0.000 0.366 174 T C 0.168 174.692 174.700 -0.294 0.000 0.761 174 T CA 1.323 63.181 62.100 -0.402 0.000 1.887 174 T CB -2.541 65.944 68.868 -0.638 0.000 1.811 174 T HN 2.367 nan 8.240 nan 0.000 0.749 175 A N -0.255 122.381 122.820 -0.308 0.000 2.569 175 A HA 0.753 5.073 4.320 0.000 0.000 0.290 175 A C -0.404 176.963 177.584 -0.362 0.000 1.136 175 A CA -1.074 50.708 52.037 -0.424 0.000 0.710 175 A CB 1.221 19.726 19.000 -0.824 0.000 1.303 175 A HN 0.354 nan 8.150 nan 0.000 0.413 176 E N 0.544 120.483 120.200 -0.435 0.000 2.349 176 E HA 0.248 4.598 4.350 0.000 0.000 0.265 176 E C 1.214 177.512 176.600 -0.503 0.000 1.064 176 E CA 0.492 56.601 56.400 -0.486 0.000 0.886 176 E CB 0.991 30.197 29.700 -0.823 0.000 1.036 176 E HN 0.805 nan 8.360 nan 0.000 0.413 177 T N -1.115 113.223 114.554 -0.359 0.000 2.778 177 T HA -0.234 4.116 4.350 0.000 0.000 0.269 177 T C 1.450 176.044 174.700 -0.176 0.000 1.050 177 T CA 1.829 63.777 62.100 -0.254 0.000 1.137 177 T CB -0.426 68.344 68.868 -0.163 0.000 0.860 177 T HN 0.638 nan 8.240 nan 0.000 0.468 178 H N 0.525 119.540 119.070 -0.091 0.000 2.547 178 H HA 0.246 4.802 4.556 0.000 0.000 0.272 178 H C 1.552 176.854 175.328 -0.042 0.000 0.989 178 H CA 0.862 56.875 56.048 -0.057 0.000 1.214 178 H CB -0.203 29.525 29.762 -0.057 0.000 1.389 178 H HN 0.500 nan 8.280 nan 0.000 0.577 179 E N 1.436 121.482 120.200 -0.258 0.000 2.299 179 E HA 0.036 4.386 4.350 0.000 0.000 0.193 179 E C 0.769 177.346 176.600 -0.039 0.000 0.998 179 E CA 0.461 56.783 56.400 -0.131 0.000 0.851 179 E CB 0.779 30.269 29.700 -0.350 0.000 0.795 179 E HN 0.358 nan 8.360 nan 0.000 0.492 180 V N -1.104 118.774 119.914 -0.060 0.000 2.628 180 V HA 0.414 4.534 4.120 0.000 0.000 0.306 180 V C -0.062 176.167 176.094 0.224 0.000 1.045 180 V CA -1.138 61.223 62.300 0.102 0.000 0.905 180 V CB 1.892 33.792 31.823 0.127 0.000 0.997 180 V HN -0.039 nan 8.190 nan 0.000 0.436 181 S N 3.720 119.622 115.700 0.336 0.000 2.552 181 S HA 0.400 4.870 4.470 0.000 0.000 0.289 181 S C 1.458 176.311 174.600 0.422 0.000 1.304 181 S CA 0.251 58.671 58.200 0.365 0.000 1.063 181 S CB 0.877 64.332 63.200 0.425 0.000 0.848 181 S HN 1.764 nan 8.310 nan 0.000 0.499 182 A N 5.059 128.061 122.820 0.303 0.000 1.898 182 A HA -0.014 4.306 4.320 0.000 0.000 0.216 182 A C 2.014 179.777 177.584 0.298 0.000 1.181 182 A CA 1.505 53.695 52.037 0.255 0.000 0.620 182 A CB -0.883 18.191 19.000 0.122 0.000 0.819 182 A HN 0.930 nan 8.150 nan 0.000 0.442 183 L N -1.371 120.068 121.223 0.359 0.000 2.013 183 L HA -0.182 4.158 4.340 0.000 0.000 0.212 183 L C 2.226 179.330 176.870 0.390 0.000 1.073 183 L CA 2.606 57.686 54.840 0.400 0.000 0.753 183 L CB -0.818 41.484 42.059 0.404 0.000 0.890 183 L HN 0.658 nan 8.230 nan 0.000 0.432 184 W N -0.508 120.958 121.300 0.276 0.000 2.335 184 W HA -0.304 4.356 4.660 0.000 0.000 0.311 184 W C 2.402 179.187 176.519 0.443 0.000 1.213 184 W CA 2.097 59.630 57.345 0.313 0.000 1.274 184 W CB -0.728 28.906 29.460 0.291 0.000 1.148 184 W HN 0.295 nan 8.180 nan 0.000 0.498 185 F N 0.647 120.696 119.950 0.166 0.000 2.171 185 F HA -0.152 4.375 4.527 0.000 0.000 0.300 185 F C 2.021 177.760 175.800 -0.102 0.000 1.090 185 F CA 1.990 59.897 58.000 -0.156 0.000 1.293 185 F CB -0.583 38.477 39.000 0.101 0.000 1.013 185 F HN -0.161 nan 8.300 nan 0.000 0.486 186 L N -1.373 119.858 121.223 0.012 0.000 2.093 186 L HA -0.191 4.149 4.340 0.000 0.000 0.208 186 L C 2.256 179.043 176.870 -0.137 0.000 1.085 186 L CA 1.477 56.262 54.840 -0.093 0.000 0.755 186 L CB -0.969 41.059 42.059 -0.052 0.000 0.904 186 L HN 0.420 nan 8.230 nan 0.000 0.435 187 W N 0.077 121.242 121.300 -0.226 0.000 2.355 187 W HA -0.310 4.350 4.660 0.000 0.000 0.309 187 W C 2.639 178.937 176.519 -0.369 0.000 1.206 187 W CA 1.582 58.775 57.345 -0.253 0.000 1.284 187 W CB -0.651 28.686 29.460 -0.205 0.000 1.145 187 W HN 0.123 nan 8.180 nan 0.000 0.502 188 Y N 0.450 120.267 120.300 -0.806 0.000 2.165 188 Y HA -0.269 4.281 4.550 0.000 0.000 0.286 188 Y C 2.313 177.647 175.900 -0.943 0.000 1.155 188 Y CA 2.837 60.262 58.100 -1.125 0.000 1.164 188 Y CB -0.692 37.075 38.460 -1.154 0.000 0.978 188 Y HN -0.143 nan 8.280 nan 0.000 0.513 189 V N 0.811 120.303 119.914 -0.702 0.000 2.307 189 V HA -0.280 3.840 4.120 0.000 0.000 0.245 189 V C 2.307 178.064 176.094 -0.561 0.000 1.045 189 V CA 2.210 64.168 62.300 -0.569 0.000 1.024 189 V CB -0.715 30.846 31.823 -0.436 0.000 0.651 189 V HN 0.387 nan 8.190 nan 0.000 0.449 190 K N 2.124 122.212 120.400 -0.520 0.000 2.097 190 K HA -0.257 4.063 4.320 0.000 0.000 0.206 190 K C 1.946 178.206 176.600 -0.567 0.000 1.049 190 K CA 2.274 58.293 56.287 -0.447 0.000 0.933 190 K CB -0.601 31.718 32.500 -0.302 0.000 0.717 190 K HN 0.611 nan 8.250 nan 0.000 0.442 191 Q N -0.652 118.650 119.800 -0.829 0.000 2.436 191 Q HA 0.046 4.386 4.340 0.000 0.000 0.209 191 Q C 1.425 176.918 176.000 -0.844 0.000 0.965 191 Q CA 1.250 56.569 55.803 -0.806 0.000 0.910 191 Q CB -0.638 27.431 28.738 -1.115 0.000 0.980 191 Q HN 0.312 nan 8.270 nan 0.000 0.491 192 C N 0.072 118.721 119.300 -1.085 0.000 2.626 192 C HA 0.542 5.002 4.460 0.000 0.000 0.266 192 C C 1.611 175.828 174.990 -1.289 0.000 1.317 192 C CA 0.393 58.409 59.018 -1.670 0.000 1.716 192 C CB -0.983 25.833 27.740 -1.539 0.000 1.819 192 C HN 0.851 nan 8.230 nan 0.000 0.578 193 G N -0.294 108.096 108.800 -0.685 0.000 2.163 193 G HA2 0.305 4.265 3.960 0.000 0.000 0.213 193 G HA3 0.305 4.265 3.960 0.000 0.000 0.213 193 G C 0.429 175.155 174.900 -0.290 0.000 0.991 193 G CA -0.033 44.836 45.100 -0.385 0.000 0.653 193 G HN 1.609 nan 8.290 nan 0.000 0.518 194 G N -2.009 106.594 108.800 -0.327 0.000 2.525 194 G HA2 0.351 4.311 3.960 0.000 0.000 0.685 194 G HA3 0.351 4.311 3.960 0.000 0.000 0.685 194 G C 0.987 175.793 174.900 -0.158 0.000 1.290 194 G CA 0.935 45.902 45.100 -0.222 0.000 0.915 194 G HN 1.798 nan 8.290 nan 0.000 0.548 195 T N -2.746 111.739 114.554 -0.114 0.000 2.684 195 T HA -0.126 4.224 4.350 0.000 0.000 0.267 195 T C 2.355 176.987 174.700 -0.114 0.000 1.036 195 T CA 2.988 65.040 62.100 -0.081 0.000 1.148 195 T CB -0.864 67.874 68.868 -0.217 0.000 0.863 195 T HN 0.968 nan 8.240 nan 0.000 0.436 196 T N 1.451 115.925 114.554 -0.134 0.000 2.674 196 T HA -0.052 4.298 4.350 0.000 0.000 0.265 196 T C 2.124 176.870 174.700 0.076 0.000 1.039 196 T CA 1.562 63.661 62.100 -0.001 0.000 1.150 196 T CB -0.349 68.545 68.868 0.044 0.000 0.864 196 T HN 0.300 nan 8.240 nan 0.000 0.427 197 R N 0.877 121.390 120.500 0.022 0.000 2.120 197 R HA 0.124 4.464 4.340 0.000 0.000 0.234 197 R C 2.158 178.532 176.300 0.123 0.000 1.123 197 R CA 1.090 57.226 56.100 0.060 0.000 0.975 197 R CB -0.806 29.485 30.300 -0.015 0.000 0.866 197 R HN 0.495 nan 8.270 nan 0.000 0.446 198 I N -0.846 119.753 120.570 0.048 0.000 2.406 198 I HA -0.121 4.049 4.170 0.000 0.000 0.249 198 I C 1.406 177.639 176.117 0.193 0.000 1.122 198 I CA 0.956 62.323 61.300 0.113 0.000 1.431 198 I CB 0.129 38.136 38.000 0.011 0.000 1.087 198 I HN 0.208 nan 8.210 nan 0.000 0.424 199 I N -0.293 120.396 120.570 0.198 0.000 3.783 199 I HA 0.096 4.266 4.170 0.000 0.000 0.310 199 I C 1.022 177.247 176.117 0.181 0.000 1.274 199 I CA 0.388 61.810 61.300 0.204 0.000 1.294 199 I CB 0.058 38.221 38.000 0.271 0.000 1.051 199 I HN -0.033 nan 8.210 nan 0.000 0.435 200 S N -0.242 115.557 115.700 0.164 0.000 2.601 200 S HA 0.206 4.676 4.470 0.000 0.000 0.271 200 S C 1.265 175.894 174.600 0.048 0.000 1.305 200 S CA -0.130 58.130 58.200 0.099 0.000 1.022 200 S CB 1.341 64.578 63.200 0.061 0.000 0.940 200 S HN 0.302 nan 8.310 nan 0.000 0.525 201 T N 2.011 116.570 114.554 0.009 0.000 2.896 201 T HA 0.021 4.371 4.350 0.000 0.000 0.238 201 T C 0.558 175.238 174.700 -0.033 0.000 1.045 201 T CA 0.608 62.695 62.100 -0.021 0.000 1.248 201 T CB -0.459 68.390 68.868 -0.031 0.000 0.955 201 T HN 0.622 nan 8.240 nan 0.000 0.416 202 T N 3.495 118.022 114.554 -0.045 0.000 2.871 202 T HA 0.132 4.482 4.350 0.000 0.000 0.296 202 T C 0.755 175.433 174.700 -0.036 0.000 0.998 202 T CA 0.332 62.405 62.100 -0.044 0.000 1.162 202 T CB -0.055 68.780 68.868 -0.056 0.000 0.947 202 T HN 0.495 nan 8.240 nan 0.000 0.536 203 N N 0.496 119.182 118.700 -0.023 0.000 2.909 203 N HA -0.144 4.596 4.740 0.000 0.000 0.242 203 N C 0.217 175.742 175.510 0.024 0.000 0.975 203 N CA 1.611 54.659 53.050 -0.003 0.000 0.921 203 N CB -1.106 37.379 38.487 -0.003 0.000 1.112 203 N HN 0.946 nan 8.380 nan 0.000 0.581 204 G N -2.972 105.841 108.800 0.021 0.000 3.086 204 G HA2 0.568 4.528 3.960 0.000 0.000 0.282 204 G HA3 0.568 4.528 3.960 0.000 0.000 0.282 204 G C 0.974 175.886 174.900 0.020 0.000 1.343 204 G CA -0.009 45.132 45.100 0.069 0.000 0.895 204 G HN 0.286 nan 8.290 nan 0.000 0.557 205 G N -1.097 107.751 108.800 0.080 0.000 2.501 205 G HA2 -0.058 3.902 3.960 0.000 0.000 0.220 205 G HA3 -0.058 3.902 3.960 0.000 0.000 0.220 205 G C 1.197 176.076 174.900 -0.036 0.000 1.114 205 G CA 0.878 45.944 45.100 -0.056 0.000 0.757 205 G HN 0.476 nan 8.290 nan 0.000 0.559 206 Q N -0.781 118.995 119.800 -0.039 0.000 2.198 206 Q HA 0.226 4.566 4.340 0.000 0.000 0.209 206 Q C 1.840 177.788 176.000 -0.086 0.000 0.848 206 Q CA -0.259 55.461 55.803 -0.139 0.000 0.974 206 Q CB 0.527 29.139 28.738 -0.211 0.000 1.115 206 Q HN 0.567 nan 8.270 nan 0.000 0.494 207 E N 0.738 120.899 120.200 -0.063 0.000 2.110 207 E HA -0.097 4.253 4.350 0.000 0.000 0.193 207 E C 0.040 176.596 176.600 -0.073 0.000 0.988 207 E CA 0.850 57.212 56.400 -0.063 0.000 0.804 207 E CB 0.459 30.115 29.700 -0.072 0.000 0.745 207 E HN 0.148 nan 8.360 nan 0.000 0.458 208 R N -0.934 119.498 120.500 -0.112 0.000 2.836 208 R HA 0.439 4.779 4.340 0.000 0.000 0.269 208 R C -0.908 175.174 176.300 -0.363 0.000 1.010 208 R CA -0.753 55.194 56.100 -0.254 0.000 0.930 208 R CB 1.996 32.120 30.300 -0.294 0.000 1.218 208 R HN -0.160 nan 8.270 nan 0.000 0.473 209 K N 0.791 120.786 120.400 -0.675 0.000 2.466 209 K HA 0.420 4.740 4.320 0.000 0.000 0.260 209 K C -1.020 175.169 176.600 -0.686 0.000 1.011 209 K CA -0.810 55.044 56.287 -0.722 0.000 0.871 209 K CB 1.575 33.699 32.500 -0.626 0.000 1.404 209 K HN 0.234 nan 8.250 nan 0.000 0.450 210 F N 1.040 120.877 119.950 -0.188 0.000 2.410 210 F HA 0.141 4.668 4.527 0.000 0.000 0.348 210 F C 0.650 176.490 175.800 0.067 0.000 1.106 210 F CA -1.016 56.941 58.000 -0.071 0.000 1.163 210 F CB 1.084 40.033 39.000 -0.084 0.000 1.129 210 F HN 0.010 nan 8.300 nan 0.000 0.516 211 V N 3.599 123.722 119.914 0.347 0.000 2.540 211 V HA 0.217 4.337 4.120 0.000 0.000 0.297 211 V C 0.960 176.992 176.094 -0.104 0.000 1.024 211 V CA 1.264 63.718 62.300 0.256 0.000 1.105 211 V CB 0.185 32.129 31.823 0.203 0.000 0.938 211 V HN 1.109 nan 8.190 nan 0.000 0.482 212 G N 3.261 111.656 108.800 -0.676 0.000 2.217 212 G HA2 0.119 4.079 3.960 0.000 0.000 0.246 212 G HA3 0.119 4.079 3.960 0.000 0.000 0.246 212 G C 0.839 175.194 174.900 -0.908 0.000 0.990 212 G CA -0.009 44.397 45.100 -1.157 0.000 0.627 212 G HN 2.447 nan 8.290 nan 0.000 0.522 213 G N -1.533 107.033 108.800 -0.390 0.000 2.629 213 G HA2 0.365 4.325 3.960 0.000 0.000 0.686 213 G HA3 0.365 4.325 3.960 0.000 0.000 0.686 213 G C 0.768 175.675 174.900 0.013 0.000 1.232 213 G CA 0.857 45.921 45.100 -0.060 0.000 0.803 213 G HN 1.889 nan 8.290 nan 0.000 0.638 214 S N -0.352 115.409 115.700 0.101 0.000 2.496 214 S HA 0.210 4.680 4.470 0.000 0.000 0.224 214 S C 2.439 177.036 174.600 -0.006 0.000 0.996 214 S CA 1.434 59.706 58.200 0.119 0.000 0.927 214 S CB 0.248 63.584 63.200 0.227 0.000 0.774 214 S HN 2.138 nan 8.310 nan 0.000 0.524 215 G N 1.438 110.242 108.800 0.007 0.000 2.498 215 G HA2 -0.145 3.815 3.960 0.000 0.000 0.219 215 G HA3 -0.145 3.815 3.960 0.000 0.000 0.219 215 G C 1.412 176.288 174.900 -0.040 0.000 1.119 215 G CA 0.492 45.600 45.100 0.013 0.000 0.766 215 G HN 0.633 nan 8.290 nan 0.000 0.552 216 Q N -0.214 119.526 119.800 -0.100 0.000 2.224 216 Q HA -0.027 4.313 4.340 0.000 0.000 0.203 216 Q C 2.698 178.607 176.000 -0.151 0.000 0.970 216 Q CA 0.841 56.565 55.803 -0.131 0.000 0.865 216 Q CB -0.108 28.525 28.738 -0.174 0.000 0.922 216 Q HN 0.430 nan 8.270 nan 0.000 0.445 217 V N 0.261 120.060 119.914 -0.192 0.000 2.261 217 V HA -0.277 3.843 4.120 0.000 0.000 0.246 217 V C 2.150 178.182 176.094 -0.103 0.000 1.047 217 V CA 2.088 64.274 62.300 -0.190 0.000 1.015 217 V CB -0.615 31.076 31.823 -0.220 0.000 0.642 217 V HN 0.285 nan 8.190 nan 0.000 0.446 218 S N -0.642 115.022 115.700 -0.061 0.000 2.368 218 S HA -0.213 4.257 4.470 0.000 0.000 0.225 218 S C 1.948 176.528 174.600 -0.033 0.000 1.030 218 S CA 1.605 59.787 58.200 -0.030 0.000 0.999 218 S CB -0.297 62.907 63.200 0.006 0.000 0.844 218 S HN 0.677 nan 8.310 nan 0.000 0.459 219 E N 0.811 120.992 120.200 -0.033 0.000 2.077 219 E HA -0.104 4.246 4.350 0.000 0.000 0.193 219 E C 2.332 178.904 176.600 -0.047 0.000 0.989 219 E CA 0.847 57.229 56.400 -0.031 0.000 0.800 219 E CB -0.062 29.621 29.700 -0.028 0.000 0.746 219 E HN 0.343 nan 8.360 nan 0.000 0.452 220 R N 0.125 120.586 120.500 -0.065 0.000 2.148 220 R HA -0.003 4.337 4.340 0.000 0.000 0.223 220 R C 2.268 178.529 176.300 -0.065 0.000 1.088 220 R CA 0.684 56.743 56.100 -0.068 0.000 0.985 220 R CB -0.084 30.165 30.300 -0.085 0.000 0.880 220 R HN 0.244 nan 8.270 nan 0.000 0.451 221 I N 0.559 121.089 120.570 -0.066 0.000 2.353 221 I HA -0.234 3.936 4.170 0.000 0.000 0.248 221 I C 2.623 178.694 176.117 -0.075 0.000 1.119 221 I CA 0.933 62.193 61.300 -0.067 0.000 1.417 221 I CB -0.137 37.828 38.000 -0.059 0.000 1.078 221 I HN 0.154 nan 8.210 nan 0.000 0.421 222 M N 0.906 120.469 119.600 -0.061 0.000 2.108 222 M HA -0.271 4.209 4.480 0.000 0.000 0.261 222 M C 1.673 177.935 176.300 -0.063 0.000 1.066 222 M CA 1.989 57.254 55.300 -0.059 0.000 1.107 222 M CB -0.204 32.373 32.600 -0.039 0.000 1.356 222 M HN 0.162 nan 8.290 nan 0.000 0.406 223 D N 0.507 120.874 120.400 -0.055 0.000 2.123 223 D HA -0.164 4.476 4.640 0.000 0.000 0.196 223 D C 2.011 178.275 176.300 -0.061 0.000 0.992 223 D CA 1.463 55.434 54.000 -0.049 0.000 0.833 223 D CB -0.505 40.270 40.800 -0.042 0.000 0.954 223 D HN 0.433 nan 8.370 nan 0.000 0.455 224 L N 0.030 121.207 121.223 -0.076 0.000 2.141 224 L HA -0.092 4.248 4.340 0.000 0.000 0.209 224 L C 2.366 179.127 176.870 -0.181 0.000 1.094 224 L CA 0.604 55.388 54.840 -0.094 0.000 0.763 224 L CB -0.216 41.793 42.059 -0.083 0.000 0.908 224 L HN 0.020 nan 8.230 nan 0.000 0.437 225 L N -1.194 119.905 121.223 -0.206 0.000 2.446 225 L HA 0.171 4.511 4.340 0.000 0.000 0.219 225 L C 1.657 178.432 176.870 -0.159 0.000 1.116 225 L CA 0.400 55.068 54.840 -0.286 0.000 0.844 225 L CB -0.583 41.336 42.059 -0.233 0.000 0.970 225 L HN 0.415 nan 8.230 nan 0.000 0.457 226 G N 1.840 110.582 108.800 -0.096 0.000 2.583 226 G HA2 -0.447 3.513 3.960 0.000 0.000 0.292 226 G HA3 -0.447 3.513 3.960 0.000 0.000 0.292 226 G C 0.561 175.437 174.900 -0.040 0.000 1.203 226 G CA 0.476 45.545 45.100 -0.052 0.000 0.987 226 G HN 0.499 nan 8.290 nan 0.000 0.554 227 D N 1.023 121.411 120.400 -0.019 0.000 2.363 227 D HA 0.030 4.670 4.640 0.000 0.000 0.226 227 D C 2.058 178.357 176.300 -0.002 0.000 1.020 227 D CA 0.706 54.704 54.000 -0.005 0.000 0.892 227 D CB -0.313 40.493 40.800 0.010 0.000 0.900 227 D HN 0.623 nan 8.370 nan 0.000 0.531 228 R N -0.175 120.313 120.500 -0.021 0.000 2.189 228 R HA 0.073 4.413 4.340 0.000 0.000 0.218 228 R C 0.383 176.657 176.300 -0.044 0.000 1.074 228 R CA 0.311 56.397 56.100 -0.023 0.000 0.991 228 R CB 0.252 30.527 30.300 -0.041 0.000 0.883 228 R HN 0.078 nan 8.270 nan 0.000 0.457 229 V N 3.062 122.946 119.914 -0.049 0.000 2.406 229 V HA 0.098 4.218 4.120 0.000 0.000 0.272 229 V C -0.048 176.019 176.094 -0.044 0.000 1.043 229 V CA -0.297 61.969 62.300 -0.056 0.000 0.915 229 V CB 1.296 33.087 31.823 -0.052 0.000 0.988 229 V HN 0.055 nan 8.190 nan 0.000 0.466 230 K N 6.601 126.962 120.400 -0.065 0.000 2.334 230 K HA 0.511 4.831 4.320 0.000 0.000 0.265 230 K C -0.665 175.901 176.600 -0.055 0.000 1.039 230 K CA -0.337 55.922 56.287 -0.047 0.000 0.920 230 K CB 1.768 34.230 32.500 -0.062 0.000 1.160 230 K HN 0.503 nan 8.250 nan 0.000 0.451 231 L N 1.861 123.063 121.223 -0.034 0.000 2.395 231 L HA 0.119 4.459 4.340 0.000 0.000 0.269 231 L C 0.710 177.557 176.870 -0.038 0.000 1.133 231 L CA -0.029 54.788 54.840 -0.039 0.000 0.812 231 L CB 0.136 42.181 42.059 -0.022 0.000 1.125 231 L HN 0.700 nan 8.230 nan 0.000 0.452 232 E N 0.705 120.869 120.200 -0.060 0.000 2.389 232 E HA -0.226 4.124 4.350 0.000 0.000 0.243 232 E C -0.500 176.065 176.600 -0.058 0.000 1.154 232 E CA 0.248 56.612 56.400 -0.060 0.000 0.723 232 E CB -0.860 28.826 29.700 -0.024 0.000 1.261 232 E HN 0.389 nan 8.360 nan 0.000 0.390 233 R N 0.219 120.668 120.500 -0.086 0.000 2.724 233 R HA 0.253 4.593 4.340 0.000 0.000 0.284 233 R C -2.710 173.518 176.300 -0.120 0.000 1.481 233 R CA -2.023 54.035 56.100 -0.070 0.000 1.652 233 R CB 0.574 30.840 30.300 -0.058 0.000 1.175 233 R HN -0.017 nan 8.270 nan 0.000 0.613 234 P HA 0.000 nan 4.420 nan 0.000 0.271 234 P C -0.315 176.949 177.300 -0.060 0.000 1.233 234 P CA -0.131 62.872 63.100 -0.163 0.000 0.764 234 P CB 0.876 32.508 31.700 -0.114 0.000 0.825 235 V N 5.908 125.793 119.914 -0.047 0.000 2.521 235 V HA 0.013 4.133 4.120 0.000 0.000 0.286 235 V C 1.753 177.860 176.094 0.022 0.000 1.034 235 V CA 0.533 62.826 62.300 -0.012 0.000 1.045 235 V CB 0.067 31.875 31.823 -0.026 0.000 0.974 235 V HN 0.539 nan 8.190 nan 0.000 0.480 236 I N 2.109 122.703 120.570 0.039 0.000 4.187 236 I HA 0.433 4.603 4.170 0.000 0.000 0.326 236 I C 0.043 176.244 176.117 0.140 0.000 1.302 236 I CA 0.134 61.483 61.300 0.082 0.000 1.196 236 I CB 0.551 38.568 38.000 0.030 0.000 1.095 236 I HN 0.508 nan 8.210 nan 0.000 0.411 237 Y N 1.826 122.064 120.300 -0.103 0.000 2.390 237 Y HA 0.658 5.208 4.550 -0.000 0.000 0.324 237 Y C -1.875 173.932 175.900 -0.154 0.000 1.151 237 Y CA -1.400 56.621 58.100 -0.132 0.000 1.053 237 Y CB 1.561 39.975 38.460 -0.077 0.000 1.277 237 Y HN -0.015 nan 8.280 nan 0.000 0.432 238 I N 5.800 125.951 120.570 -0.698 0.000 2.447 238 I HA 0.312 4.482 4.170 0.000 0.000 0.287 238 I C -1.333 174.402 176.117 -0.637 0.000 1.023 238 I CA -0.693 60.281 61.300 -0.544 0.000 1.083 238 I CB 1.813 39.626 38.000 -0.313 0.000 1.245 238 I HN 0.516 nan 8.210 nan 0.000 0.434 239 D N 5.939 126.039 120.400 -0.499 0.000 2.408 239 D HA 0.285 4.925 4.640 0.000 0.000 0.243 239 D C -0.279 175.956 176.300 -0.108 0.000 1.075 239 D CA -0.215 53.592 54.000 -0.322 0.000 0.832 239 D CB 1.636 42.283 40.800 -0.254 0.000 1.162 239 D HN 0.510 nan 8.370 nan 0.000 0.515 240 Q N 1.773 121.546 119.800 -0.046 0.000 2.175 240 Q HA 0.085 4.425 4.340 0.000 0.000 0.225 240 Q C 1.190 177.188 176.000 -0.003 0.000 0.837 240 Q CA -0.032 55.762 55.803 -0.014 0.000 1.032 240 Q CB 0.778 29.521 28.738 0.008 0.000 1.137 240 Q HN 0.546 nan 8.270 nan 0.000 0.483 241 T N -2.301 112.256 114.554 0.004 0.000 3.023 241 T HA 0.057 4.407 4.350 0.000 0.000 0.266 241 T C 1.005 175.711 174.700 0.010 0.000 1.093 241 T CA 0.361 62.471 62.100 0.016 0.000 1.129 241 T CB 0.232 69.119 68.868 0.032 0.000 0.899 241 T HN 0.096 nan 8.240 nan 0.000 0.491 242 R N 0.415 120.918 120.500 0.004 0.000 2.719 242 R HA 0.506 4.846 4.340 0.000 0.000 0.233 242 R C 1.546 177.837 176.300 -0.014 0.000 1.257 242 R CA -0.652 55.448 56.100 -0.000 0.000 1.109 242 R CB 0.700 31.003 30.300 0.006 0.000 1.447 242 R HN 0.161 nan 8.270 nan 0.000 0.537 243 E N 0.692 120.882 120.200 -0.016 0.000 2.038 243 E HA -0.167 4.183 4.350 0.000 0.000 0.195 243 E C -0.219 176.350 176.600 -0.052 0.000 1.000 243 E CA 1.258 57.641 56.400 -0.030 0.000 0.803 243 E CB 0.158 29.845 29.700 -0.023 0.000 0.750 243 E HN 0.293 nan 8.360 nan 0.000 0.448 244 N N 0.104 118.778 118.700 -0.043 0.000 2.456 244 N HA 0.176 4.916 4.740 0.000 0.000 0.296 244 N C -1.082 174.403 175.510 -0.043 0.000 1.102 244 N CA -0.405 52.611 53.050 -0.056 0.000 0.924 244 N CB 2.006 40.472 38.487 -0.034 0.000 1.186 244 N HN -0.120 nan 8.380 nan 0.000 0.492 245 V N 2.220 122.101 119.914 -0.054 0.000 2.572 245 V HA 0.166 4.286 4.120 0.000 0.000 0.291 245 V C 0.502 176.592 176.094 -0.008 0.000 1.039 245 V CA -0.268 62.011 62.300 -0.034 0.000 1.055 245 V CB 0.115 31.919 31.823 -0.031 0.000 0.969 245 V HN 0.359 nan 8.190 nan 0.000 0.482 246 L N 5.661 126.876 121.223 -0.014 0.000 2.295 246 L HA 0.606 4.946 4.340 0.000 0.000 0.285 246 L C -0.575 176.296 176.870 0.001 0.000 1.035 246 L CA -0.536 54.315 54.840 0.019 0.000 0.806 246 L CB 1.795 43.883 42.059 0.047 0.000 1.214 246 L HN 0.367 nan 8.230 nan 0.000 0.426 247 V N 2.804 122.762 119.914 0.073 0.000 2.443 247 V HA 0.328 4.448 4.120 0.000 0.000 0.293 247 V C -0.279 175.917 176.094 0.171 0.000 1.021 247 V CA -0.627 61.717 62.300 0.075 0.000 0.848 247 V CB 1.768 33.629 31.823 0.064 0.000 0.998 247 V HN 0.730 nan 8.190 nan 0.000 0.424 248 E N 2.861 123.165 120.200 0.172 0.000 2.204 248 E HA 0.649 4.999 4.350 0.000 0.000 0.276 248 E C -0.165 176.506 176.600 0.118 0.000 0.974 248 E CA -0.434 56.074 56.400 0.180 0.000 0.815 248 E CB 1.770 31.594 29.700 0.207 0.000 1.119 248 E HN 0.836 nan 8.360 nan 0.000 0.393 249 T N 0.894 115.508 114.554 0.101 0.000 2.948 249 T HA 0.196 4.546 4.350 0.000 0.000 0.285 249 T C 0.926 175.586 174.700 -0.066 0.000 1.019 249 T CA -0.829 61.291 62.100 0.035 0.000 1.013 249 T CB 1.067 69.979 68.868 0.073 0.000 1.117 249 T HN 0.445 nan 8.240 nan 0.000 0.533 250 L N 1.447 122.616 121.223 -0.091 0.000 2.131 250 L HA 0.058 4.398 4.340 0.000 0.000 0.210 250 L C 1.775 178.454 176.870 -0.318 0.000 1.092 250 L CA 1.954 56.687 54.840 -0.179 0.000 0.759 250 L CB -1.076 40.938 42.059 -0.075 0.000 0.903 250 L HN 0.931 nan 8.230 nan 0.000 0.435 251 N N -2.605 115.998 118.700 -0.161 0.000 2.362 251 N HA -0.084 4.656 4.740 0.000 0.000 0.211 251 N C 0.077 175.595 175.510 0.013 0.000 1.170 251 N CA 0.162 53.171 53.050 -0.068 0.000 0.828 251 N CB -0.375 38.127 38.487 0.025 0.000 1.034 251 N HN 0.376 nan 8.380 nan 0.000 0.475 252 H N -2.411 116.668 119.070 0.015 0.000 3.211 252 H HA -0.161 4.395 4.556 0.000 0.000 0.240 252 H C -0.836 174.489 175.328 -0.005 0.000 1.148 252 H CA 1.005 57.052 56.048 -0.001 0.000 1.160 252 H CB -1.890 27.862 29.762 -0.017 0.000 1.232 252 H HN 0.669 nan 8.280 nan 0.000 0.321 253 E N 0.786 121.031 120.200 0.075 0.000 2.343 253 E HA 0.423 4.773 4.350 0.000 0.000 0.269 253 E C 0.659 177.249 176.600 -0.018 0.000 1.047 253 E CA -0.310 56.091 56.400 0.001 0.000 0.874 253 E CB 0.941 30.662 29.700 0.035 0.000 1.033 253 E HN 0.062 nan 8.360 nan 0.000 0.409 254 M N 2.534 122.020 119.600 -0.191 0.000 2.321 254 M HA 0.355 4.835 4.480 0.000 0.000 0.315 254 M C -1.380 174.710 176.300 -0.349 0.000 1.052 254 M CA -0.585 54.648 55.300 -0.113 0.000 0.936 254 M CB 1.143 33.713 32.600 -0.049 0.000 1.639 254 M HN 0.508 nan 8.290 nan 0.000 0.433 255 Y N 0.340 120.653 120.300 0.021 0.000 2.485 255 Y HA 0.518 5.068 4.550 0.000 0.000 0.345 255 Y C -0.095 175.811 175.900 0.009 0.000 0.998 255 Y CA -0.759 57.349 58.100 0.013 0.000 1.059 255 Y CB 1.789 40.254 38.460 0.009 0.000 1.234 255 Y HN 0.563 nan 8.280 nan 0.000 0.461 256 E N 1.509 121.795 120.200 0.143 0.000 2.246 256 E HA 0.825 5.175 4.350 0.000 0.000 0.266 256 E C -1.619 175.021 176.600 0.068 0.000 0.880 256 E CA -0.667 55.776 56.400 0.073 0.000 0.762 256 E CB 1.414 31.133 29.700 0.031 0.000 1.180 256 E HN 0.782 nan 8.360 nan 0.000 0.416 257 A N 3.559 126.401 122.820 0.036 0.000 2.569 257 A HA 0.413 4.733 4.320 0.000 0.000 0.290 257 A C -0.083 177.474 177.584 -0.044 0.000 1.136 257 A CA -0.624 51.428 52.037 0.025 0.000 0.710 257 A CB 1.506 20.538 19.000 0.052 0.000 1.303 257 A HN 0.670 nan 8.150 nan 0.000 0.413 258 K N -0.945 119.412 120.400 -0.071 0.000 2.137 258 K HA 0.127 4.447 4.320 0.000 0.000 0.202 258 K C -0.734 175.519 176.600 -0.577 0.000 1.052 258 K CA 1.396 57.500 56.287 -0.305 0.000 0.961 258 K CB -0.040 32.314 32.500 -0.243 0.000 0.741 258 K HN 0.592 nan 8.250 nan 0.000 0.452 259 Y N -0.953 119.365 120.300 0.029 0.000 2.588 259 Y HA 0.385 4.935 4.550 0.000 0.000 0.343 259 Y C -0.676 175.244 175.900 0.035 0.000 1.065 259 Y CA -1.319 56.811 58.100 0.050 0.000 1.038 259 Y CB 1.846 40.320 38.460 0.024 0.000 1.297 259 Y HN -0.413 nan 8.280 nan 0.000 0.467 260 V N 3.562 123.607 119.914 0.219 0.000 2.540 260 V HA 0.465 4.585 4.120 0.000 0.000 0.302 260 V C -0.491 175.652 176.094 0.081 0.000 1.035 260 V CA -0.842 61.520 62.300 0.103 0.000 0.873 260 V CB 1.859 33.712 31.823 0.050 0.000 0.992 260 V HN 0.554 nan 8.190 nan 0.000 0.428 261 I N 3.078 123.669 120.570 0.035 0.000 2.321 261 I HA 0.318 4.488 4.170 0.000 0.000 0.291 261 I C 0.432 176.545 176.117 -0.006 0.000 0.998 261 I CA -0.065 61.239 61.300 0.005 0.000 1.227 261 I CB 1.783 39.792 38.000 0.014 0.000 1.368 261 I HN 0.598 nan 8.210 nan 0.000 0.466 262 S N 5.530 121.202 115.700 -0.047 0.000 2.400 262 S HA 0.498 4.968 4.470 0.000 0.000 0.295 262 S C 0.416 175.105 174.600 0.149 0.000 1.113 262 S CA -0.532 57.711 58.200 0.071 0.000 1.064 262 S CB 0.415 63.700 63.200 0.140 0.000 0.990 262 S HN 0.709 nan 8.310 nan 0.000 0.502 263 A N 6.153 129.044 122.820 0.119 0.000 3.106 263 A HA 0.513 4.833 4.320 0.000 0.000 0.306 263 A C 0.215 177.878 177.584 0.131 0.000 1.192 263 A CA -0.705 51.407 52.037 0.124 0.000 0.994 263 A CB -0.669 18.380 19.000 0.081 0.000 1.107 263 A HN 0.920 nan 8.150 nan 0.000 0.585 264 I N -4.055 116.613 120.570 0.163 0.000 2.892 264 I HA 0.674 4.844 4.170 0.000 0.000 0.306 264 I C -2.997 173.216 176.117 0.159 0.000 1.078 264 I CA -3.152 58.240 61.300 0.153 0.000 1.032 264 I CB 1.870 39.962 38.000 0.153 0.000 1.229 264 I HN -0.143 nan 8.210 nan 0.000 0.435 265 P HA 0.136 nan 4.420 nan 0.000 0.264 265 P C -2.173 175.179 177.300 0.086 0.000 1.183 265 P CA -0.672 62.496 63.100 0.113 0.000 0.763 265 P CB -0.028 31.726 31.700 0.090 0.000 0.807 266 P HA -0.234 nan 4.420 nan 0.000 0.216 266 P C 1.632 178.913 177.300 -0.031 0.000 1.154 266 P CA 1.894 64.994 63.100 0.000 0.000 0.865 266 P CB -0.260 31.406 31.700 -0.056 0.000 0.789 267 T N -1.390 113.124 114.554 -0.067 0.000 2.881 267 T HA -0.067 4.283 4.350 0.000 0.000 0.270 267 T C 1.482 176.174 174.700 -0.013 0.000 1.068 267 T CA 0.750 62.801 62.100 -0.082 0.000 1.131 267 T CB -0.791 67.997 68.868 -0.133 0.000 0.871 267 T HN -0.022 nan 8.240 nan 0.000 0.479 268 L N 0.253 121.498 121.223 0.038 0.000 2.465 268 L HA 0.148 4.488 4.340 0.000 0.000 0.224 268 L C 2.824 179.768 176.870 0.124 0.000 1.145 268 L CA 0.704 55.594 54.840 0.084 0.000 0.834 268 L CB -0.728 41.407 42.059 0.127 0.000 0.944 268 L HN 0.321 nan 8.230 nan 0.000 0.451 269 G N -0.120 108.763 108.800 0.139 0.000 2.479 269 G HA2 -0.249 3.711 3.960 0.000 0.000 0.220 269 G HA3 -0.249 3.711 3.960 0.000 0.000 0.220 269 G C 1.610 176.647 174.900 0.228 0.000 1.115 269 G CA 0.233 45.474 45.100 0.234 0.000 0.757 269 G HN 0.131 nan 8.290 nan 0.000 0.560 270 M N 0.436 120.098 119.600 0.104 0.000 2.279 270 M HA -0.002 4.478 4.480 0.000 0.000 0.264 270 M C 2.175 178.495 176.300 0.034 0.000 1.062 270 M CA 1.017 56.347 55.300 0.050 0.000 1.099 270 M CB -0.512 32.082 32.600 -0.010 0.000 1.394 270 M HN 0.212 nan 8.290 nan 0.000 0.426 271 K N -0.035 120.407 120.400 0.071 0.000 2.504 271 K HA 0.103 4.423 4.320 0.000 0.000 0.195 271 K C 0.384 177.040 176.600 0.093 0.000 1.036 271 K CA 0.494 56.831 56.287 0.084 0.000 0.984 271 K CB 0.083 32.665 32.500 0.137 0.000 0.788 271 K HN 0.331 nan 8.250 nan 0.000 0.488 272 I N 1.051 121.646 120.570 0.042 0.000 2.377 272 I HA 0.124 4.294 4.170 0.000 0.000 0.293 272 I C 0.198 176.205 176.117 -0.183 0.000 0.987 272 I CA -0.728 60.520 61.300 -0.087 0.000 1.185 272 I CB 1.378 39.176 38.000 -0.335 0.000 1.341 272 I HN 0.012 nan 8.210 nan 0.000 0.455 273 H N 5.836 124.816 119.070 -0.150 0.000 2.527 273 H HA 0.351 4.907 4.556 0.000 0.000 0.321 273 H C -1.149 174.063 175.328 -0.194 0.000 1.087 273 H CA -0.204 55.843 56.048 -0.002 0.000 1.337 273 H CB 1.157 31.012 29.762 0.156 0.000 1.440 273 H HN 0.327 nan 8.280 nan 0.000 0.490 274 F N 1.898 121.931 119.950 0.137 0.000 2.458 274 F HA 0.158 4.685 4.527 -0.000 0.000 0.336 274 F C 0.532 176.355 175.800 0.038 0.000 1.114 274 F CA -0.760 57.251 58.000 0.019 0.000 0.987 274 F CB 1.389 40.395 39.000 0.011 0.000 1.130 274 F HN 0.475 nan 8.300 nan 0.000 0.458 275 N N 4.692 123.451 118.700 0.097 0.000 2.448 275 N HA 0.440 5.180 4.740 0.000 0.000 0.279 275 N C -3.017 172.529 175.510 0.060 0.000 1.025 275 N CA -2.363 50.747 53.050 0.101 0.000 0.898 275 N CB 2.137 40.708 38.487 0.140 0.000 1.303 275 N HN 0.085 nan 8.380 nan 0.000 0.495 276 P HA 0.320 nan 4.420 nan 0.000 0.274 276 P C -2.650 174.718 177.300 0.112 0.000 1.256 276 P CA -1.024 62.128 63.100 0.086 0.000 0.795 276 P CB -0.399 31.333 31.700 0.054 0.000 1.038 277 P HA 0.054 nan 4.420 nan 0.000 0.267 277 P C 0.117 177.426 177.300 0.014 0.000 1.201 277 P CA 0.331 63.483 63.100 0.087 0.000 0.775 277 P CB 0.139 31.874 31.700 0.058 0.000 0.854 278 L N 3.792 124.976 121.223 -0.064 0.000 2.499 278 L HA 0.092 4.432 4.340 0.000 0.000 0.281 278 L C -1.574 175.241 176.870 -0.091 0.000 1.234 278 L CA -1.456 53.278 54.840 -0.177 0.000 0.839 278 L CB -0.710 41.164 42.059 -0.309 0.000 1.104 278 L HN 0.331 nan 8.230 nan 0.000 0.500 279 P HA -0.074 nan 4.420 nan 0.000 0.268 279 P C 0.633 177.902 177.300 -0.052 0.000 1.208 279 P CA -0.195 62.872 63.100 -0.054 0.000 0.777 279 P CB 0.459 32.128 31.700 -0.052 0.000 0.875 280 M N 1.640 121.222 119.600 -0.031 0.000 2.089 280 M HA -0.228 4.252 4.480 0.000 0.000 0.257 280 M C 1.287 177.593 176.300 0.010 0.000 1.071 280 M CA 2.276 57.568 55.300 -0.013 0.000 1.096 280 M CB -0.342 32.253 32.600 -0.009 0.000 1.330 280 M HN 0.180 nan 8.290 nan 0.000 0.403 281 M N -0.474 119.129 119.600 0.005 0.000 2.086 281 M HA -0.168 4.312 4.480 0.000 0.000 0.261 281 M C 2.272 178.618 176.300 0.076 0.000 1.067 281 M CA 1.793 57.136 55.300 0.072 0.000 1.116 281 M CB -1.490 31.096 32.600 -0.023 0.000 1.348 281 M HN 0.409 nan 8.290 nan 0.000 0.407 282 R N 0.452 120.925 120.500 -0.045 0.000 2.066 282 R HA -0.177 4.163 4.340 0.000 0.000 0.232 282 R C 2.035 178.251 176.300 -0.140 0.000 1.131 282 R CA 1.888 57.912 56.100 -0.127 0.000 0.955 282 R CB -0.279 29.900 30.300 -0.202 0.000 0.851 282 R HN 0.340 nan 8.270 nan 0.000 0.432 283 N N 0.346 118.978 118.700 -0.113 0.000 2.060 283 N HA -0.244 4.496 4.740 0.000 0.000 0.195 283 N C 1.608 177.050 175.510 -0.113 0.000 1.028 283 N CA 2.025 55.015 53.050 -0.101 0.000 0.861 283 N CB -0.003 38.446 38.487 -0.062 0.000 1.029 283 N HN 0.371 nan 8.380 nan 0.000 0.428 284 Q N -1.207 118.532 119.800 -0.102 0.000 2.212 284 Q HA -0.040 4.300 4.340 0.000 0.000 0.199 284 Q C 1.954 177.689 176.000 -0.442 0.000 0.950 284 Q CA 0.577 56.262 55.803 -0.196 0.000 0.863 284 Q CB -0.082 28.613 28.738 -0.072 0.000 0.944 284 Q HN 0.511 nan 8.270 nan 0.000 0.465 285 M N 1.582 120.923 119.600 -0.432 0.000 2.108 285 M HA -0.159 4.321 4.480 0.000 0.000 0.261 285 M C 2.021 178.083 176.300 -0.397 0.000 1.066 285 M CA 1.630 56.620 55.300 -0.516 0.000 1.107 285 M CB -0.455 32.017 32.600 -0.214 0.000 1.356 285 M HN 0.294 nan 8.290 nan 0.000 0.406 286 I N -1.473 118.929 120.570 -0.280 0.000 3.083 286 I HA -0.093 4.077 4.170 0.000 0.000 0.273 286 I C 1.477 177.461 176.117 -0.222 0.000 1.297 286 I CA 1.444 62.609 61.300 -0.226 0.000 1.452 286 I CB -1.027 36.886 38.000 -0.146 0.000 1.078 286 I HN 0.317 nan 8.210 nan 0.000 0.484 287 T N -2.577 111.825 114.554 -0.253 0.000 3.069 287 T HA 0.277 4.627 4.350 0.000 0.000 0.252 287 T C 1.537 176.072 174.700 -0.275 0.000 1.053 287 T CA -0.187 61.779 62.100 -0.223 0.000 0.964 287 T CB -0.013 68.745 68.868 -0.183 0.000 1.005 287 T HN 0.390 nan 8.240 nan 0.000 0.532 288 R N 0.914 121.192 120.500 -0.370 0.000 2.437 288 R HA 0.313 4.653 4.340 0.000 0.000 0.257 288 R C -0.043 175.943 176.300 -0.524 0.000 0.927 288 R CA 0.024 55.875 56.100 -0.416 0.000 1.078 288 R CB 1.256 31.253 30.300 -0.505 0.000 1.161 288 R HN 0.432 nan 8.270 nan 0.000 0.529 289 V N -0.414 119.174 119.914 -0.543 0.000 2.313 289 V HA 0.476 4.596 4.120 0.000 0.000 0.262 289 V C -2.621 173.127 176.094 -0.577 0.000 1.011 289 V CA -2.350 59.521 62.300 -0.714 0.000 0.858 289 V CB 0.593 31.971 31.823 -0.742 0.000 1.104 289 V HN -0.111 nan 8.190 nan 0.000 0.456 290 P HA 0.508 nan 4.420 nan 0.000 0.276 290 P C -0.681 176.294 177.300 -0.541 0.000 1.252 290 P CA -0.335 62.446 63.100 -0.533 0.000 0.802 290 P CB 1.932 33.312 31.700 -0.534 0.000 1.035 291 L N 0.420 121.507 121.223 -0.225 0.000 2.358 291 L HA 0.595 4.935 4.340 0.000 0.000 0.268 291 L C 1.513 178.447 176.870 0.106 0.000 1.032 291 L CA -0.234 54.574 54.840 -0.053 0.000 0.805 291 L CB 0.365 42.426 42.059 0.003 0.000 1.253 291 L HN 0.477 nan 8.230 nan 0.000 0.452 292 G N -0.225 108.663 108.800 0.146 0.000 2.611 292 G HA2 0.441 4.401 3.960 0.000 0.000 0.273 292 G HA3 0.441 4.401 3.960 0.000 0.000 0.273 292 G C -0.810 174.093 174.900 0.004 0.000 1.305 292 G CA -0.368 44.772 45.100 0.067 0.000 1.010 292 G HN 0.518 nan 8.290 nan 0.000 0.509 293 S N -1.552 114.118 115.700 -0.049 0.000 2.532 293 S HA 0.625 5.095 4.470 0.000 0.000 0.299 293 S C -1.030 173.552 174.600 -0.031 0.000 1.105 293 S CA -0.573 57.625 58.200 -0.003 0.000 1.018 293 S CB 1.815 65.026 63.200 0.018 0.000 1.021 293 S HN 0.942 nan 8.310 nan 0.000 0.483 294 V N 4.152 124.102 119.914 0.061 0.000 3.023 294 V HA 0.539 4.659 4.120 0.000 0.000 0.294 294 V C -2.021 174.228 176.094 0.259 0.000 1.324 294 V CA -0.718 61.650 62.300 0.113 0.000 0.979 294 V CB 1.701 33.527 31.823 0.006 0.000 1.093 294 V HN 0.905 nan 8.190 nan 0.000 0.434 295 I N 5.163 125.893 120.570 0.266 0.000 2.378 295 I HA 0.525 4.695 4.170 0.000 0.000 0.291 295 I C -0.191 176.155 176.117 0.382 0.000 0.992 295 I CA -0.591 60.881 61.300 0.288 0.000 1.154 295 I CB 1.737 39.849 38.000 0.187 0.000 1.315 295 I HN 0.531 nan 8.210 nan 0.000 0.448 296 K N 5.839 126.496 120.400 0.429 0.000 2.234 296 K HA 0.571 4.891 4.320 0.000 0.000 0.277 296 K C -1.471 175.245 176.600 0.192 0.000 1.038 296 K CA -0.319 56.201 56.287 0.388 0.000 0.888 296 K CB 0.858 33.657 32.500 0.498 0.000 1.091 296 K HN 0.693 nan 8.250 nan 0.000 0.467 297 C N 5.453 124.828 119.300 0.124 0.000 2.441 297 C HA 0.567 5.027 4.460 0.000 0.000 0.318 297 C C -0.764 174.270 174.990 0.072 0.000 1.222 297 C CA -1.100 57.983 59.018 0.108 0.000 1.474 297 C CB -0.051 27.866 27.740 0.296 0.000 2.125 297 C HN 0.737 nan 8.230 nan 0.000 0.479 298 I N 3.052 123.622 120.570 0.001 0.000 2.410 298 I HA 0.438 4.608 4.170 0.000 0.000 0.286 298 I C -0.301 175.844 176.117 0.048 0.000 1.009 298 I CA -0.149 61.116 61.300 -0.058 0.000 1.111 298 I CB 1.460 39.369 38.000 -0.152 0.000 1.262 298 I HN 0.356 nan 8.210 nan 0.000 0.443 299 V N 6.735 126.678 119.914 0.048 0.000 2.398 299 V HA 0.370 4.490 4.120 0.000 0.000 0.286 299 V C -0.705 175.273 176.094 -0.194 0.000 1.026 299 V CA -0.716 61.642 62.300 0.097 0.000 0.868 299 V CB 0.870 32.784 31.823 0.152 0.000 0.982 299 V HN 0.400 nan 8.190 nan 0.000 0.443 300 Y N 4.268 124.537 120.300 -0.051 0.000 2.323 300 Y HA 0.636 5.186 4.550 0.000 0.000 0.331 300 Y C -0.207 175.586 175.900 -0.178 0.000 1.092 300 Y CA -0.343 57.769 58.100 0.021 0.000 1.150 300 Y CB 1.186 39.749 38.460 0.171 0.000 1.200 300 Y HN 0.534 nan 8.280 nan 0.000 0.472 301 Y N 0.296 120.843 120.300 0.412 0.000 2.598 301 Y HA 0.299 4.849 4.550 0.000 0.000 0.340 301 Y C 1.252 177.295 175.900 0.239 0.000 1.038 301 Y CA -1.386 56.927 58.100 0.356 0.000 1.100 301 Y CB 1.693 40.455 38.460 0.503 0.000 1.281 301 Y HN 0.503 nan 8.280 nan 0.000 0.488 302 K N 0.350 120.965 120.400 0.359 0.000 2.097 302 K HA -0.082 4.238 4.320 0.000 0.000 0.206 302 K C -0.433 176.235 176.600 0.113 0.000 1.049 302 K CA 1.714 58.106 56.287 0.175 0.000 0.933 302 K CB 0.199 32.777 32.500 0.129 0.000 0.717 302 K HN 0.740 nan 8.250 nan 0.000 0.442 303 E N -1.103 119.178 120.200 0.135 0.000 2.408 303 E HA 0.225 4.575 4.350 0.000 0.000 0.275 303 E C -2.735 173.717 176.600 -0.247 0.000 0.935 303 E CA -2.362 54.019 56.400 -0.031 0.000 0.775 303 E CB 2.405 32.083 29.700 -0.037 0.000 1.277 303 E HN -0.073 nan 8.360 nan 0.000 0.455 304 P HA 0.086 nan 4.420 nan 0.000 0.238 304 P C 0.137 176.560 177.300 -1.461 0.000 1.794 304 P CA -0.110 62.038 63.100 -1.586 0.000 1.088 304 P CB -0.805 30.233 31.700 -1.102 0.000 1.923 305 F N 0.434 119.834 119.950 -0.917 0.000 2.333 305 F HA -0.072 4.455 4.527 0.000 0.000 0.300 305 F C 1.727 177.364 175.800 -0.271 0.000 1.083 305 F CA -0.155 57.592 58.000 -0.421 0.000 1.395 305 F CB -1.591 37.282 39.000 -0.212 0.000 1.056 305 F HN 0.144 nan 8.300 nan 0.000 0.529 306 W N 1.542 122.479 121.300 -0.606 0.000 2.363 306 W HA 0.002 4.662 4.660 0.000 0.000 0.296 306 W C 2.047 178.496 176.519 -0.117 0.000 1.212 306 W CA 1.001 58.189 57.345 -0.262 0.000 1.260 306 W CB -1.161 28.081 29.460 -0.364 0.000 1.131 306 W HN -0.145 nan 8.180 nan 0.000 0.530 307 R N 1.125 121.419 120.500 -0.344 0.000 2.105 307 R HA -0.112 4.228 4.340 0.000 0.000 0.239 307 R C 2.014 178.221 176.300 -0.155 0.000 1.135 307 R CA 1.872 57.858 56.100 -0.189 0.000 0.967 307 R CB -0.523 29.611 30.300 -0.278 0.000 0.861 307 R HN 0.239 nan 8.270 nan 0.000 0.442 308 K N 0.782 121.084 120.400 -0.165 0.000 2.147 308 K HA -0.102 4.218 4.320 0.000 0.000 0.205 308 K C 1.638 178.168 176.600 -0.118 0.000 1.049 308 K CA 1.150 57.370 56.287 -0.112 0.000 0.936 308 K CB 0.088 32.544 32.500 -0.074 0.000 0.722 308 K HN 0.057 nan 8.250 nan 0.000 0.446 309 K N 0.451 120.762 120.400 -0.148 0.000 2.444 309 K HA -0.056 4.264 4.320 0.000 0.000 0.193 309 K C -0.386 175.879 176.600 -0.559 0.000 1.024 309 K CA 0.324 56.429 56.287 -0.304 0.000 1.077 309 K CB 0.295 32.628 32.500 -0.279 0.000 0.833 309 K HN 0.054 nan 8.250 nan 0.000 0.517 310 D N -0.293 119.902 120.400 -0.341 0.000 2.873 310 D HA -0.195 4.445 4.640 0.000 0.000 0.228 310 D C -1.432 174.727 176.300 -0.234 0.000 1.122 310 D CA 0.807 54.655 54.000 -0.254 0.000 0.758 310 D CB -1.511 39.167 40.800 -0.203 0.000 1.094 310 D HN 0.298 nan 8.370 nan 0.000 0.434 311 Y N -0.711 119.617 120.300 0.046 0.000 2.352 311 Y HA 0.309 4.859 4.550 0.000 0.000 0.339 311 Y C 2.161 178.120 175.900 0.097 0.000 0.992 311 Y CA -0.896 57.228 58.100 0.040 0.000 1.100 311 Y CB 1.203 39.691 38.460 0.047 0.000 1.192 311 Y HN 0.210 nan 8.280 nan 0.000 0.458 312 C N -0.751 118.651 119.300 0.170 0.000 2.446 312 C HA 0.321 4.782 4.460 0.000 0.000 0.279 312 C C 1.813 176.857 174.990 0.090 0.000 1.366 312 C CA 0.726 59.820 59.018 0.127 0.000 1.763 312 C CB -1.060 26.686 27.740 0.010 0.000 1.929 312 C HN 1.239 nan 8.230 nan 0.000 0.509 313 G N -0.652 108.061 108.800 -0.145 0.000 2.229 313 G HA2 -0.119 3.841 3.960 0.000 0.000 0.189 313 G HA3 -0.119 3.841 3.960 0.000 0.000 0.189 313 G C 0.027 174.624 174.900 -0.505 0.000 1.000 313 G CA 0.146 44.883 45.100 -0.605 0.000 0.663 313 G HN 0.568 nan 8.290 nan 0.000 0.493 314 T N 2.430 116.777 114.554 -0.344 0.000 2.752 314 T HA 0.601 4.951 4.350 0.000 0.000 0.295 314 T C 0.309 174.812 174.700 -0.329 0.000 0.923 314 T CA 0.629 62.503 62.100 -0.377 0.000 1.112 314 T CB 0.719 69.424 68.868 -0.271 0.000 0.884 314 T HN 0.293 nan 8.240 nan 0.000 0.525 315 M N 4.120 123.496 119.600 -0.374 0.000 2.259 315 M HA 0.469 4.949 4.480 0.000 0.000 0.304 315 M C -0.751 175.525 176.300 -0.040 0.000 1.019 315 M CA -0.554 54.646 55.300 -0.167 0.000 0.922 315 M CB 2.145 34.638 32.600 -0.178 0.000 1.600 315 M HN 0.416 nan 8.290 nan 0.000 0.433 316 I N 4.964 125.675 120.570 0.234 0.000 2.306 316 I HA 0.396 4.566 4.170 0.000 0.000 0.288 316 I C -0.733 175.654 176.117 0.449 0.000 1.036 316 I CA -0.240 61.320 61.300 0.434 0.000 1.221 316 I CB 0.523 38.807 38.000 0.474 0.000 1.385 316 I HN 0.603 nan 8.210 nan 0.000 0.472 317 I N 5.309 126.096 120.570 0.361 0.000 2.354 317 I HA 0.302 4.472 4.170 0.000 0.000 0.286 317 I C -0.187 176.105 176.117 0.293 0.000 1.007 317 I CA -0.492 60.993 61.300 0.309 0.000 1.167 317 I CB 1.231 39.343 38.000 0.186 0.000 1.320 317 I HN 0.452 nan 8.210 nan 0.000 0.458 318 D N 4.304 124.883 120.400 0.299 0.000 2.388 318 D HA 0.685 5.325 4.640 0.000 0.000 0.254 318 D C 0.090 176.506 176.300 0.193 0.000 1.111 318 D CA 0.360 54.500 54.000 0.233 0.000 0.993 318 D CB 2.017 42.943 40.800 0.211 0.000 1.118 318 D HN 0.789 nan 8.370 nan 0.000 0.502 319 G N 1.358 110.248 108.800 0.150 0.000 2.770 319 G HA2 -0.140 3.820 3.960 0.000 0.000 0.686 319 G HA3 -0.140 3.820 3.960 0.000 0.000 0.686 319 G C 0.458 175.430 174.900 0.119 0.000 1.180 319 G CA 0.139 45.314 45.100 0.126 0.000 0.767 319 G HN 0.437 nan 8.290 nan 0.000 0.646 320 E N 0.571 120.835 120.200 0.107 0.000 2.153 320 E HA -0.068 4.282 4.350 0.000 0.000 0.194 320 E C 2.177 178.835 176.600 0.095 0.000 0.988 320 E CA 2.399 58.870 56.400 0.119 0.000 0.811 320 E CB -0.018 29.746 29.700 0.107 0.000 0.746 320 E HN 0.719 nan 8.360 nan 0.000 0.466 321 E N 0.193 120.440 120.200 0.079 0.000 2.204 321 E HA 0.021 4.371 4.350 0.000 0.000 0.194 321 E C 0.299 176.924 176.600 0.042 0.000 0.989 321 E CA 0.892 57.326 56.400 0.057 0.000 0.824 321 E CB -0.198 29.535 29.700 0.055 0.000 0.756 321 E HN 0.276 nan 8.360 nan 0.000 0.477 322 A N 2.236 125.089 122.820 0.056 0.000 2.404 322 A HA 0.200 4.520 4.320 0.000 0.000 0.273 322 A C -1.479 176.120 177.584 0.025 0.000 1.144 322 A CA -1.282 50.777 52.037 0.035 0.000 0.806 322 A CB 0.265 19.304 19.000 0.066 0.000 1.080 322 A HN -0.039 nan 8.150 nan 0.000 0.509 323 P HA -0.049 nan 4.420 nan 0.000 0.217 323 P C 0.285 177.605 177.300 0.034 0.000 1.150 323 P CA 0.978 64.073 63.100 -0.008 0.000 0.832 323 P CB 0.083 31.759 31.700 -0.039 0.000 0.787 324 V N 0.280 120.226 119.914 0.054 0.000 2.417 324 V HA 0.458 4.578 4.120 0.000 0.000 0.291 324 V C 1.201 177.401 176.094 0.176 0.000 1.024 324 V CA -0.088 62.296 62.300 0.139 0.000 0.861 324 V CB 1.217 33.143 31.823 0.171 0.000 0.985 324 V HN -0.002 nan 8.190 nan 0.000 0.436 325 A N 4.564 127.523 122.820 0.231 0.000 2.220 325 A HA 0.327 4.647 4.320 0.000 0.000 0.211 325 A C 0.133 177.947 177.584 0.383 0.000 1.176 325 A CA 0.511 52.708 52.037 0.267 0.000 0.834 325 A CB 0.137 19.279 19.000 0.236 0.000 0.868 325 A HN 0.757 nan 8.150 nan 0.000 0.488 326 Y N -0.311 120.115 120.300 0.209 0.000 2.436 326 Y HA 0.450 5.000 4.550 0.000 0.000 0.327 326 Y C -0.429 175.539 175.900 0.113 0.000 1.138 326 Y CA -0.404 57.811 58.100 0.191 0.000 1.042 326 Y CB 1.438 40.056 38.460 0.264 0.000 1.302 326 Y HN 0.129 nan 8.280 nan 0.000 0.439 327 T N 3.794 118.070 114.554 -0.463 0.000 2.906 327 T HA 0.886 5.236 4.350 0.000 0.000 0.295 327 T C -1.528 172.793 174.700 -0.632 0.000 1.075 327 T CA -0.808 61.022 62.100 -0.451 0.000 1.005 327 T CB 1.933 70.528 68.868 -0.454 0.000 1.136 327 T HN 0.608 nan 8.240 nan 0.000 0.498 328 L N 0.847 121.804 121.223 -0.442 0.000 2.393 328 L HA 0.495 4.835 4.340 0.000 0.000 0.260 328 L C -0.712 175.974 176.870 -0.306 0.000 1.002 328 L CA -1.252 53.379 54.840 -0.348 0.000 0.818 328 L CB 2.284 44.219 42.059 -0.208 0.000 1.369 328 L HN 0.738 nan 8.230 nan 0.000 0.412 329 D N 0.976 121.234 120.400 -0.236 0.000 2.434 329 D HA -0.032 4.608 4.640 0.000 0.000 0.252 329 D C -0.288 176.029 176.300 0.027 0.000 1.185 329 D CA 0.600 54.533 54.000 -0.112 0.000 0.886 329 D CB 1.171 42.023 40.800 0.087 0.000 1.148 329 D HN 0.511 nan 8.370 nan 0.000 0.483 330 D N 1.910 122.323 120.400 0.022 0.000 2.462 330 D HA 0.059 4.699 4.640 0.000 0.000 0.221 330 D C -0.304 176.061 176.300 0.108 0.000 1.173 330 D CA -0.182 53.858 54.000 0.066 0.000 0.831 330 D CB 0.391 41.170 40.800 -0.034 0.000 1.001 330 D HN 0.220 nan 8.370 nan 0.000 0.499 331 T N 1.493 116.152 114.554 0.175 0.000 2.946 331 T HA -0.016 4.334 4.350 0.000 0.000 0.312 331 T C 0.514 175.268 174.700 0.091 0.000 1.066 331 T CA 0.037 62.239 62.100 0.169 0.000 1.138 331 T CB 0.736 69.715 68.868 0.185 0.000 1.014 331 T HN -0.025 nan 8.240 nan 0.000 0.544 332 K N 3.863 124.286 120.400 0.039 0.000 2.319 332 K HA 0.073 4.393 4.320 0.000 0.000 0.265 332 K C -1.388 175.088 176.600 -0.206 0.000 1.000 332 K CA -1.696 54.523 56.287 -0.115 0.000 0.943 332 K CB 0.328 32.796 32.500 -0.054 0.000 0.950 332 K HN 0.363 nan 8.250 nan 0.000 0.485 333 P HA -0.136 nan 4.420 nan 0.000 0.221 333 P C 0.366 177.577 177.300 -0.148 0.000 1.145 333 P CA 1.315 64.179 63.100 -0.393 0.000 0.795 333 P CB 0.343 31.682 31.700 -0.601 0.000 0.775 334 E N -0.884 119.254 120.200 -0.103 0.000 2.347 334 E HA 0.103 4.453 4.350 0.000 0.000 0.196 334 E C 1.635 178.223 176.600 -0.020 0.000 1.008 334 E CA 1.166 57.546 56.400 -0.033 0.000 0.852 334 E CB -0.742 28.961 29.700 0.006 0.000 0.783 334 E HN 0.332 nan 8.360 nan 0.000 0.505 335 G N 0.425 109.214 108.800 -0.018 0.000 2.179 335 G HA2 -0.256 3.704 3.960 0.000 0.000 0.220 335 G HA3 -0.256 3.704 3.960 0.000 0.000 0.220 335 G C 0.124 175.020 174.900 -0.006 0.000 0.990 335 G CA 0.165 45.255 45.100 -0.018 0.000 0.646 335 G HN 0.338 nan 8.290 nan 0.000 0.517 336 N N -0.502 118.218 118.700 0.033 0.000 2.604 336 N HA 0.521 5.261 4.740 0.000 0.000 0.297 336 N C 0.483 176.100 175.510 0.179 0.000 1.266 336 N CA -0.811 52.249 53.050 0.017 0.000 0.961 336 N CB -0.055 38.381 38.487 -0.086 0.000 1.166 336 N HN 0.602 nan 8.380 nan 0.000 0.601 337 Y N -2.443 117.888 120.300 0.051 0.000 3.037 337 Y HA -0.162 4.388 4.550 0.000 0.000 0.204 337 Y C 0.602 176.634 175.900 0.219 0.000 1.275 337 Y CA 0.283 58.470 58.100 0.145 0.000 1.066 337 Y CB -2.352 36.171 38.460 0.105 0.000 1.305 337 Y HN 0.732 nan 8.280 nan 0.000 0.499 338 A N 0.454 123.434 122.820 0.267 0.000 2.566 338 A HA 0.533 4.853 4.320 0.000 0.000 0.245 338 A C 0.726 178.561 177.584 0.417 0.000 1.056 338 A CA 0.591 52.799 52.037 0.285 0.000 0.757 338 A CB 0.038 19.130 19.000 0.152 0.000 0.979 338 A HN 1.465 nan 8.150 nan 0.000 0.508 339 A N 2.688 125.745 122.820 0.395 0.000 2.574 339 A HA 0.686 5.006 4.320 0.000 0.000 0.297 339 A C -0.776 176.781 177.584 -0.046 0.000 1.062 339 A CA -0.491 51.578 52.037 0.053 0.000 0.686 339 A CB 1.003 19.741 19.000 -0.438 0.000 1.285 339 A HN 0.785 nan 8.150 nan 0.000 0.403 340 I N 2.756 123.197 120.570 -0.214 0.000 2.406 340 I HA 0.374 4.544 4.170 0.000 0.000 0.290 340 I C -0.178 175.768 176.117 -0.284 0.000 0.999 340 I CA -0.493 60.542 61.300 -0.441 0.000 1.124 340 I CB 1.850 39.396 38.000 -0.756 0.000 1.289 340 I HN 0.650 nan 8.210 nan 0.000 0.441 341 M N 5.897 125.333 119.600 -0.273 0.000 2.157 341 M HA 0.571 5.051 4.480 0.000 0.000 0.354 341 M C -0.475 175.676 176.300 -0.248 0.000 1.170 341 M CA -0.209 54.966 55.300 -0.209 0.000 1.060 341 M CB 0.889 33.392 32.600 -0.162 0.000 1.615 341 M HN 0.690 nan 8.290 nan 0.000 0.460 342 G N 4.703 113.415 108.800 -0.148 0.000 2.571 342 G HA2 0.673 4.633 3.960 0.000 0.000 0.304 342 G HA3 0.673 4.633 3.960 0.000 0.000 0.304 342 G C -1.816 173.034 174.900 -0.083 0.000 1.314 342 G CA -0.532 44.527 45.100 -0.069 0.000 0.975 342 G HN 0.669 nan 8.290 nan 0.000 0.485 343 F N 1.018 121.113 119.950 0.241 0.000 2.410 343 F HA 0.442 4.969 4.527 0.000 0.000 0.349 343 F C 0.668 176.575 175.800 0.178 0.000 1.117 343 F CA -0.655 57.485 58.000 0.234 0.000 1.104 343 F CB 1.867 41.032 39.000 0.275 0.000 1.122 343 F HN 0.064 nan 8.300 nan 0.000 0.483 344 I N 5.528 126.302 120.570 0.340 0.000 2.301 344 I HA 0.228 4.398 4.170 0.000 0.000 0.292 344 I C -0.598 175.605 176.117 0.144 0.000 1.046 344 I CA -0.231 61.184 61.300 0.192 0.000 1.282 344 I CB 0.601 38.684 38.000 0.138 0.000 1.409 344 I HN 0.402 nan 8.210 nan 0.000 0.484 345 L N 6.556 127.825 121.223 0.078 0.000 2.317 345 L HA 0.692 5.032 4.340 0.000 0.000 0.281 345 L C 0.975 177.809 176.870 -0.059 0.000 1.024 345 L CA -0.174 54.671 54.840 0.008 0.000 0.810 345 L CB 1.518 43.592 42.059 0.025 0.000 1.240 345 L HN 0.896 nan 8.230 nan 0.000 0.427 346 A N 2.181 124.957 122.820 -0.074 0.000 5.308 346 A HA -0.371 3.949 4.320 0.000 0.000 0.321 346 A C 1.709 179.280 177.584 -0.023 0.000 1.849 346 A CA 1.590 53.591 52.037 -0.059 0.000 0.713 346 A CB -1.606 17.359 19.000 -0.058 0.000 1.360 346 A HN 1.087 nan 8.150 nan 0.000 0.384 347 H N 1.146 120.203 119.070 -0.022 0.000 2.457 347 H HA -0.027 4.529 4.556 0.000 0.000 0.297 347 H C 1.650 176.992 175.328 0.024 0.000 1.092 347 H CA 1.854 57.907 56.048 0.008 0.000 1.309 347 H CB -0.348 29.428 29.762 0.023 0.000 1.382 347 H HN 0.742 nan 8.280 nan 0.000 0.535 348 K N 0.705 120.736 120.400 -0.614 0.000 2.155 348 K HA 0.084 4.404 4.320 0.000 0.000 0.203 348 K C 2.610 179.139 176.600 -0.119 0.000 1.052 348 K CA 0.821 56.881 56.287 -0.377 0.000 0.948 348 K CB 0.058 32.360 32.500 -0.330 0.000 0.728 348 K HN 0.304 nan 8.250 nan 0.000 0.448 349 A N 1.770 124.551 122.820 -0.064 0.000 1.883 349 A HA -0.209 4.111 4.320 0.000 0.000 0.217 349 A C 2.115 179.709 177.584 0.016 0.000 1.186 349 A CA 1.537 53.580 52.037 0.010 0.000 0.624 349 A CB -0.410 18.610 19.000 0.034 0.000 0.822 349 A HN 0.125 nan 8.150 nan 0.000 0.444 350 R N -0.272 120.237 120.500 0.014 0.000 2.082 350 R HA -0.135 4.205 4.340 0.000 0.000 0.234 350 R C 2.422 178.738 176.300 0.028 0.000 1.136 350 R CA 2.011 58.130 56.100 0.031 0.000 0.935 350 R CB -0.344 29.988 30.300 0.053 0.000 0.842 350 R HN 0.577 nan 8.270 nan 0.000 0.430 351 K N 0.574 120.987 120.400 0.021 0.000 2.009 351 K HA -0.141 4.179 4.320 0.000 0.000 0.210 351 K C 1.783 178.392 176.600 0.016 0.000 1.049 351 K CA 1.581 57.885 56.287 0.028 0.000 0.929 351 K CB -0.140 32.380 32.500 0.034 0.000 0.714 351 K HN 0.189 nan 8.250 nan 0.000 0.440 352 L N 0.282 121.507 121.223 0.004 0.000 2.552 352 L HA 0.018 4.358 4.340 0.000 0.000 0.227 352 L C 2.272 179.156 176.870 0.024 0.000 1.146 352 L CA 0.326 55.173 54.840 0.012 0.000 0.858 352 L CB -0.249 41.815 42.059 0.008 0.000 0.969 352 L HN 0.181 nan 8.230 nan 0.000 0.451 353 A N 0.418 123.254 122.820 0.026 0.000 2.121 353 A HA -0.194 4.126 4.320 0.000 0.000 0.218 353 A C 2.436 180.034 177.584 0.022 0.000 1.154 353 A CA 1.139 53.193 52.037 0.028 0.000 0.679 353 A CB -0.491 18.525 19.000 0.027 0.000 0.795 353 A HN 0.371 nan 8.150 nan 0.000 0.458 354 R N -0.568 119.943 120.500 0.019 0.000 2.148 354 R HA 0.068 4.408 4.340 0.000 0.000 0.223 354 R C 0.264 176.573 176.300 0.014 0.000 1.088 354 R CA 0.264 56.373 56.100 0.015 0.000 0.985 354 R CB -0.308 30.001 30.300 0.015 0.000 0.880 354 R HN 0.498 nan 8.270 nan 0.000 0.451 355 L N 0.819 122.051 121.223 0.015 0.000 2.475 355 L HA 0.139 4.479 4.340 0.000 0.000 0.253 355 L C 0.860 177.741 176.870 0.019 0.000 1.198 355 L CA -0.421 54.427 54.840 0.013 0.000 0.814 355 L CB 0.726 42.789 42.059 0.008 0.000 1.134 355 L HN 0.192 nan 8.230 nan 0.000 0.478 356 T N -2.746 111.817 114.554 0.015 0.000 2.849 356 T HA 0.123 4.473 4.350 0.000 0.000 0.284 356 T C 0.932 175.656 174.700 0.040 0.000 1.004 356 T CA -0.652 61.462 62.100 0.023 0.000 1.021 356 T CB 1.272 70.149 68.868 0.016 0.000 1.013 356 T HN 0.629 nan 8.240 nan 0.000 0.527 357 K N 0.266 120.706 120.400 0.066 0.000 2.059 357 K HA -0.200 4.120 4.320 0.000 0.000 0.212 357 K C 2.117 178.757 176.600 0.067 0.000 1.050 357 K CA 1.946 58.313 56.287 0.134 0.000 0.927 357 K CB -0.128 32.458 32.500 0.144 0.000 0.714 357 K HN 0.662 nan 8.250 nan 0.000 0.447 358 E N 0.575 120.786 120.200 0.017 0.000 2.110 358 E HA -0.189 4.161 4.350 0.000 0.000 0.193 358 E C 1.915 178.468 176.600 -0.079 0.000 0.988 358 E CA 1.266 57.642 56.400 -0.041 0.000 0.804 358 E CB -0.169 29.519 29.700 -0.019 0.000 0.745 358 E HN 0.497 nan 8.360 nan 0.000 0.458 359 E N 0.741 120.913 120.200 -0.047 0.000 2.072 359 E HA -0.108 4.242 4.350 0.000 0.000 0.191 359 E C 2.268 178.820 176.600 -0.080 0.000 0.985 359 E CA 0.609 56.977 56.400 -0.052 0.000 0.801 359 E CB -0.080 29.605 29.700 -0.025 0.000 0.750 359 E HN 0.146 nan 8.360 nan 0.000 0.452 360 R N 0.413 120.870 120.500 -0.071 0.000 2.073 360 R HA -0.139 4.201 4.340 0.000 0.000 0.234 360 R C 2.518 178.667 176.300 -0.251 0.000 1.134 360 R CA 0.909 56.955 56.100 -0.090 0.000 0.952 360 R CB -0.432 29.883 30.300 0.024 0.000 0.850 360 R HN 0.119 nan 8.270 nan 0.000 0.433 361 L N 1.797 122.746 121.223 -0.457 0.000 2.013 361 L HA -0.237 4.103 4.340 0.000 0.000 0.212 361 L C 2.194 178.849 176.870 -0.358 0.000 1.073 361 L CA 1.936 56.349 54.840 -0.711 0.000 0.753 361 L CB -0.479 41.105 42.059 -0.791 0.000 0.890 361 L HN 0.003 nan 8.230 nan 0.000 0.432 362 K N -0.567 119.698 120.400 -0.226 0.000 2.044 362 K HA -0.235 4.085 4.320 0.000 0.000 0.210 362 K C 2.173 178.689 176.600 -0.140 0.000 1.049 362 K CA 1.889 58.092 56.287 -0.141 0.000 0.927 362 K CB -0.097 32.348 32.500 -0.092 0.000 0.713 362 K HN 0.354 nan 8.250 nan 0.000 0.443 363 K N 0.030 120.340 120.400 -0.149 0.000 2.097 363 K HA -0.145 4.175 4.320 0.000 0.000 0.206 363 K C 2.036 178.501 176.600 -0.226 0.000 1.049 363 K CA 1.036 57.237 56.287 -0.144 0.000 0.933 363 K CB -0.073 32.362 32.500 -0.109 0.000 0.717 363 K HN 0.061 nan 8.250 nan 0.000 0.442 364 L N 0.724 121.762 121.223 -0.308 0.000 2.072 364 L HA -0.164 4.176 4.340 0.000 0.000 0.205 364 L C 2.411 178.879 176.870 -0.670 0.000 1.079 364 L CA 1.454 55.955 54.840 -0.565 0.000 0.752 364 L CB -0.699 41.077 42.059 -0.472 0.000 0.906 364 L HN 0.210 nan 8.230 nan 0.000 0.436 365 C N -0.672 118.459 119.300 -0.282 0.000 2.432 365 C HA -0.145 4.315 4.460 0.000 0.000 0.277 365 C C 2.619 177.591 174.990 -0.030 0.000 1.249 365 C CA 0.488 59.488 59.018 -0.031 0.000 1.725 365 C CB -0.758 27.010 27.740 0.047 0.000 2.028 365 C HN 0.545 nan 8.230 nan 0.000 0.477 366 E N 0.419 120.570 120.200 -0.082 0.000 2.110 366 E HA -0.221 4.129 4.350 0.000 0.000 0.193 366 E C 1.978 178.537 176.600 -0.068 0.000 0.988 366 E CA 0.954 57.323 56.400 -0.051 0.000 0.804 366 E CB -0.255 29.413 29.700 -0.053 0.000 0.745 366 E HN 0.514 nan 8.360 nan 0.000 0.458 367 L N 0.190 121.316 121.223 -0.161 0.000 2.027 367 L HA -0.187 4.153 4.340 0.000 0.000 0.206 367 L C 1.952 178.787 176.870 -0.059 0.000 1.074 367 L CA 1.731 56.472 54.840 -0.165 0.000 0.745 367 L CB -0.574 41.333 42.059 -0.254 0.000 0.898 367 L HN 0.188 nan 8.230 nan 0.000 0.433 368 Y N -0.687 119.602 120.300 -0.019 0.000 2.224 368 Y HA -0.224 4.326 4.550 0.000 0.000 0.289 368 Y C 2.541 178.459 175.900 0.029 0.000 1.146 368 Y CA 0.393 58.489 58.100 -0.006 0.000 1.182 368 Y CB -0.544 37.955 38.460 0.065 0.000 0.983 368 Y HN 0.373 nan 8.280 nan 0.000 0.524 369 A N 0.662 123.593 122.820 0.185 0.000 1.883 369 A HA -0.281 4.039 4.320 0.000 0.000 0.217 369 A C 2.160 179.796 177.584 0.086 0.000 1.186 369 A CA 2.161 54.272 52.037 0.124 0.000 0.624 369 A CB -0.674 18.371 19.000 0.075 0.000 0.822 369 A HN 0.419 nan 8.150 nan 0.000 0.444 370 K N -0.496 119.930 120.400 0.044 0.000 2.002 370 K HA -0.090 4.230 4.320 0.000 0.000 0.209 370 K C 1.865 178.479 176.600 0.022 0.000 1.048 370 K CA 1.656 57.963 56.287 0.034 0.000 0.930 370 K CB -0.304 32.203 32.500 0.012 0.000 0.714 370 K HN 0.224 nan 8.250 nan 0.000 0.438 371 V N 1.596 121.463 119.914 -0.079 0.000 2.343 371 V HA -0.227 3.893 4.120 0.000 0.000 0.247 371 V C 2.082 178.141 176.094 -0.059 0.000 1.051 371 V CA 1.589 63.806 62.300 -0.139 0.000 1.036 371 V CB -0.326 31.362 31.823 -0.225 0.000 0.654 371 V HN 0.322 nan 8.190 nan 0.000 0.451 372 L N 0.414 121.634 121.223 -0.005 0.000 2.591 372 L HA 0.317 4.657 4.340 0.000 0.000 0.228 372 L C 1.604 178.606 176.870 0.219 0.000 1.133 372 L CA 0.615 55.481 54.840 0.042 0.000 0.880 372 L CB -0.690 41.485 42.059 0.193 0.000 1.033 372 L HN 0.519 nan 8.230 nan 0.000 0.450 373 G N 0.710 109.599 108.800 0.149 0.000 2.390 373 G HA2 -0.271 3.689 3.960 0.000 0.000 0.299 373 G HA3 -0.271 3.689 3.960 0.000 0.000 0.299 373 G C -0.005 174.983 174.900 0.148 0.000 1.002 373 G CA 0.554 45.741 45.100 0.146 0.000 0.979 373 G HN 0.348 nan 8.290 nan 0.000 0.513 374 S N -0.817 114.967 115.700 0.140 0.000 2.733 374 S HA 0.446 4.916 4.470 0.000 0.000 0.294 374 S C 1.262 175.852 174.600 -0.018 0.000 1.149 374 S CA -0.737 57.512 58.200 0.083 0.000 1.034 374 S CB 1.657 64.974 63.200 0.195 0.000 1.015 374 S HN 0.252 nan 8.310 nan 0.000 0.486 375 L N 2.155 123.343 121.223 -0.058 0.000 2.127 375 L HA -0.131 4.209 4.340 0.000 0.000 0.211 375 L C 2.335 179.104 176.870 -0.167 0.000 1.089 375 L CA 1.315 56.109 54.840 -0.076 0.000 0.757 375 L CB -0.317 41.710 42.059 -0.053 0.000 0.899 375 L HN 0.695 nan 8.230 nan 0.000 0.434 376 E N 0.224 120.200 120.200 -0.373 0.000 2.209 376 E HA -0.247 4.103 4.350 0.000 0.000 0.196 376 E C 2.248 178.491 176.600 -0.595 0.000 0.993 376 E CA 1.008 57.032 56.400 -0.625 0.000 0.819 376 E CB -0.170 28.813 29.700 -1.195 0.000 0.745 376 E HN 0.536 nan 8.360 nan 0.000 0.477 377 A N 0.812 123.359 122.820 -0.455 0.000 2.131 377 A HA -0.143 4.177 4.320 0.000 0.000 0.220 377 A C 1.934 179.713 177.584 0.326 0.000 1.158 377 A CA 0.910 53.006 52.037 0.100 0.000 0.665 377 A CB -0.409 18.773 19.000 0.303 0.000 0.795 377 A HN 0.178 nan 8.150 nan 0.000 0.460 378 L N -0.441 120.864 121.223 0.136 0.000 2.591 378 L HA 0.078 4.418 4.340 0.000 0.000 0.228 378 L C 0.186 177.142 176.870 0.143 0.000 1.133 378 L CA 0.103 55.019 54.840 0.126 0.000 0.880 378 L CB -0.025 42.063 42.059 0.047 0.000 1.033 378 L HN 0.239 nan 8.230 nan 0.000 0.450 379 E N 1.253 121.586 120.200 0.222 0.000 3.312 379 E HA 0.264 4.614 4.350 0.000 0.000 0.215 379 E C -2.308 174.458 176.600 0.277 0.000 1.160 379 E CA -1.652 54.863 56.400 0.192 0.000 1.267 379 E CB 0.329 30.102 29.700 0.122 0.000 1.361 379 E HN 0.134 nan 8.360 nan 0.000 0.433 380 P HA -0.012 nan 4.420 nan 0.000 0.269 380 P C 1.179 178.502 177.300 0.037 0.000 1.209 380 P CA -0.058 62.986 63.100 -0.094 0.000 0.776 380 P CB 1.420 33.034 31.700 -0.144 0.000 0.876 381 V N -1.091 118.867 119.914 0.073 0.000 3.307 381 V HA 0.243 4.363 4.120 0.000 0.000 0.253 381 V C 0.570 176.786 176.094 0.205 0.000 1.149 381 V CA 0.960 63.341 62.300 0.136 0.000 1.112 381 V CB -1.215 30.692 31.823 0.141 0.000 0.777 381 V HN 0.674 nan 8.190 nan 0.000 0.464 382 H N -1.337 117.800 119.070 0.111 0.000 3.003 382 H HA 0.614 5.170 4.556 0.000 0.000 0.327 382 H C -2.258 173.273 175.328 0.337 0.000 1.353 382 H CA -0.713 55.418 56.048 0.139 0.000 1.142 382 H CB 1.969 31.707 29.762 -0.040 0.000 1.864 382 H HN 0.147 nan 8.280 nan 0.000 0.529 383 Y N 1.698 121.735 120.300 -0.438 0.000 2.441 383 Y HA 0.478 5.028 4.550 0.000 0.000 0.334 383 Y C -1.633 174.147 175.900 -0.200 0.000 1.061 383 Y CA -0.627 57.390 58.100 -0.138 0.000 1.032 383 Y CB 1.605 39.997 38.460 -0.115 0.000 1.266 383 Y HN 0.616 nan 8.280 nan 0.000 0.441 384 E N 4.302 124.276 120.200 -0.377 0.000 2.312 384 E HA 0.470 4.820 4.350 0.000 0.000 0.267 384 E C -1.427 174.794 176.600 -0.631 0.000 0.894 384 E CA -0.834 55.343 56.400 -0.371 0.000 0.773 384 E CB 2.754 32.476 29.700 0.037 0.000 1.241 384 E HN 0.763 nan 8.360 nan 0.000 0.432 385 E N 0.094 120.050 120.200 -0.407 0.000 2.390 385 E HA 0.639 4.989 4.350 0.000 0.000 0.280 385 E C -1.296 175.257 176.600 -0.079 0.000 0.992 385 E CA -1.062 55.187 56.400 -0.251 0.000 0.790 385 E CB 2.095 31.613 29.700 -0.303 0.000 1.248 385 E HN 0.112 nan 8.360 nan 0.000 0.447 386 K N 1.480 121.885 120.400 0.008 0.000 2.541 386 K HA 0.331 4.651 4.320 0.000 0.000 0.250 386 K C -1.605 174.963 176.600 -0.052 0.000 0.950 386 K CA -0.617 55.617 56.287 -0.087 0.000 0.805 386 K CB 1.519 33.934 32.500 -0.142 0.000 1.166 386 K HN 0.517 nan 8.250 nan 0.000 0.430 387 N N 4.147 122.780 118.700 -0.111 0.000 2.437 387 N HA 0.106 4.846 4.740 0.000 0.000 0.243 387 N C -0.213 175.225 175.510 -0.119 0.000 1.041 387 N CA -0.235 52.800 53.050 -0.024 0.000 0.940 387 N CB 0.333 38.820 38.487 0.000 0.000 1.133 387 N HN 0.685 nan 8.380 nan 0.000 0.506 388 W N 2.208 123.551 121.300 0.071 0.000 2.678 388 W HA 0.055 4.715 4.660 -0.000 0.000 0.256 388 W C 2.059 178.598 176.519 0.033 0.000 1.280 388 W CA -0.044 57.339 57.345 0.062 0.000 1.345 388 W CB -0.137 29.375 29.460 0.087 0.000 1.118 388 W HN 0.590 nan 8.180 nan 0.000 0.629 389 C N 0.607 120.016 119.300 0.183 0.000 2.409 389 C HA -0.185 4.275 4.460 0.000 0.000 0.288 389 C C 2.289 177.308 174.990 0.048 0.000 1.395 389 C CA 1.552 60.632 59.018 0.103 0.000 1.792 389 C CB -1.571 26.211 27.740 0.070 0.000 1.847 389 C HN 0.493 nan 8.230 nan 0.000 0.534 390 E N 0.663 120.869 120.200 0.010 0.000 2.479 390 E HA 0.019 4.369 4.350 0.000 0.000 0.193 390 E C -0.161 176.409 176.600 -0.050 0.000 1.049 390 E CA 0.229 56.610 56.400 -0.033 0.000 0.870 390 E CB -0.132 29.534 29.700 -0.056 0.000 0.944 390 E HN 0.501 nan 8.360 nan 0.000 0.492 391 E N 2.226 122.419 120.200 -0.012 0.000 2.052 391 E HA -0.013 4.337 4.350 0.000 0.000 0.283 391 E C 0.500 177.082 176.600 -0.029 0.000 1.071 391 E CA -0.041 56.356 56.400 -0.004 0.000 0.851 391 E CB 1.532 31.293 29.700 0.102 0.000 1.066 391 E HN 0.358 nan 8.360 nan 0.000 0.396 392 Q N 2.951 122.661 119.800 -0.150 0.000 2.152 392 Q HA -0.209 4.131 4.340 0.000 0.000 0.206 392 Q C 0.362 176.113 176.000 -0.416 0.000 0.985 392 Q CA 1.735 57.324 55.803 -0.357 0.000 0.863 392 Q CB 0.069 28.448 28.738 -0.598 0.000 0.904 392 Q HN 0.610 nan 8.270 nan 0.000 0.422 393 Y N -1.136 119.196 120.300 0.052 0.000 2.524 393 Y HA 0.270 4.820 4.550 0.000 0.000 0.266 393 Y C 1.478 177.441 175.900 0.104 0.000 1.180 393 Y CA -0.340 57.800 58.100 0.066 0.000 1.244 393 Y CB 0.945 39.435 38.460 0.051 0.000 1.125 393 Y HN 0.078 nan 8.280 nan 0.000 0.524 394 S N -1.633 114.196 115.700 0.215 0.000 2.931 394 S HA 0.287 4.757 4.470 0.000 0.000 0.251 394 S C 1.829 176.516 174.600 0.145 0.000 1.078 394 S CA 0.585 58.920 58.200 0.224 0.000 0.835 394 S CB 0.595 64.019 63.200 0.374 0.000 0.798 394 S HN 0.531 nan 8.310 nan 0.000 0.495 395 G N 1.001 109.868 108.800 0.111 0.000 2.253 395 G HA2 0.050 4.010 3.960 0.000 0.000 0.251 395 G HA3 0.050 4.010 3.960 0.000 0.000 0.251 395 G C 0.478 175.424 174.900 0.076 0.000 0.998 395 G CA 0.113 45.246 45.100 0.056 0.000 0.621 395 G HN 1.349 nan 8.290 nan 0.000 0.524 396 G N -2.307 106.577 108.800 0.139 0.000 2.345 396 G HA2 0.532 4.492 3.960 0.000 0.000 0.285 396 G HA3 0.532 4.492 3.960 0.000 0.000 0.285 396 G C -1.147 173.836 174.900 0.139 0.000 1.297 396 G CA 0.369 45.559 45.100 0.150 0.000 0.875 396 G HN 1.469 nan 8.290 nan 0.000 0.506 397 C N -1.529 117.803 119.300 0.053 0.000 3.307 397 C HA 0.580 5.040 4.460 0.000 0.000 0.333 397 C C 0.647 175.490 174.990 -0.245 0.000 1.291 397 C CA -0.667 58.310 59.018 -0.069 0.000 1.273 397 C CB 0.744 28.351 27.740 -0.222 0.000 1.580 397 C HN 0.720 nan 8.230 nan 0.000 0.481 398 Y N 0.696 120.936 120.300 -0.100 0.000 2.337 398 Y HA 0.240 4.790 4.550 0.000 0.000 0.293 398 Y C 1.602 177.473 175.900 -0.050 0.000 1.123 398 Y CA 1.148 59.157 58.100 -0.152 0.000 1.201 398 Y CB -0.344 37.999 38.460 -0.194 0.000 1.011 398 Y HN 0.688 nan 8.280 nan 0.000 0.545 399 T N -1.948 112.701 114.554 0.158 0.000 2.665 399 T HA 0.330 4.680 4.350 0.000 0.000 0.303 399 T C -0.835 173.976 174.700 0.185 0.000 1.334 399 T CA -0.699 61.529 62.100 0.214 0.000 1.011 399 T CB 1.006 70.097 68.868 0.371 0.000 1.573 399 T HN -0.158 nan 8.240 nan 0.000 0.492 400 T N 2.645 117.323 114.554 0.206 0.000 2.814 400 T HA 0.473 4.823 4.350 0.000 0.000 0.297 400 T C -0.809 173.938 174.700 0.078 0.000 0.956 400 T CA 0.084 62.216 62.100 0.052 0.000 1.123 400 T CB -0.482 68.417 68.868 0.052 0.000 0.902 400 T HN 0.460 nan 8.240 nan 0.000 0.528 401 Y N 1.078 121.183 120.300 -0.324 0.000 2.528 401 Y HA 0.795 5.345 4.550 0.000 0.000 0.335 401 Y C -1.201 174.179 175.900 -0.868 0.000 1.093 401 Y CA -2.231 55.302 58.100 -0.945 0.000 1.134 401 Y CB 0.753 38.734 38.460 -0.798 0.000 1.253 401 Y HN 0.388 nan 8.280 nan 0.000 0.478 402 F N 3.174 122.357 119.950 -1.279 0.000 2.411 402 F HA 0.566 5.093 4.527 0.000 0.000 0.352 402 F C -2.249 173.440 175.800 -0.185 0.000 1.123 402 F CA -2.746 54.889 58.000 -0.608 0.000 1.044 402 F CB 1.417 40.137 39.000 -0.467 0.000 1.135 402 F HN 0.360 nan 8.300 nan 0.000 0.461 403 P HA 0.106 nan 4.420 nan 0.000 0.273 403 P C -2.533 174.869 177.300 0.170 0.000 1.250 403 P CA -1.086 62.094 63.100 0.134 0.000 0.793 403 P CB -0.167 31.565 31.700 0.053 0.000 1.011 404 P HA -0.046 nan 4.420 nan 0.000 0.264 404 P C 0.939 178.332 177.300 0.156 0.000 1.183 404 P CA 1.310 64.513 63.100 0.172 0.000 0.763 404 P CB -0.049 31.733 31.700 0.138 0.000 0.807 405 G N 2.556 111.461 108.800 0.174 0.000 2.268 405 G HA2 -0.265 3.695 3.960 0.000 0.000 0.240 405 G HA3 -0.265 3.695 3.960 0.000 0.000 0.240 405 G C 0.814 175.834 174.900 0.201 0.000 1.010 405 G CA 0.143 45.337 45.100 0.157 0.000 0.618 405 G HN 0.434 nan 8.290 nan 0.000 0.516 406 I N 0.239 120.962 120.570 0.255 0.000 2.429 406 I HA 0.191 4.361 4.170 0.000 0.000 0.247 406 I C 2.623 178.998 176.117 0.431 0.000 1.099 406 I CA 1.138 62.649 61.300 0.352 0.000 1.422 406 I CB -1.241 36.895 38.000 0.227 0.000 1.112 406 I HN 0.256 nan 8.210 nan 0.000 0.430 407 L N 1.224 122.686 121.223 0.397 0.000 2.079 407 L HA -0.208 4.132 4.340 0.000 0.000 0.210 407 L C 2.620 179.584 176.870 0.156 0.000 1.081 407 L CA 2.445 57.388 54.840 0.172 0.000 0.752 407 L CB -0.959 41.100 42.059 0.000 0.000 0.896 407 L HN 0.429 nan 8.230 nan 0.000 0.433 408 T N -4.564 110.084 114.554 0.157 0.000 2.951 408 T HA -0.110 4.240 4.350 0.000 0.000 0.268 408 T C 1.755 176.431 174.700 -0.040 0.000 1.073 408 T CA 0.745 62.907 62.100 0.104 0.000 1.134 408 T CB -0.205 68.724 68.868 0.102 0.000 0.884 408 T HN 0.329 nan 8.240 nan 0.000 0.479 409 Q N -0.150 119.621 119.800 -0.047 0.000 2.204 409 Q HA 0.150 4.490 4.340 0.000 0.000 0.198 409 Q C 0.916 176.607 176.000 -0.516 0.000 0.946 409 Q CA 1.070 56.699 55.803 -0.290 0.000 0.859 409 Q CB 0.081 28.641 28.738 -0.298 0.000 0.946 409 Q HN 0.755 nan 8.270 nan 0.000 0.474 410 Y N -1.579 118.667 120.300 -0.088 0.000 2.563 410 Y HA 0.280 4.830 4.550 0.000 0.000 0.250 410 Y C 1.951 177.755 175.900 -0.160 0.000 1.126 410 Y CA 0.056 58.087 58.100 -0.116 0.000 1.231 410 Y CB 0.300 38.729 38.460 -0.052 0.000 1.288 410 Y HN 0.079 nan 8.280 nan 0.000 0.537 411 G N 1.565 110.309 108.800 -0.092 0.000 2.442 411 G HA2 -0.277 3.683 3.960 0.000 0.000 0.219 411 G HA3 -0.277 3.683 3.960 0.000 0.000 0.219 411 G C 1.741 176.248 174.900 -0.654 0.000 1.141 411 G CA 1.067 46.045 45.100 -0.203 0.000 0.763 411 G HN 0.414 nan 8.290 nan 0.000 0.554 412 R N 0.258 120.025 120.500 -1.221 0.000 2.328 412 R HA 0.119 4.459 4.340 0.000 0.000 0.207 412 R C 1.565 177.634 176.300 -0.386 0.000 1.056 412 R CA 0.887 56.312 56.100 -1.125 0.000 1.016 412 R CB -0.372 29.231 30.300 -1.162 0.000 0.872 412 R HN 0.272 nan 8.270 nan 0.000 0.471 413 V N 1.251 121.003 119.914 -0.270 0.000 3.052 413 V HA -0.058 4.062 4.120 0.000 0.000 0.254 413 V C 2.346 178.350 176.094 -0.150 0.000 1.100 413 V CA 0.593 62.797 62.300 -0.160 0.000 1.112 413 V CB -0.199 31.551 31.823 -0.122 0.000 0.738 413 V HN 0.234 nan 8.190 nan 0.000 0.469 414 L N 0.840 122.014 121.223 -0.083 0.000 2.021 414 L HA -0.235 4.105 4.340 0.000 0.000 0.215 414 L C 2.407 179.235 176.870 -0.070 0.000 1.074 414 L CA 2.323 57.130 54.840 -0.054 0.000 0.760 414 L CB -0.292 41.841 42.059 0.122 0.000 0.889 414 L HN 0.462 nan 8.230 nan 0.000 0.433 415 R N -0.729 119.826 120.500 0.091 0.000 2.543 415 R HA 0.139 4.479 4.340 0.000 0.000 0.323 415 R C 0.552 177.009 176.300 0.262 0.000 1.002 415 R CA -0.227 56.015 56.100 0.237 0.000 1.106 415 R CB -0.039 30.456 30.300 0.326 0.000 1.280 415 R HN 0.223 nan 8.270 nan 0.000 0.549 416 Q N 2.777 122.658 119.800 0.135 0.000 2.281 416 Q HA 0.205 4.545 4.340 0.000 0.000 0.267 416 Q C -2.100 174.013 176.000 0.187 0.000 1.053 416 Q CA -2.133 53.741 55.803 0.119 0.000 0.905 416 Q CB 0.855 29.608 28.738 0.024 0.000 1.195 416 Q HN 0.016 nan 8.270 nan 0.000 0.398 417 P HA -0.083 nan 4.420 nan 0.000 0.265 417 P C -1.221 176.059 177.300 -0.034 0.000 1.187 417 P CA 0.073 63.076 63.100 -0.162 0.000 0.766 417 P CB 0.589 31.950 31.700 -0.565 0.000 0.820 418 V N 3.585 123.488 119.914 -0.019 0.000 2.259 418 V HA 0.122 4.242 4.120 0.000 0.000 0.267 418 V C 0.785 176.839 176.094 -0.066 0.000 1.051 418 V CA 0.202 62.498 62.300 -0.006 0.000 0.830 418 V CB -0.080 31.776 31.823 0.055 0.000 1.080 418 V HN 0.786 nan 8.190 nan 0.000 0.467 419 D N 4.135 124.502 120.400 -0.055 0.000 4.471 419 D HA -0.317 4.323 4.640 0.000 0.000 0.191 419 D C 1.347 177.641 176.300 -0.010 0.000 0.625 419 D CA 2.519 56.507 54.000 -0.020 0.000 1.190 419 D CB -0.324 40.477 40.800 0.001 0.000 0.677 419 D HN 0.560 nan 8.370 nan 0.000 0.467 420 R N -0.201 120.319 120.500 0.032 0.000 2.509 420 R HA 0.455 4.795 4.340 0.000 0.000 0.300 420 R C -0.266 176.150 176.300 0.194 0.000 0.985 420 R CA -0.173 56.048 56.100 0.202 0.000 1.092 420 R CB 0.531 30.879 30.300 0.081 0.000 1.237 420 R HN 0.293 nan 8.270 nan 0.000 0.546 421 I N 1.310 121.837 120.570 -0.072 0.000 2.315 421 I HA 0.228 4.398 4.170 0.000 0.000 0.291 421 I C -0.599 175.171 176.117 -0.578 0.000 1.006 421 I CA -0.665 60.501 61.300 -0.225 0.000 1.265 421 I CB 0.616 38.449 38.000 -0.278 0.000 1.387 421 I HN -0.081 nan 8.210 nan 0.000 0.475 422 Y N 5.454 125.513 120.300 -0.401 0.000 2.457 422 Y HA 0.542 5.092 4.550 0.000 0.000 0.333 422 Y C -0.466 175.134 175.900 -0.499 0.000 1.119 422 Y CA -0.659 57.246 58.100 -0.326 0.000 1.143 422 Y CB 1.522 39.912 38.460 -0.117 0.000 1.230 422 Y HN 0.290 nan 8.280 nan 0.000 0.469 423 F N 1.304 121.361 119.950 0.178 0.000 2.467 423 F HA 0.728 5.255 4.527 -0.000 0.000 0.336 423 F C 0.395 176.275 175.800 0.133 0.000 1.123 423 F CA -0.551 57.529 58.000 0.135 0.000 0.964 423 F CB 1.282 40.345 39.000 0.105 0.000 1.136 423 F HN 0.603 nan 8.300 nan 0.000 0.447 424 A N 2.131 125.115 122.820 0.273 0.000 3.791 424 A HA 0.961 5.281 4.320 0.000 0.000 0.159 424 A C 0.281 177.999 177.584 0.222 0.000 1.359 424 A CA -0.482 51.674 52.037 0.199 0.000 0.899 424 A CB 0.054 19.126 19.000 0.121 0.000 1.642 424 A HN 1.540 nan 8.150 nan 0.000 0.612 425 G N -2.268 106.640 108.800 0.179 0.000 2.777 425 G HA2 0.080 4.040 3.960 0.000 0.000 0.686 425 G HA3 0.080 4.040 3.960 0.000 0.000 0.686 425 G C 0.462 175.489 174.900 0.212 0.000 1.177 425 G CA 0.647 45.858 45.100 0.185 0.000 0.775 425 G HN 1.599 nan 8.290 nan 0.000 0.613 426 T N 0.319 114.998 114.554 0.210 0.000 2.822 426 T HA -0.130 4.220 4.350 0.000 0.000 0.270 426 T C 2.097 176.991 174.700 0.324 0.000 1.064 426 T CA 2.705 64.955 62.100 0.250 0.000 1.131 426 T CB -0.180 68.832 68.868 0.240 0.000 0.858 426 T HN 0.637 nan 8.240 nan 0.000 0.483 427 E N 0.415 120.812 120.200 0.329 0.000 2.333 427 E HA -0.062 4.288 4.350 0.000 0.000 0.198 427 E C 2.177 179.027 176.600 0.417 0.000 1.007 427 E CA 1.505 58.150 56.400 0.408 0.000 0.845 427 E CB -0.146 29.761 29.700 0.345 0.000 0.766 427 E HN 0.712 nan 8.360 nan 0.000 0.507 428 T N -2.741 112.023 114.554 0.351 0.000 3.086 428 T HA 0.483 4.833 4.350 0.000 0.000 0.250 428 T C 0.759 175.690 174.700 0.386 0.000 1.074 428 T CA -0.026 62.283 62.100 0.348 0.000 0.988 428 T CB 0.273 69.325 68.868 0.306 0.000 0.988 428 T HN 0.092 nan 8.240 nan 0.000 0.530 429 A N 1.749 124.800 122.820 0.385 0.000 2.346 429 A HA 0.556 4.876 4.320 0.000 0.000 0.252 429 A C 1.458 179.305 177.584 0.439 0.000 1.089 429 A CA 0.099 52.364 52.037 0.380 0.000 0.797 429 A CB 0.354 19.536 19.000 0.303 0.000 1.047 429 A HN 0.505 nan 8.150 nan 0.000 0.494 430 T N -2.592 112.198 114.554 0.395 0.000 3.040 430 T HA 0.264 4.614 4.350 0.000 0.000 0.266 430 T C 0.157 174.967 174.700 0.184 0.000 1.005 430 T CA 0.568 62.864 62.100 0.325 0.000 0.906 430 T CB -0.401 68.613 68.868 0.243 0.000 1.082 430 T HN 0.764 nan 8.240 nan 0.000 0.531 431 H N -1.094 117.995 119.070 0.032 0.000 3.149 431 H HA 0.248 4.804 4.556 0.000 0.000 0.334 431 H C -1.044 174.282 175.328 -0.003 0.000 1.000 431 H CA -1.046 54.937 56.048 -0.109 0.000 1.415 431 H CB 0.892 30.650 29.762 -0.007 0.000 1.819 431 H HN 0.302 nan 8.280 nan 0.000 0.486 432 W N 2.059 123.076 121.300 -0.472 0.000 4.849 432 W HA -0.251 4.409 4.660 0.000 0.000 0.358 432 W C 0.546 176.971 176.519 -0.157 0.000 1.331 432 W CA 0.973 58.006 57.345 -0.520 0.000 0.844 432 W CB -1.697 27.390 29.460 -0.623 0.000 2.434 432 W HN 0.414 nan 8.180 nan 0.000 1.458 433 S N 0.523 116.237 115.700 0.023 0.000 2.573 433 S HA 0.340 4.810 4.470 0.000 0.000 0.297 433 S C 1.440 176.233 174.600 0.322 0.000 1.280 433 S CA 1.907 60.235 58.200 0.213 0.000 1.061 433 S CB 0.648 64.028 63.200 0.300 0.000 0.812 433 S HN 1.442 nan 8.310 nan 0.000 0.500 434 G N 3.166 112.239 108.800 0.454 0.000 2.234 434 G HA2 -0.218 3.742 3.960 0.000 0.000 0.235 434 G HA3 -0.218 3.742 3.960 0.000 0.000 0.235 434 G C -0.159 174.895 174.900 0.258 0.000 0.997 434 G CA 0.317 45.704 45.100 0.478 0.000 0.623 434 G HN 0.689 nan 8.290 nan 0.000 0.514 435 Y N -0.259 120.144 120.300 0.172 0.000 2.568 435 Y HA 0.711 5.261 4.550 0.000 0.000 0.327 435 Y C 2.062 177.997 175.900 0.058 0.000 1.163 435 Y CA -0.694 57.459 58.100 0.088 0.000 1.219 435 Y CB 0.754 39.251 38.460 0.063 0.000 1.308 435 Y HN -0.013 nan 8.280 nan 0.000 0.503 436 M N -0.130 119.573 119.600 0.172 0.000 2.106 436 M HA -0.244 4.236 4.480 0.000 0.000 0.259 436 M C 1.867 178.227 176.300 0.099 0.000 1.068 436 M CA 2.089 57.456 55.300 0.113 0.000 1.100 436 M CB -0.292 32.367 32.600 0.099 0.000 1.351 436 M HN 0.783 nan 8.290 nan 0.000 0.404 437 E N 0.698 120.934 120.200 0.059 0.000 2.049 437 E HA -0.163 4.187 4.350 0.000 0.000 0.198 437 E C 1.951 178.611 176.600 0.100 0.000 1.007 437 E CA 2.129 58.531 56.400 0.005 0.000 0.809 437 E CB -0.713 28.860 29.700 -0.211 0.000 0.749 437 E HN 0.448 nan 8.360 nan 0.000 0.450 438 G N -0.122 108.785 108.800 0.179 0.000 2.432 438 G HA2 -0.181 3.779 3.960 0.000 0.000 0.219 438 G HA3 -0.181 3.779 3.960 0.000 0.000 0.219 438 G C 1.685 176.693 174.900 0.181 0.000 1.135 438 G CA 1.007 46.231 45.100 0.207 0.000 0.767 438 G HN 0.472 nan 8.290 nan 0.000 0.550 439 A N 0.276 123.191 122.820 0.158 0.000 1.902 439 A HA 0.057 4.377 4.320 0.000 0.000 0.217 439 A C 2.603 180.245 177.584 0.097 0.000 1.181 439 A CA 1.865 53.979 52.037 0.129 0.000 0.623 439 A CB -0.589 18.477 19.000 0.110 0.000 0.818 439 A HN 0.252 nan 8.150 nan 0.000 0.443 440 V N 0.069 120.032 119.914 0.081 0.000 2.307 440 V HA -0.258 3.862 4.120 0.000 0.000 0.245 440 V C 2.533 178.661 176.094 0.056 0.000 1.045 440 V CA 2.186 64.519 62.300 0.055 0.000 1.024 440 V CB -0.804 31.045 31.823 0.043 0.000 0.651 440 V HN 0.734 nan 8.190 nan 0.000 0.449 441 E N 0.534 120.785 120.200 0.085 0.000 2.049 441 E HA -0.290 4.060 4.350 0.000 0.000 0.198 441 E C 2.234 178.863 176.600 0.049 0.000 1.007 441 E CA 1.839 58.293 56.400 0.090 0.000 0.809 441 E CB -0.208 29.592 29.700 0.166 0.000 0.749 441 E HN 0.539 nan 8.360 nan 0.000 0.450 442 A N 0.639 123.513 122.820 0.090 0.000 1.930 442 A HA -0.062 4.258 4.320 0.000 0.000 0.217 442 A C 2.390 179.994 177.584 0.033 0.000 1.175 442 A CA 1.718 53.801 52.037 0.077 0.000 0.627 442 A CB -1.002 18.093 19.000 0.159 0.000 0.815 442 A HN 0.457 nan 8.150 nan 0.000 0.443 443 G N -0.273 108.551 108.800 0.040 0.000 2.433 443 G HA2 -0.206 3.754 3.960 0.000 0.000 0.216 443 G HA3 -0.206 3.754 3.960 0.000 0.000 0.216 443 G C 1.425 176.311 174.900 -0.024 0.000 1.186 443 G CA 0.946 46.058 45.100 0.019 0.000 0.779 443 G HN 0.641 nan 8.290 nan 0.000 0.543 444 E N -0.102 120.079 120.200 -0.032 0.000 2.110 444 E HA -0.109 4.241 4.350 0.000 0.000 0.193 444 E C 2.524 179.048 176.600 -0.127 0.000 0.988 444 E CA 0.525 56.888 56.400 -0.061 0.000 0.804 444 E CB -0.147 29.531 29.700 -0.037 0.000 0.745 444 E HN 0.321 nan 8.360 nan 0.000 0.458 445 R N 1.124 121.512 120.500 -0.186 0.000 2.075 445 R HA -0.106 4.234 4.340 0.000 0.000 0.232 445 R C 2.178 178.307 176.300 -0.286 0.000 1.126 445 R CA 1.345 57.226 56.100 -0.365 0.000 0.963 445 R CB -0.207 29.693 30.300 -0.667 0.000 0.858 445 R HN 0.141 nan 8.270 nan 0.000 0.435 446 A N 0.970 123.695 122.820 -0.158 0.000 1.898 446 A HA -0.051 4.269 4.320 0.000 0.000 0.216 446 A C 2.413 179.899 177.584 -0.164 0.000 1.181 446 A CA 1.615 53.601 52.037 -0.084 0.000 0.620 446 A CB -0.713 18.297 19.000 0.017 0.000 0.819 446 A HN 0.528 nan 8.150 nan 0.000 0.442 447 A N -0.112 122.624 122.820 -0.141 0.000 1.908 447 A HA -0.204 4.116 4.320 0.000 0.000 0.218 447 A C 2.258 179.722 177.584 -0.200 0.000 1.181 447 A CA 1.667 53.610 52.037 -0.157 0.000 0.627 447 A CB -0.471 18.470 19.000 -0.098 0.000 0.818 447 A HN 0.555 nan 8.150 nan 0.000 0.445 448 R N -0.635 119.754 120.500 -0.185 0.000 2.115 448 R HA -0.058 4.282 4.340 0.000 0.000 0.226 448 R C 2.031 178.218 176.300 -0.189 0.000 1.100 448 R CA 1.136 57.134 56.100 -0.170 0.000 0.980 448 R CB -0.255 29.953 30.300 -0.154 0.000 0.875 448 R HN 0.676 nan 8.270 nan 0.000 0.445 449 E N 0.711 120.767 120.200 -0.239 0.000 2.085 449 E HA -0.205 4.145 4.350 0.000 0.000 0.194 449 E C 1.898 178.220 176.600 -0.465 0.000 0.994 449 E CA 1.185 57.444 56.400 -0.234 0.000 0.801 449 E CB -0.081 29.542 29.700 -0.128 0.000 0.743 449 E HN 0.347 nan 8.360 nan 0.000 0.453 450 I N 0.725 120.890 120.570 -0.675 0.000 2.353 450 I HA -0.234 3.936 4.170 0.000 0.000 0.248 450 I C 2.217 178.021 176.117 -0.521 0.000 1.119 450 I CA 0.648 61.438 61.300 -0.849 0.000 1.417 450 I CB -0.079 37.446 38.000 -0.790 0.000 1.078 450 I HN 0.104 nan 8.210 nan 0.000 0.421 451 L N -0.017 121.025 121.223 -0.303 0.000 2.083 451 L HA -0.266 4.074 4.340 0.000 0.000 0.209 451 L C 2.696 179.494 176.870 -0.120 0.000 1.083 451 L CA 1.514 56.248 54.840 -0.177 0.000 0.752 451 L CB -0.825 41.167 42.059 -0.111 0.000 0.899 451 L HN 0.351 nan 8.230 nan 0.000 0.433 452 H N 0.119 119.080 119.070 -0.181 0.000 2.326 452 H HA -0.093 4.463 4.556 0.000 0.000 0.301 452 H C 2.152 177.420 175.328 -0.100 0.000 1.081 452 H CA 1.458 57.441 56.048 -0.108 0.000 1.334 452 H CB 0.042 29.763 29.762 -0.069 0.000 1.385 452 H HN 0.235 nan 8.280 nan 0.000 0.504 453 A N 0.389 123.054 122.820 -0.258 0.000 1.978 453 A HA -0.177 4.143 4.320 0.000 0.000 0.220 453 A C 2.268 179.752 177.584 -0.166 0.000 1.170 453 A CA 1.891 53.789 52.037 -0.231 0.000 0.636 453 A CB -0.666 18.173 19.000 -0.268 0.000 0.810 453 A HN 0.579 nan 8.150 nan 0.000 0.448 454 M N -1.532 117.952 119.600 -0.193 0.000 2.561 454 M HA 0.177 4.657 4.480 0.000 0.000 0.238 454 M C 1.312 177.566 176.300 -0.077 0.000 1.131 454 M CA 0.759 56.014 55.300 -0.075 0.000 1.046 454 M CB 0.299 32.854 32.600 -0.075 0.000 1.532 454 M HN 0.614 nan 8.290 nan 0.000 0.497 455 G N 0.982 109.699 108.800 -0.138 0.000 2.155 455 G HA2 -0.299 3.661 3.960 0.000 0.000 0.257 455 G HA3 -0.299 3.661 3.960 0.000 0.000 0.257 455 G C 0.856 175.721 174.900 -0.057 0.000 0.983 455 G CA 0.640 45.675 45.100 -0.108 0.000 0.676 455 G HN 0.473 nan 8.290 nan 0.000 0.528 456 K N -0.394 119.973 120.400 -0.055 0.000 2.365 456 K HA 0.357 4.677 4.320 0.000 0.000 0.197 456 K C 1.284 177.878 176.600 -0.010 0.000 1.042 456 K CA 1.193 57.462 56.287 -0.031 0.000 0.987 456 K CB 0.221 32.697 32.500 -0.041 0.000 0.779 456 K HN 0.816 nan 8.250 nan 0.000 0.484 457 I N -2.463 118.114 120.570 0.013 0.000 2.994 457 I HA 0.468 4.638 4.170 0.000 0.000 0.306 457 I C -2.989 173.204 176.117 0.127 0.000 1.195 457 I CA -2.972 58.356 61.300 0.048 0.000 1.001 457 I CB 2.299 40.317 38.000 0.030 0.000 1.244 457 I HN -0.267 nan 8.210 nan 0.000 0.437 458 P HA 0.103 nan 4.420 nan 0.000 0.274 458 P C 0.192 177.554 177.300 0.104 0.000 1.237 458 P CA -0.029 63.157 63.100 0.143 0.000 0.793 458 P CB 1.101 32.845 31.700 0.074 0.000 0.977 459 E N 0.750 120.951 120.200 0.001 0.000 2.160 459 E HA -0.264 4.086 4.350 0.000 0.000 0.195 459 E C 1.057 177.599 176.600 -0.097 0.000 0.991 459 E CA 1.438 57.640 56.400 -0.329 0.000 0.810 459 E CB -0.195 29.321 29.700 -0.307 0.000 0.742 459 E HN 0.462 nan 8.360 nan 0.000 0.466 460 D N 0.041 120.434 120.400 -0.011 0.000 2.378 460 D HA -0.122 4.518 4.640 0.000 0.000 0.222 460 D C 1.124 177.451 176.300 0.046 0.000 0.980 460 D CA 0.844 54.861 54.000 0.028 0.000 0.907 460 D CB 0.146 40.963 40.800 0.029 0.000 0.899 460 D HN 0.220 nan 8.370 nan 0.000 0.527 461 E N -0.996 119.220 120.200 0.026 0.000 2.526 461 E HA 0.173 4.523 4.350 0.000 0.000 0.208 461 E C 1.663 178.262 176.600 -0.003 0.000 0.997 461 E CA -0.238 56.176 56.400 0.024 0.000 0.961 461 E CB 0.490 30.200 29.700 0.017 0.000 1.030 461 E HN 0.375 nan 8.360 nan 0.000 0.483 462 I N -0.043 120.516 120.570 -0.019 0.000 2.179 462 I HA -0.181 3.989 4.170 0.000 0.000 0.242 462 I C 0.412 176.395 176.117 -0.223 0.000 1.088 462 I CA 1.205 62.427 61.300 -0.129 0.000 1.357 462 I CB 0.056 37.980 38.000 -0.127 0.000 1.051 462 I HN 0.119 nan 8.210 nan 0.000 0.409 463 W N 2.031 123.329 121.300 -0.003 0.000 2.283 463 W HA 0.460 5.120 4.660 -0.000 0.000 0.317 463 W C -0.231 176.295 176.519 0.010 0.000 1.042 463 W CA -0.303 57.051 57.345 0.014 0.000 1.348 463 W CB 0.525 29.994 29.460 0.015 0.000 1.216 463 W HN -0.028 nan 8.180 nan 0.000 0.404 464 Q N 2.112 122.014 119.800 0.171 0.000 2.333 464 Q HA 0.364 4.704 4.340 0.000 0.000 0.267 464 Q C 0.260 176.332 176.000 0.120 0.000 1.012 464 Q CA -0.697 55.175 55.803 0.115 0.000 0.824 464 Q CB 2.062 30.832 28.738 0.054 0.000 1.290 464 Q HN 0.495 nan 8.270 nan 0.000 0.449 465 S N 1.394 117.152 115.700 0.097 0.000 2.593 465 S HA 0.240 4.710 4.470 0.000 0.000 0.269 465 S C -0.152 174.489 174.600 0.068 0.000 1.334 465 S CA -0.635 57.613 58.200 0.080 0.000 1.015 465 S CB 1.251 64.482 63.200 0.051 0.000 0.912 465 S HN 0.583 nan 8.310 nan 0.000 0.541 466 E N 1.319 121.563 120.200 0.073 0.000 2.158 466 E HA 0.554 4.904 4.350 0.000 0.000 0.271 466 E C -2.657 173.974 176.600 0.051 0.000 0.911 466 E CA -2.240 54.199 56.400 0.064 0.000 0.767 466 E CB 0.756 30.504 29.700 0.080 0.000 1.120 466 E HN 0.523 nan 8.360 nan 0.000 0.405 467 P HA 0.018 nan 4.420 nan 0.000 0.266 467 P C -0.726 176.595 177.300 0.034 0.000 1.195 467 P CA -0.037 63.082 63.100 0.031 0.000 0.768 467 P CB 0.467 32.182 31.700 0.024 0.000 0.838 468 E N 1.691 121.909 120.200 0.031 0.000 2.384 468 E HA 0.074 4.424 4.350 0.000 0.000 0.266 468 E C -0.139 176.475 176.600 0.023 0.000 1.012 468 E CA -0.317 56.101 56.400 0.031 0.000 0.901 468 E CB 0.421 30.137 29.700 0.027 0.000 0.967 468 E HN 0.367 nan 8.360 nan 0.000 0.435 469 S N 2.943 118.654 115.700 0.019 0.000 2.546 469 S HA -0.053 4.417 4.470 0.000 0.000 0.290 469 S C 1.134 175.741 174.600 0.011 0.000 1.290 469 S CA -0.051 58.157 58.200 0.013 0.000 1.069 469 S CB 0.693 63.897 63.200 0.005 0.000 0.846 469 S HN 0.526 nan 8.310 nan 0.000 0.495 470 V N 1.989 121.911 119.914 0.012 0.000 3.129 470 V HA 0.097 4.217 4.120 0.000 0.000 0.259 470 V C 1.354 177.453 176.094 0.010 0.000 1.116 470 V CA 1.282 63.589 62.300 0.011 0.000 1.127 470 V CB -0.453 31.377 31.823 0.011 0.000 0.742 470 V HN 0.790 nan 8.190 nan 0.000 0.474 471 D N 1.120 121.526 120.400 0.010 0.000 2.240 471 D HA 0.110 4.750 4.640 0.000 0.000 0.206 471 D C 0.752 177.052 176.300 0.001 0.000 0.963 471 D CA 1.080 55.086 54.000 0.010 0.000 0.863 471 D CB 0.825 41.636 40.800 0.018 0.000 0.973 471 D HN 0.518 nan 8.370 nan 0.000 0.501 472 V N 3.790 123.699 119.914 -0.007 0.000 2.313 472 V HA 0.219 4.339 4.120 0.000 0.000 0.262 472 V C -2.411 173.675 176.094 -0.014 0.000 1.011 472 V CA -1.343 60.944 62.300 -0.021 0.000 0.858 472 V CB 1.242 33.036 31.823 -0.047 0.000 1.104 472 V HN -0.045 nan 8.190 nan 0.000 0.456 473 P HA 0.409 nan 4.420 nan 0.000 0.278 473 P C -0.391 176.911 177.300 0.004 0.000 1.238 473 P CA -0.031 63.071 63.100 0.002 0.000 0.794 473 P CB 1.712 33.414 31.700 0.004 0.000 0.955 474 A N 3.446 126.274 122.820 0.013 0.000 2.276 474 A HA 0.291 4.611 4.320 0.000 0.000 0.300 474 A C 0.379 177.973 177.584 0.016 0.000 1.235 474 A CA -0.530 51.519 52.037 0.020 0.000 0.867 474 A CB 0.106 19.131 19.000 0.040 0.000 1.137 474 A HN 0.456 nan 8.150 nan 0.000 0.527 475 Q N 2.856 122.664 119.800 0.013 0.000 2.327 475 Q HA 0.299 4.639 4.340 0.000 0.000 0.254 475 Q C -2.227 173.781 176.000 0.013 0.000 0.952 475 Q CA -1.555 54.254 55.803 0.010 0.000 0.884 475 Q CB 0.779 29.521 28.738 0.006 0.000 1.224 475 Q HN 0.577 nan 8.270 nan 0.000 0.422 476 P HA 0.173 nan 4.420 nan 0.000 0.274 476 P C -0.362 176.942 177.300 0.007 0.000 1.237 476 P CA -0.404 62.700 63.100 0.006 0.000 0.793 476 P CB 0.758 32.459 31.700 0.002 0.000 0.977 477 I N 2.182 122.752 120.570 -0.000 0.000 2.337 477 I HA 0.148 4.318 4.170 0.000 0.000 0.291 477 I C 1.126 177.241 176.117 -0.003 0.000 1.046 477 I CA 0.175 61.475 61.300 0.000 0.000 1.324 477 I CB -0.222 37.768 38.000 -0.017 0.000 1.409 477 I HN 0.391 nan 8.210 nan 0.000 0.494 478 T N 2.113 116.673 114.554 0.010 0.000 2.888 478 T HA 0.749 5.099 4.350 0.000 0.000 0.284 478 T C 0.147 174.854 174.700 0.012 0.000 1.017 478 T CA -0.729 61.377 62.100 0.010 0.000 1.022 478 T CB 2.048 70.927 68.868 0.020 0.000 1.013 478 T HN 0.623 nan 8.240 nan 0.000 0.465 479 T N -0.952 113.605 114.554 0.005 0.000 2.932 479 T HA 0.732 5.082 4.350 0.000 0.000 0.289 479 T C 0.294 175.015 174.700 0.036 0.000 1.039 479 T CA -0.702 61.401 62.100 0.005 0.000 1.024 479 T CB 1.358 70.204 68.868 -0.037 0.000 1.090 479 T HN 0.978 nan 8.240 nan 0.000 0.496 480 T N -0.256 114.330 114.554 0.052 0.000 2.927 480 T HA 0.435 4.785 4.350 0.000 0.000 0.281 480 T C 0.819 175.598 174.700 0.133 0.000 0.998 480 T CA -0.872 61.290 62.100 0.104 0.000 1.019 480 T CB 0.822 69.756 68.868 0.111 0.000 1.061 480 T HN 0.511 nan 8.240 nan 0.000 0.518 481 F N 0.805 120.790 119.950 0.059 0.000 2.091 481 F HA -0.059 4.468 4.527 0.000 0.000 0.299 481 F C 1.968 177.848 175.800 0.132 0.000 1.103 481 F CA 1.517 59.589 58.000 0.119 0.000 1.228 481 F CB -0.587 38.484 39.000 0.118 0.000 0.984 481 F HN 0.521 nan 8.300 nan 0.000 0.477 482 L N -0.183 121.131 121.223 0.152 0.000 2.083 482 L HA -0.220 4.120 4.340 0.000 0.000 0.209 482 L C 2.370 179.237 176.870 -0.006 0.000 1.083 482 L CA 1.674 56.549 54.840 0.058 0.000 0.752 482 L CB -0.732 41.411 42.059 0.139 0.000 0.899 482 L HN 0.185 nan 8.230 nan 0.000 0.433 483 E N -0.283 119.922 120.200 0.009 0.000 2.110 483 E HA -0.216 4.134 4.350 0.000 0.000 0.193 483 E C 2.365 178.875 176.600 -0.150 0.000 0.988 483 E CA 0.984 57.364 56.400 -0.032 0.000 0.804 483 E CB 0.018 29.713 29.700 -0.007 0.000 0.745 483 E HN 0.354 nan 8.360 nan 0.000 0.458 484 R N -0.471 119.870 120.500 -0.265 0.000 2.073 484 R HA -0.051 4.289 4.340 0.000 0.000 0.229 484 R C 1.706 177.623 176.300 -0.639 0.000 1.120 484 R CA 1.083 56.881 56.100 -0.504 0.000 0.967 484 R CB 0.086 29.948 30.300 -0.731 0.000 0.862 484 R HN 0.304 nan 8.270 nan 0.000 0.436 485 H N -1.001 117.881 119.070 -0.313 0.000 2.827 485 H HA 0.193 4.749 4.556 0.000 0.000 0.269 485 H C 0.334 175.542 175.328 -0.200 0.000 1.031 485 H CA -0.204 55.654 56.048 -0.317 0.000 1.202 485 H CB 0.464 29.890 29.762 -0.558 0.000 1.511 485 H HN 0.042 nan 8.280 nan 0.000 0.517 486 L N 4.428 125.611 121.223 -0.067 0.000 2.514 486 L HA 0.037 4.377 4.340 0.000 0.000 0.280 486 L C -1.674 175.172 176.870 -0.040 0.000 1.223 486 L CA -1.303 53.527 54.840 -0.016 0.000 0.864 486 L CB 0.338 42.425 42.059 0.047 0.000 1.118 486 L HN -0.006 nan 8.230 nan 0.000 0.494 487 P HA 0.125 nan 4.420 nan 0.000 0.276 487 P C -0.621 176.624 177.300 -0.092 0.000 1.244 487 P CA -0.602 62.460 63.100 -0.064 0.000 0.801 487 P CB 1.137 32.801 31.700 -0.061 0.000 1.006 488 S N 0.349 115.973 115.700 -0.127 0.000 2.606 488 S HA 0.050 4.520 4.470 0.000 0.000 0.257 488 S C 1.504 175.953 174.600 -0.252 0.000 1.327 488 S CA -0.449 57.643 58.200 -0.180 0.000 0.984 488 S CB -0.417 62.666 63.200 -0.195 0.000 0.941 488 S HN 0.220 nan 8.310 nan 0.000 0.576 489 V N 2.309 122.002 119.914 -0.369 0.000 2.261 489 V HA -0.059 4.061 4.120 0.000 0.000 0.246 489 V C -0.459 175.210 176.094 -0.708 0.000 1.047 489 V CA 1.902 63.907 62.300 -0.493 0.000 1.015 489 V CB -1.824 29.715 31.823 -0.475 0.000 0.642 489 V HN 0.813 nan 8.190 nan 0.000 0.446 490 P HA -0.077 nan 4.420 nan 0.000 0.221 490 P C 1.709 178.801 177.300 -0.348 0.000 1.150 490 P CA 1.793 64.435 63.100 -0.763 0.000 0.800 490 P CB -0.249 31.077 31.700 -0.623 0.000 0.787 491 G N 0.668 109.302 108.800 -0.277 0.000 2.422 491 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 491 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 491 G C 1.484 176.304 174.900 -0.133 0.000 1.146 491 G CA 0.477 45.481 45.100 -0.160 0.000 0.769 491 G HN 0.243 nan 8.290 nan 0.000 0.547 492 L N 0.410 121.538 121.223 -0.157 0.000 2.056 492 L HA 0.160 4.500 4.340 0.000 0.000 0.207 492 L C 2.645 179.454 176.870 -0.102 0.000 1.078 492 L CA 1.259 56.033 54.840 -0.110 0.000 0.749 492 L CB -0.342 41.655 42.059 -0.103 0.000 0.901 492 L HN 0.191 nan 8.230 nan 0.000 0.433 493 L N -0.962 120.172 121.223 -0.148 0.000 2.083 493 L HA -0.175 4.165 4.340 0.000 0.000 0.209 493 L C 2.731 179.561 176.870 -0.067 0.000 1.083 493 L CA 1.116 55.893 54.840 -0.105 0.000 0.752 493 L CB -0.508 41.468 42.059 -0.137 0.000 0.899 493 L HN 0.231 nan 8.230 nan 0.000 0.433 494 R N -0.498 119.955 120.500 -0.078 0.000 2.115 494 R HA -0.126 4.214 4.340 0.000 0.000 0.230 494 R C 2.208 178.487 176.300 -0.034 0.000 1.111 494 R CA 0.924 56.996 56.100 -0.047 0.000 0.976 494 R CB -0.237 30.034 30.300 -0.048 0.000 0.870 494 R HN 0.180 nan 8.270 nan 0.000 0.445 495 L N 0.616 121.814 121.223 -0.041 0.000 2.056 495 L HA -0.123 4.217 4.340 0.000 0.000 0.207 495 L C 2.041 178.899 176.870 -0.020 0.000 1.078 495 L CA 1.532 56.355 54.840 -0.028 0.000 0.749 495 L CB -0.219 41.822 42.059 -0.030 0.000 0.901 495 L HN 0.114 nan 8.230 nan 0.000 0.433 496 I N -1.124 119.432 120.570 -0.023 0.000 2.179 496 I HA -0.226 3.944 4.170 0.000 0.000 0.242 496 I C 2.307 178.420 176.117 -0.007 0.000 1.088 496 I CA 1.527 62.819 61.300 -0.013 0.000 1.357 496 I CB -0.838 37.154 38.000 -0.014 0.000 1.051 496 I HN 0.333 nan 8.210 nan 0.000 0.409 497 G N 0.029 108.824 108.800 -0.008 0.000 2.598 497 G HA2 -0.128 3.832 3.960 0.000 0.000 0.215 497 G HA3 -0.128 3.832 3.960 0.000 0.000 0.215 497 G C 1.524 176.423 174.900 -0.001 0.000 1.131 497 G CA 0.214 45.313 45.100 -0.001 0.000 0.785 497 G HN 0.178 nan 8.290 nan 0.000 0.539 498 L N 0.156 121.376 121.223 -0.005 0.000 2.168 498 L HA 0.156 4.496 4.340 0.000 0.000 0.203 498 L C 2.972 179.840 176.870 -0.002 0.000 1.078 498 L CA 1.548 56.386 54.840 -0.004 0.000 0.780 498 L CB -0.341 41.714 42.059 -0.006 0.000 0.939 498 L HN 0.096 nan 8.230 nan 0.000 0.451 499 T N -1.629 112.924 114.554 -0.003 0.000 2.770 499 T HA -0.120 4.230 4.350 0.000 0.000 0.263 499 T C 1.188 175.888 174.700 0.001 0.000 1.039 499 T CA 1.557 63.657 62.100 -0.001 0.000 1.142 499 T CB -0.519 68.349 68.868 -0.001 0.000 0.868 499 T HN 0.471 nan 8.240 nan 0.000 0.435 500 T N 0.267 114.822 114.554 0.001 0.000 3.820 500 T HA 0.643 4.993 4.350 0.000 0.000 0.224 500 T C 0.000 174.702 174.700 0.003 0.000 0.869 500 T CA -0.294 61.808 62.100 0.003 0.000 0.932 500 T CB -1.568 67.302 68.868 0.004 0.000 1.259 500 T HN 0.408 nan 8.240 nan 0.000 0.676 501 I N 0.000 120.572 120.570 0.003 0.000 2.984 501 I HA 0.000 4.170 4.170 0.000 0.000 0.288 501 I CA 0.000 61.302 61.300 0.003 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