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 2c75_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 SGLMEGAVEA 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 0.000 175.514 175.510 0.006 0.000 1.280 3 N CA 0.000 52.943 53.050 -0.178 0.000 0.885 3 N CB 0.000 38.406 38.487 -0.135 0.000 1.341 4 K N 0.681 121.098 120.400 0.028 0.000 2.185 4 K HA 0.627 4.947 4.320 0.000 0.000 0.269 4 K C -0.718 175.923 176.600 0.067 0.000 0.987 4 K CA -0.627 55.687 56.287 0.045 0.000 0.865 4 K CB 1.865 34.376 32.500 0.018 0.000 1.090 4 K HN 0.563 nan 8.250 nan 0.000 0.450 5 C N -1.046 118.297 119.300 0.072 0.000 3.314 5 C HA 0.397 4.857 4.460 0.000 0.000 0.344 5 C C 0.618 175.643 174.990 0.060 0.000 1.461 5 C CA -0.784 58.276 59.018 0.070 0.000 1.249 5 C CB 0.897 28.690 27.740 0.089 0.000 1.632 5 C HN 0.784 nan 8.230 nan 0.000 0.452 6 D N 0.241 120.679 120.400 0.063 0.000 2.149 6 D HA 0.146 4.786 4.640 0.000 0.000 0.206 6 D C 0.323 176.688 176.300 0.109 0.000 0.967 6 D CA 1.692 55.739 54.000 0.078 0.000 0.848 6 D CB 0.280 41.125 40.800 0.074 0.000 0.998 6 D HN 0.496 nan 8.370 nan 0.000 0.474 7 V N 1.385 121.352 119.914 0.089 0.000 2.686 7 V HA 0.263 4.383 4.120 0.000 0.000 0.306 7 V C -0.167 175.956 176.094 0.049 0.000 1.065 7 V CA -0.849 61.505 62.300 0.090 0.000 0.894 7 V CB 2.791 34.655 31.823 0.068 0.000 1.004 7 V HN -0.247 nan 8.190 nan 0.000 0.424 8 V N 5.184 125.122 119.914 0.039 0.000 2.407 8 V HA 0.395 4.515 4.120 0.000 0.000 0.278 8 V C -0.063 176.021 176.094 -0.016 0.000 1.037 8 V CA -0.393 61.900 62.300 -0.012 0.000 0.900 8 V CB 1.835 33.645 31.823 -0.020 0.000 0.983 8 V HN 0.639 nan 8.190 nan 0.000 0.459 9 V N 6.321 126.210 119.914 -0.041 0.000 2.350 9 V HA 0.311 4.431 4.120 0.000 0.000 0.276 9 V C 0.022 176.087 176.094 -0.048 0.000 1.028 9 V CA -0.569 61.712 62.300 -0.031 0.000 0.860 9 V CB 1.741 33.548 31.823 -0.025 0.000 0.990 9 V HN 0.602 nan 8.190 nan 0.000 0.453 10 V N 4.759 124.659 119.914 -0.025 0.000 2.353 10 V HA 0.777 4.897 4.120 0.000 0.000 0.264 10 V C 0.718 176.813 176.094 0.002 0.000 1.049 10 V CA 0.475 62.761 62.300 -0.023 0.000 0.896 10 V CB 0.367 32.194 31.823 0.007 0.000 1.025 10 V HN 1.255 nan 8.190 nan 0.000 0.475 11 G N 3.653 112.441 108.800 -0.020 0.000 3.367 11 G HA2 0.184 4.144 3.960 0.000 0.000 0.686 11 G HA3 0.184 4.144 3.960 0.000 0.000 0.686 11 G C 0.074 174.973 174.900 -0.002 0.000 1.146 11 G CA -0.510 44.591 45.100 0.002 0.000 0.913 11 G HN 1.186 nan 8.290 nan 0.000 0.554 12 G N 0.779 109.576 108.800 -0.005 0.000 3.959 12 G HA2 0.675 4.635 3.960 0.000 0.000 0.298 12 G HA3 0.675 4.635 3.960 0.000 0.000 0.298 12 G C 0.895 175.807 174.900 0.021 0.000 1.211 12 G CA 0.926 46.024 45.100 -0.004 0.000 1.001 12 G HN 1.289 nan 8.290 nan 0.000 0.561 13 G N -0.132 108.692 108.800 0.040 0.000 2.588 13 G HA2 0.338 4.298 3.960 0.000 0.000 0.278 13 G HA3 0.338 4.298 3.960 0.000 0.000 0.278 13 G C 1.201 176.123 174.900 0.037 0.000 1.307 13 G CA -0.749 44.383 45.100 0.054 0.000 1.016 13 G HN 0.139 nan 8.290 nan 0.000 0.503 14 I N -0.532 120.060 120.570 0.038 0.000 2.208 14 I HA -0.227 3.943 4.170 0.000 0.000 0.245 14 I C 3.015 179.147 176.117 0.026 0.000 1.097 14 I CA 1.661 62.974 61.300 0.021 0.000 1.363 14 I CB -0.115 37.898 38.000 0.022 0.000 1.051 14 I HN 0.481 nan 8.210 nan 0.000 0.413 15 S N 0.535 116.262 115.700 0.046 0.000 2.345 15 S HA -0.124 4.346 4.470 0.000 0.000 0.220 15 S C 2.117 176.738 174.600 0.035 0.000 1.031 15 S CA 1.613 59.844 58.200 0.051 0.000 0.996 15 S CB -0.612 62.637 63.200 0.081 0.000 0.882 15 S HN 0.568 nan 8.310 nan 0.000 0.445 16 G N 1.549 110.370 108.800 0.034 0.000 2.418 16 G HA2 -0.172 3.788 3.960 0.000 0.000 0.217 16 G HA3 -0.172 3.788 3.960 0.000 0.000 0.217 16 G C 1.446 176.346 174.900 -0.001 0.000 1.158 16 G CA 1.009 46.119 45.100 0.017 0.000 0.771 16 G HN 0.403 nan 8.290 nan 0.000 0.545 17 M N 1.167 120.765 119.600 -0.003 0.000 2.132 17 M HA 0.104 4.584 4.480 0.000 0.000 0.263 17 M C 2.996 179.284 176.300 -0.019 0.000 1.065 17 M CA 1.155 56.444 55.300 -0.019 0.000 1.122 17 M CB -1.313 31.273 32.600 -0.024 0.000 1.365 17 M HN 0.310 nan 8.290 nan 0.000 0.411 18 A N 0.290 123.104 122.820 -0.011 0.000 1.902 18 A HA 0.018 4.338 4.320 0.000 0.000 0.217 18 A C 2.457 180.035 177.584 -0.011 0.000 1.181 18 A CA 2.083 54.113 52.037 -0.011 0.000 0.623 18 A CB -0.878 18.120 19.000 -0.003 0.000 0.818 18 A HN 0.464 nan 8.150 nan 0.000 0.443 19 A N -0.095 122.719 122.820 -0.010 0.000 1.877 19 A HA 0.172 4.492 4.320 0.000 0.000 0.216 19 A C 2.526 180.101 177.584 -0.015 0.000 1.186 19 A CA 2.104 54.130 52.037 -0.019 0.000 0.620 19 A CB -1.078 17.912 19.000 -0.017 0.000 0.822 19 A HN 1.057 nan 8.150 nan 0.000 0.443 20 A N -0.202 122.611 122.820 -0.011 0.000 1.902 20 A HA -0.189 4.131 4.320 0.000 0.000 0.217 20 A C 2.148 179.745 177.584 0.021 0.000 1.181 20 A CA 2.086 54.121 52.037 -0.003 0.000 0.623 20 A CB -0.486 18.501 19.000 -0.023 0.000 0.818 20 A HN 0.572 nan 8.150 nan 0.000 0.443 21 K N -0.479 119.924 120.400 0.005 0.000 2.026 21 K HA -0.109 4.211 4.320 0.000 0.000 0.208 21 K C 2.012 178.648 176.600 0.060 0.000 1.048 21 K CA 1.553 57.857 56.287 0.029 0.000 0.929 21 K CB -0.326 32.173 32.500 -0.002 0.000 0.713 21 K HN 0.446 nan 8.250 nan 0.000 0.439 22 L N 1.179 122.414 121.223 0.020 0.000 2.017 22 L HA -0.193 4.147 4.340 0.000 0.000 0.208 22 L C 2.198 179.071 176.870 0.005 0.000 1.073 22 L CA 1.220 56.063 54.840 0.004 0.000 0.745 22 L CB -0.157 41.889 42.059 -0.022 0.000 0.894 22 L HN 0.258 nan 8.230 nan 0.000 0.432 23 L N -1.122 120.105 121.223 0.007 0.000 2.046 23 L HA -0.271 4.069 4.340 0.000 0.000 0.208 23 L C 2.600 179.488 176.870 0.030 0.000 1.077 23 L CA 1.549 56.389 54.840 0.001 0.000 0.747 23 L CB -0.845 41.211 42.059 -0.004 0.000 0.896 23 L HN 0.417 nan 8.230 nan 0.000 0.432 24 H N 0.271 119.326 119.070 -0.025 0.000 2.319 24 H HA -0.201 4.355 4.556 0.000 0.000 0.299 24 H C 1.818 177.136 175.328 -0.017 0.000 1.092 24 H CA 2.070 58.108 56.048 -0.017 0.000 1.302 24 H CB 0.035 29.787 29.762 -0.016 0.000 1.373 24 H HN 0.218 nan 8.280 nan 0.000 0.497 25 D N -0.567 119.836 120.400 0.006 0.000 2.218 25 D HA -0.092 4.548 4.640 0.000 0.000 0.204 25 D C 1.969 178.220 176.300 -0.081 0.000 0.976 25 D CA 1.183 55.154 54.000 -0.047 0.000 0.853 25 D CB -0.223 40.588 40.800 0.018 0.000 0.939 25 D HN 0.331 nan 8.370 nan 0.000 0.481 26 S N -1.121 114.540 115.700 -0.064 0.000 2.561 26 S HA 0.202 4.672 4.470 0.000 0.000 0.225 26 S C 1.613 176.167 174.600 -0.076 0.000 0.977 26 S CA 0.707 58.871 58.200 -0.060 0.000 0.926 26 S CB 0.545 63.716 63.200 -0.048 0.000 0.769 26 S HN 0.467 nan 8.310 nan 0.000 0.533 27 G N 0.732 109.461 108.800 -0.119 0.000 2.163 27 G HA2 -0.182 3.778 3.960 0.000 0.000 0.213 27 G HA3 -0.182 3.778 3.960 0.000 0.000 0.213 27 G C -0.025 174.825 174.900 -0.082 0.000 0.991 27 G CA -0.371 44.657 45.100 -0.120 0.000 0.653 27 G HN 0.406 nan 8.290 nan 0.000 0.518 28 L N 0.732 121.920 121.223 -0.057 0.000 2.418 28 L HA 0.407 4.747 4.340 0.000 0.000 0.265 28 L C 0.134 177.012 176.870 0.012 0.000 1.143 28 L CA -0.980 53.852 54.840 -0.013 0.000 0.809 28 L CB 0.574 42.633 42.059 0.000 0.000 1.124 28 L HN 0.011 nan 8.230 nan 0.000 0.456 29 N N 2.054 120.774 118.700 0.034 0.000 2.406 29 N HA 0.269 5.009 4.740 0.000 0.000 0.251 29 N C -0.638 174.914 175.510 0.069 0.000 1.069 29 N CA -0.107 52.980 53.050 0.061 0.000 0.947 29 N CB 1.541 40.060 38.487 0.052 0.000 1.111 29 N HN 0.360 nan 8.380 nan 0.000 0.497 30 V N 0.220 120.185 119.914 0.085 0.000 2.715 30 V HA 0.742 4.862 4.120 0.000 0.000 0.310 30 V C -0.092 176.023 176.094 0.034 0.000 1.054 30 V CA -0.710 61.624 62.300 0.056 0.000 0.928 30 V CB 1.959 33.813 31.823 0.052 0.000 1.007 30 V HN 0.157 nan 8.190 nan 0.000 0.437 31 V N 3.617 123.531 119.914 0.000 0.000 2.656 31 V HA 0.552 4.672 4.120 0.000 0.000 0.307 31 V C -0.366 175.669 176.094 -0.097 0.000 1.051 31 V CA -0.547 61.723 62.300 -0.049 0.000 0.893 31 V CB 2.106 33.888 31.823 -0.069 0.000 0.999 31 V HN 0.840 nan 8.190 nan 0.000 0.426 32 V N 5.933 125.781 119.914 -0.109 0.000 2.370 32 V HA 0.450 4.570 4.120 0.000 0.000 0.283 32 V C -0.231 175.765 176.094 -0.164 0.000 1.023 32 V CA -0.440 61.792 62.300 -0.112 0.000 0.857 32 V CB 1.497 33.275 31.823 -0.075 0.000 0.985 32 V HN 0.612 nan 8.190 nan 0.000 0.443 33 L N 4.625 125.734 121.223 -0.189 0.000 2.262 33 L HA 0.580 4.920 4.340 0.000 0.000 0.288 33 L C -0.122 176.663 176.870 -0.142 0.000 1.035 33 L CA -0.332 54.378 54.840 -0.216 0.000 0.820 33 L CB 1.296 43.186 42.059 -0.281 0.000 1.204 33 L HN 0.625 nan 8.230 nan 0.000 0.424 34 E N 2.411 122.534 120.200 -0.129 0.000 2.158 34 E HA 0.472 4.822 4.350 0.000 0.000 0.271 34 E C 0.412 176.910 176.600 -0.171 0.000 0.911 34 E CA -0.306 56.022 56.400 -0.119 0.000 0.767 34 E CB 2.039 31.692 29.700 -0.079 0.000 1.120 34 E HN 0.549 nan 8.360 nan 0.000 0.405 35 A N 5.481 128.137 122.820 -0.272 0.000 1.902 35 A HA -0.070 4.250 4.320 0.000 0.000 0.217 35 A C 1.063 178.422 177.584 -0.375 0.000 1.181 35 A CA 1.099 52.838 52.037 -0.497 0.000 0.623 35 A CB -0.208 18.107 19.000 -1.143 0.000 0.818 35 A HN 0.612 nan 8.150 nan 0.000 0.443 36 R N -0.236 120.125 120.500 -0.232 0.000 2.541 36 R HA 0.259 4.599 4.340 0.000 0.000 0.263 36 R C 0.152 176.416 176.300 -0.060 0.000 1.112 36 R CA 0.099 56.137 56.100 -0.102 0.000 1.170 36 R CB 0.178 30.458 30.300 -0.033 0.000 1.167 36 R HN 0.448 nan 8.270 nan 0.000 0.582 37 D N 0.416 120.800 120.400 -0.028 0.000 2.324 37 D HA -0.046 4.594 4.640 0.000 0.000 0.235 37 D C -0.115 176.188 176.300 0.005 0.000 1.095 37 D CA 0.152 54.146 54.000 -0.011 0.000 0.871 37 D CB -0.059 40.741 40.800 -0.001 0.000 0.906 37 D HN 0.431 nan 8.370 nan 0.000 0.522 38 R N -1.251 119.254 120.500 0.008 0.000 2.710 38 R HA 0.570 4.910 4.340 0.000 0.000 0.270 38 R C -0.713 175.608 176.300 0.035 0.000 1.021 38 R CA -1.119 55.004 56.100 0.038 0.000 0.889 38 R CB 1.205 31.552 30.300 0.079 0.000 1.243 38 R HN -0.095 nan 8.270 nan 0.000 0.464 39 V N -1.329 118.612 119.914 0.046 0.000 3.134 39 V HA 0.860 4.980 4.120 0.000 0.000 0.313 39 V C 0.931 177.079 176.094 0.089 0.000 1.069 39 V CA 0.469 62.796 62.300 0.045 0.000 1.048 39 V CB 0.817 32.651 31.823 0.018 0.000 1.119 39 V HN 1.196 nan 8.190 nan 0.000 0.461 40 G N -0.687 108.164 108.800 0.086 0.000 2.391 40 G HA2 0.151 4.111 3.960 0.000 0.000 0.204 40 G HA3 0.151 4.111 3.960 0.000 0.000 0.204 40 G C 1.590 176.577 174.900 0.145 0.000 1.012 40 G CA 0.744 45.914 45.100 0.118 0.000 0.651 40 G HN 2.590 nan 8.290 nan 0.000 0.494 41 G N 0.633 109.533 108.800 0.165 0.000 2.646 41 G HA2 -0.420 3.540 3.960 0.000 0.000 0.324 41 G HA3 -0.420 3.540 3.960 0.000 0.000 0.324 41 G C 0.985 176.047 174.900 0.270 0.000 1.195 41 G CA 1.532 46.749 45.100 0.195 0.000 0.976 41 G HN 1.164 nan 8.290 nan 0.000 0.546 42 R N 1.854 122.418 120.500 0.108 0.000 2.323 42 R HA 0.206 4.546 4.340 0.000 0.000 0.198 42 R C 1.075 177.265 176.300 -0.183 0.000 0.988 42 R CA 1.080 57.060 56.100 -0.199 0.000 1.041 42 R CB -0.188 29.984 30.300 -0.213 0.000 0.926 42 R HN 0.710 nan 8.270 nan 0.000 0.476 43 T N -2.468 112.136 114.554 0.084 0.000 2.859 43 T HA 0.373 4.723 4.350 0.000 0.000 0.281 43 T C -0.957 173.972 174.700 0.381 0.000 1.005 43 T CA -0.642 61.560 62.100 0.169 0.000 1.025 43 T CB 1.617 70.548 68.868 0.106 0.000 0.977 43 T HN 0.101 nan 8.240 nan 0.000 0.458 44 Y N 1.177 121.628 120.300 0.251 0.000 2.313 44 Y HA 0.423 4.973 4.550 0.000 0.000 0.320 44 Y C -1.201 174.814 175.900 0.192 0.000 1.171 44 Y CA -0.816 57.431 58.100 0.246 0.000 1.093 44 Y CB 1.594 40.262 38.460 0.347 0.000 1.224 44 Y HN 0.876 nan 8.280 nan 0.000 0.421 45 T N 7.852 122.238 114.554 -0.280 0.000 2.801 45 T HA 0.363 4.713 4.350 0.000 0.000 0.306 45 T C -0.722 173.648 174.700 -0.549 0.000 1.020 45 T CA -0.398 61.533 62.100 -0.281 0.000 0.948 45 T CB 0.428 69.243 68.868 -0.088 0.000 0.962 45 T HN 0.576 nan 8.240 nan 0.000 0.465 46 L N 4.451 125.350 121.223 -0.539 0.000 2.380 46 L HA 0.554 4.894 4.340 0.000 0.000 0.273 46 L C -0.138 176.652 176.870 -0.132 0.000 1.138 46 L CA 0.089 54.706 54.840 -0.371 0.000 0.832 46 L CB 0.323 42.265 42.059 -0.194 0.000 1.124 46 L HN 0.449 nan 8.230 nan 0.000 0.454 47 R N 3.548 123.997 120.500 -0.085 0.000 2.480 47 R HA 0.622 4.962 4.340 0.000 0.000 0.306 47 R C -1.081 175.194 176.300 -0.040 0.000 0.958 47 R CA -0.566 55.510 56.100 -0.040 0.000 0.861 47 R CB 1.318 31.606 30.300 -0.020 0.000 1.171 47 R HN 0.894 nan 8.270 nan 0.000 0.445 48 N N -0.427 118.232 118.700 -0.067 0.000 3.020 48 N HA 0.063 4.803 4.740 0.000 0.000 0.248 48 N C 0.002 175.451 175.510 -0.102 0.000 1.480 48 N CA -0.964 52.045 53.050 -0.069 0.000 0.874 48 N CB 0.695 39.146 38.487 -0.060 0.000 1.433 48 N HN 0.288 nan 8.380 nan 0.000 0.530 49 Q N 0.070 119.820 119.800 -0.083 0.000 2.167 49 Q HA 0.062 4.402 4.340 0.000 0.000 0.202 49 Q C 0.763 176.717 176.000 -0.076 0.000 0.970 49 Q CA 1.706 57.475 55.803 -0.057 0.000 0.855 49 Q CB 0.019 28.736 28.738 -0.036 0.000 0.911 49 Q HN 0.547 nan 8.270 nan 0.000 0.438 50 K N -0.215 120.047 120.400 -0.230 0.000 2.155 50 K HA -0.012 4.308 4.320 0.000 0.000 0.203 50 K C 1.836 178.216 176.600 -0.368 0.000 1.052 50 K CA 1.435 57.478 56.287 -0.407 0.000 0.948 50 K CB 0.098 31.999 32.500 -0.997 0.000 0.728 50 K HN 0.400 nan 8.250 nan 0.000 0.448 51 V N -3.016 116.653 119.914 -0.409 0.000 3.645 51 V HA 0.232 4.352 4.120 0.000 0.000 0.275 51 V C 1.384 177.066 176.094 -0.687 0.000 1.356 51 V CA 0.535 62.542 62.300 -0.488 0.000 1.051 51 V CB 0.214 31.786 31.823 -0.418 0.000 0.828 51 V HN 0.242 nan 8.190 nan 0.000 0.441 52 K N 0.587 120.667 120.400 -0.534 0.000 11.134 52 K HA -0.306 4.014 4.320 0.000 0.000 0.527 52 K C 0.158 176.650 176.600 -0.181 0.000 0.391 52 K CA 2.556 58.581 56.287 -0.437 0.000 1.928 52 K CB -1.441 30.595 32.500 -0.773 0.000 0.781 52 K HN 0.935 nan 8.250 nan 0.000 1.243 53 Y N -1.894 118.250 120.300 -0.261 0.000 2.562 53 Y HA 0.747 5.297 4.550 0.000 0.000 0.345 53 Y C -1.177 174.672 175.900 -0.085 0.000 1.045 53 Y CA -0.778 57.233 58.100 -0.149 0.000 1.028 53 Y CB 2.117 40.509 38.460 -0.112 0.000 1.297 53 Y HN 0.008 nan 8.280 nan 0.000 0.463 54 V N 2.245 122.210 119.914 0.084 0.000 2.817 54 V HA 0.337 4.457 4.120 0.000 0.000 0.303 54 V C -1.632 174.520 176.094 0.095 0.000 1.151 54 V CA -0.655 61.697 62.300 0.088 0.000 0.929 54 V CB 1.914 33.809 31.823 0.120 0.000 1.030 54 V HN 0.928 nan 8.190 nan 0.000 0.427 55 D N 5.691 126.161 120.400 0.118 0.000 2.339 55 D HA 0.289 4.929 4.640 0.000 0.000 0.256 55 D C 0.831 177.215 176.300 0.140 0.000 1.214 55 D CA 0.240 54.298 54.000 0.097 0.000 0.877 55 D CB 1.848 42.676 40.800 0.047 0.000 1.111 55 D HN 0.521 nan 8.370 nan 0.000 0.478 56 L N 1.468 122.834 121.223 0.238 0.000 2.585 56 L HA 0.226 4.566 4.340 0.000 0.000 0.226 56 L C 1.494 178.762 176.870 0.663 0.000 1.113 56 L CA 0.023 55.103 54.840 0.401 0.000 0.876 56 L CB 0.389 42.706 42.059 0.430 0.000 1.072 56 L HN 0.337 nan 8.230 nan 0.000 0.468 57 G N -0.749 108.355 108.800 0.507 0.000 3.247 57 G HA2 0.424 4.384 3.960 0.000 0.000 0.163 57 G HA3 0.424 4.384 3.960 0.000 0.000 0.163 57 G C -0.153 174.774 174.900 0.045 0.000 1.206 57 G CA -0.058 45.163 45.100 0.202 0.000 0.918 57 G HN 0.072 nan 8.290 nan 0.000 0.625 58 G N -0.681 108.078 108.800 -0.068 0.000 2.321 58 G HA2 0.362 4.322 3.960 0.000 0.000 0.237 58 G HA3 0.362 4.322 3.960 0.000 0.000 0.237 58 G C 0.540 175.410 174.900 -0.050 0.000 1.282 58 G CA 0.942 46.008 45.100 -0.058 0.000 0.886 58 G HN 0.843 nan 8.290 nan 0.000 0.528 59 S N 1.294 116.899 115.700 -0.158 0.000 3.330 59 S HA 0.187 4.657 4.470 0.000 0.000 0.259 59 S C 0.107 174.438 174.600 -0.448 0.000 1.095 59 S CA -0.332 57.669 58.200 -0.330 0.000 0.841 59 S CB 0.007 62.854 63.200 -0.587 0.000 0.890 59 S HN 0.492 nan 8.310 nan 0.000 0.446 60 Y N 2.929 123.159 120.300 -0.116 0.000 2.319 60 Y HA 0.517 5.067 4.550 0.000 0.000 0.328 60 Y C 0.320 176.040 175.900 -0.301 0.000 1.133 60 Y CA -0.393 57.582 58.100 -0.209 0.000 1.265 60 Y CB 1.104 39.475 38.460 -0.147 0.000 1.218 60 Y HN 0.128 nan 8.280 nan 0.000 0.508 61 V N -0.101 119.656 119.914 -0.262 0.000 3.102 61 V HA 1.107 5.227 4.120 0.000 0.000 0.312 61 V C -0.248 175.641 176.094 -0.342 0.000 1.135 61 V CA -0.525 61.550 62.300 -0.376 0.000 1.022 61 V CB 1.703 33.230 31.823 -0.492 0.000 1.056 61 V HN 0.933 nan 8.190 nan 0.000 0.436 62 G N 0.170 108.737 108.800 -0.389 0.000 2.548 62 G HA2 0.701 4.661 3.960 0.000 0.000 0.301 62 G HA3 0.701 4.661 3.960 0.000 0.000 0.301 62 G C -3.448 171.308 174.900 -0.239 0.000 1.349 62 G CA -1.087 43.846 45.100 -0.278 0.000 0.792 62 G HN 0.716 nan 8.290 nan 0.000 0.481 63 P HA 0.127 nan 4.420 nan 0.000 0.265 63 P C 0.786 178.096 177.300 0.017 0.000 1.187 63 P CA 1.978 65.052 63.100 -0.043 0.000 0.766 63 P CB 0.856 32.555 31.700 -0.001 0.000 0.820 64 T N -1.551 113.042 114.554 0.065 0.000 6.412 64 T HA -0.250 4.100 4.350 0.000 0.000 0.279 64 T C 0.210 174.979 174.700 0.115 0.000 2.177 64 T CA 1.021 63.244 62.100 0.206 0.000 3.599 64 T CB -2.719 66.404 68.868 0.426 0.000 1.259 64 T HN 0.592 nan 8.240 nan 0.000 1.146 65 Q N 1.153 120.841 119.800 -0.188 0.000 3.135 65 Q HA 0.385 4.725 4.340 0.000 0.000 0.344 65 Q C 0.863 176.778 176.000 -0.141 0.000 1.321 65 Q CA -0.514 55.071 55.803 -0.363 0.000 1.050 65 Q CB 0.280 28.610 28.738 -0.678 0.000 1.498 65 Q HN 0.476 nan 8.270 nan 0.000 0.503 66 N N 0.763 119.453 118.700 -0.018 0.000 2.409 66 N HA -0.057 4.683 4.740 0.000 0.000 0.179 66 N C 1.228 176.751 175.510 0.021 0.000 1.032 66 N CA 0.766 53.825 53.050 0.015 0.000 0.898 66 N CB 0.297 38.817 38.487 0.056 0.000 0.971 66 N HN 0.376 nan 8.380 nan 0.000 0.441 67 R N 0.511 121.026 120.500 0.025 0.000 2.062 67 R HA 0.019 4.359 4.340 0.000 0.000 0.229 67 R C 2.053 178.365 176.300 0.019 0.000 1.128 67 R CA 0.694 56.812 56.100 0.031 0.000 0.960 67 R CB -0.377 29.953 30.300 0.050 0.000 0.855 67 R HN 0.082 nan 8.270 nan 0.000 0.432 68 I N 1.334 121.909 120.570 0.008 0.000 2.286 68 I HA -0.212 3.958 4.170 0.000 0.000 0.248 68 I C 1.843 178.021 176.117 0.101 0.000 1.115 68 I CA 1.417 62.743 61.300 0.043 0.000 1.392 68 I CB -0.079 37.950 38.000 0.048 0.000 1.065 68 I HN 0.103 nan 8.210 nan 0.000 0.418 69 L N 0.164 121.432 121.223 0.076 0.000 2.046 69 L HA -0.181 4.159 4.340 0.000 0.000 0.208 69 L C 2.752 179.665 176.870 0.072 0.000 1.077 69 L CA 1.362 56.265 54.840 0.104 0.000 0.747 69 L CB -0.854 41.223 42.059 0.029 0.000 0.896 69 L HN 0.269 nan 8.230 nan 0.000 0.432 70 R N 0.733 121.256 120.500 0.038 0.000 2.066 70 R HA -0.176 4.164 4.340 0.000 0.000 0.232 70 R C 2.303 178.608 176.300 0.008 0.000 1.131 70 R CA 1.606 57.720 56.100 0.023 0.000 0.955 70 R CB -0.636 29.677 30.300 0.021 0.000 0.851 70 R HN 0.244 nan 8.270 nan 0.000 0.432 71 L N 1.253 122.475 121.223 -0.001 0.000 2.012 71 L HA -0.077 4.263 4.340 0.000 0.000 0.210 71 L C 2.429 179.259 176.870 -0.067 0.000 1.073 71 L CA 2.379 57.201 54.840 -0.029 0.000 0.748 71 L CB -0.911 41.128 42.059 -0.032 0.000 0.891 71 L HN 0.250 nan 8.230 nan 0.000 0.431 72 A N -0.749 122.017 122.820 -0.091 0.000 1.902 72 A HA -0.258 4.062 4.320 0.000 0.000 0.217 72 A C 2.464 179.988 177.584 -0.099 0.000 1.181 72 A CA 1.946 53.860 52.037 -0.205 0.000 0.623 72 A CB -0.628 18.140 19.000 -0.387 0.000 0.818 72 A HN 0.520 nan 8.150 nan 0.000 0.443 73 K N -0.290 120.102 120.400 -0.013 0.000 2.057 73 K HA -0.201 4.119 4.320 0.000 0.000 0.207 73 K C 2.077 178.667 176.600 -0.016 0.000 1.049 73 K CA 1.652 57.942 56.287 0.005 0.000 0.931 73 K CB -0.187 32.329 32.500 0.026 0.000 0.714 73 K HN 0.616 nan 8.250 nan 0.000 0.440 74 E N 0.501 120.689 120.200 -0.021 0.000 2.160 74 E HA -0.179 4.171 4.350 0.000 0.000 0.195 74 E C 1.663 178.242 176.600 -0.035 0.000 0.991 74 E CA 0.962 57.349 56.400 -0.021 0.000 0.810 74 E CB 0.005 29.695 29.700 -0.018 0.000 0.742 74 E HN 0.352 nan 8.360 nan 0.000 0.466 75 L N -0.666 120.522 121.223 -0.059 0.000 2.610 75 L HA 0.134 4.474 4.340 0.000 0.000 0.232 75 L C 1.389 178.216 176.870 -0.071 0.000 1.149 75 L CA 0.484 55.280 54.840 -0.074 0.000 0.872 75 L CB 0.135 42.128 42.059 -0.110 0.000 0.992 75 L HN 0.392 nan 8.230 nan 0.000 0.447 76 G N 0.105 108.872 108.800 -0.055 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 0.077 174.951 174.900 -0.044 0.000 0.990 76 G CA -0.340 44.736 45.100 -0.040 0.000 0.671 76 G HN 0.192 nan 8.290 nan 0.000 0.521 77 L N -0.178 121.007 121.223 -0.063 0.000 2.399 77 L HA 0.751 5.091 4.340 0.000 0.000 0.265 77 L C 0.627 177.530 176.870 0.054 0.000 1.089 77 L CA -0.735 54.075 54.840 -0.051 0.000 0.802 77 L CB 1.099 43.036 42.059 -0.203 0.000 1.180 77 L HN 0.188 nan 8.230 nan 0.000 0.454 78 E N -0.287 119.987 120.200 0.125 0.000 2.336 78 E HA 0.456 4.806 4.350 0.000 0.000 0.267 78 E C -1.029 175.723 176.600 0.253 0.000 0.906 78 E CA -0.707 55.789 56.400 0.160 0.000 0.781 78 E CB 2.492 32.257 29.700 0.108 0.000 1.261 78 E HN 0.663 nan 8.360 nan 0.000 0.436 79 T N -1.393 113.256 114.554 0.160 0.000 2.952 79 T HA 0.641 4.991 4.350 0.000 0.000 0.286 79 T C -0.743 174.034 174.700 0.129 0.000 1.024 79 T CA -0.682 61.444 62.100 0.044 0.000 1.029 79 T CB 0.728 69.500 68.868 -0.160 0.000 1.094 79 T HN 0.533 nan 8.240 nan 0.000 0.515 80 Y N -1.499 118.790 120.300 -0.019 0.000 2.609 80 Y HA 0.736 5.286 4.550 0.000 0.000 0.342 80 Y C -0.823 175.073 175.900 -0.007 0.000 1.058 80 Y CA -1.547 56.556 58.100 0.005 0.000 1.055 80 Y CB 1.387 39.872 38.460 0.041 0.000 1.292 80 Y HN 0.629 nan 8.280 nan 0.000 0.476 81 K N 2.241 122.683 120.400 0.070 0.000 2.234 81 K HA 0.440 4.760 4.320 0.000 0.000 0.282 81 K C -0.800 175.819 176.600 0.032 0.000 1.039 81 K CA -0.761 55.514 56.287 -0.021 0.000 0.928 81 K CB 1.611 34.132 32.500 0.035 0.000 1.039 81 K HN 0.575 nan 8.250 nan 0.000 0.470 82 V N 3.188 123.061 119.914 -0.067 0.000 2.763 82 V HA -0.113 4.007 4.120 0.000 0.000 0.306 82 V C 0.565 176.700 176.094 0.069 0.000 1.059 82 V CA -0.140 62.182 62.300 0.035 0.000 1.138 82 V CB 0.350 32.179 31.823 0.011 0.000 0.940 82 V HN 0.733 nan 8.190 nan 0.000 0.489 83 N N 3.619 122.387 118.700 0.113 0.000 2.438 83 N HA 0.031 4.771 4.740 0.000 0.000 0.267 83 N C 0.225 175.757 175.510 0.037 0.000 1.222 83 N CA 0.459 53.563 53.050 0.091 0.000 0.930 83 N CB 0.297 38.864 38.487 0.132 0.000 1.083 83 N HN 0.816 nan 8.380 nan 0.000 0.476 84 E N 2.919 123.130 120.200 0.018 0.000 3.191 84 E HA 0.120 4.470 4.350 0.000 0.000 0.192 84 E C 0.321 176.917 176.600 -0.006 0.000 0.972 84 E CA -0.069 56.323 56.400 -0.013 0.000 1.266 84 E CB 0.274 29.954 29.700 -0.034 0.000 1.076 84 E HN 0.447 nan 8.360 nan 0.000 0.462 85 V N 0.475 120.397 119.914 0.014 0.000 2.323 85 V HA -0.150 3.970 4.120 0.000 0.000 0.244 85 V C 0.942 177.039 176.094 0.006 0.000 1.041 85 V CA 1.575 63.882 62.300 0.011 0.000 1.025 85 V CB -0.126 31.706 31.823 0.015 0.000 0.656 85 V HN 0.252 nan 8.190 nan 0.000 0.451 86 E N -0.688 119.521 120.200 0.016 0.000 3.099 86 E HA 0.401 4.751 4.350 0.000 0.000 0.259 86 E C 0.194 176.798 176.600 0.007 0.000 1.274 86 E CA -0.651 55.761 56.400 0.019 0.000 1.111 86 E CB 0.253 29.977 29.700 0.040 0.000 1.327 86 E HN 0.294 nan 8.360 nan 0.000 0.652 87 R N 0.188 120.712 120.500 0.040 0.000 2.539 87 R HA 0.293 4.633 4.340 0.000 0.000 0.275 87 R C -0.480 175.771 176.300 -0.082 0.000 1.077 87 R CA -0.565 55.534 56.100 -0.001 0.000 1.097 87 R CB 0.142 30.505 30.300 0.105 0.000 1.018 87 R HN 0.175 nan 8.270 nan 0.000 0.483 88 L N 2.449 123.439 121.223 -0.388 0.000 2.456 88 L HA 0.392 4.732 4.340 0.000 0.000 0.257 88 L C 0.191 176.813 176.870 -0.413 0.000 1.162 88 L CA 0.141 54.642 54.840 -0.565 0.000 0.808 88 L CB 0.500 41.895 42.059 -1.107 0.000 1.136 88 L HN 0.461 nan 8.230 nan 0.000 0.466 89 I N 0.200 120.676 120.570 -0.156 0.000 2.498 89 I HA 0.272 4.442 4.170 0.000 0.000 0.290 89 I C -0.637 175.765 176.117 0.476 0.000 1.032 89 I CA -0.488 60.884 61.300 0.121 0.000 1.073 89 I CB 1.580 39.504 38.000 -0.125 0.000 1.251 89 I HN 0.544 nan 8.210 nan 0.000 0.426 90 H N 5.402 124.798 119.070 0.544 0.000 2.541 90 H HA 0.315 4.871 4.556 0.000 0.000 0.316 90 H C -1.306 174.267 175.328 0.408 0.000 1.043 90 H CA -0.713 55.595 56.048 0.433 0.000 1.232 90 H CB 0.929 30.866 29.762 0.291 0.000 1.406 90 H HN 0.613 nan 8.280 nan 0.000 0.469 91 H N 4.827 124.008 119.070 0.184 0.000 2.597 91 H HA 0.365 4.921 4.556 0.000 0.000 0.303 91 H C -1.378 173.934 175.328 -0.026 0.000 1.057 91 H CA -0.455 55.639 56.048 0.076 0.000 1.261 91 H CB 0.483 30.294 29.762 0.082 0.000 1.397 91 H HN 0.273 nan 8.280 nan 0.000 0.461 92 V N 6.038 125.812 119.914 -0.234 0.000 2.588 92 V HA 0.193 4.313 4.120 0.000 0.000 0.304 92 V C 0.008 176.030 176.094 -0.119 0.000 1.042 92 V CA -1.268 60.924 62.300 -0.179 0.000 0.877 92 V CB 1.701 33.378 31.823 -0.243 0.000 0.996 92 V HN 0.946 nan 8.190 nan 0.000 0.425 93 K N 3.399 123.762 120.400 -0.062 0.000 3.156 93 K HA -0.251 4.069 4.320 0.000 0.000 0.266 93 K C 1.101 177.655 176.600 -0.077 0.000 0.966 93 K CA 0.769 57.039 56.287 -0.028 0.000 0.719 93 K CB -1.347 31.156 32.500 0.006 0.000 1.333 93 K HN 1.709 nan 8.250 nan 0.000 0.468 94 G N -0.275 108.428 108.800 -0.162 0.000 2.162 94 G HA2 -0.339 3.621 3.960 0.000 0.000 0.260 94 G HA3 -0.339 3.621 3.960 0.000 0.000 0.260 94 G C -0.110 174.607 174.900 -0.305 0.000 0.976 94 G CA 1.015 46.045 45.100 -0.117 0.000 0.655 94 G HN 0.393 nan 8.290 nan 0.000 0.533 95 K N 0.060 120.116 120.400 -0.574 0.000 2.371 95 K HA 0.610 4.930 4.320 0.000 0.000 0.251 95 K C -0.626 175.632 176.600 -0.570 0.000 0.934 95 K CA -0.598 55.419 56.287 -0.449 0.000 0.798 95 K CB 1.953 34.248 32.500 -0.341 0.000 1.204 95 K HN 0.072 nan 8.250 nan 0.000 0.427 96 S N 1.517 117.023 115.700 -0.323 0.000 2.508 96 S HA 0.407 4.877 4.470 0.000 0.000 0.284 96 S C -1.229 173.152 174.600 -0.366 0.000 1.192 96 S CA -0.509 57.622 58.200 -0.115 0.000 1.070 96 S CB 0.241 63.483 63.200 0.070 0.000 1.004 96 S HN 0.354 nan 8.310 nan 0.000 0.493 97 Y N 2.338 122.726 120.300 0.148 0.000 2.426 97 Y HA 0.354 4.904 4.550 0.000 0.000 0.325 97 Y C -2.507 173.597 175.900 0.341 0.000 0.989 97 Y CA -2.395 55.832 58.100 0.211 0.000 1.284 97 Y CB 0.814 39.387 38.460 0.188 0.000 1.104 97 Y HN 0.453 nan 8.280 nan 0.000 0.481 98 P HA 0.243 nan 4.420 nan 0.000 0.271 98 P C -0.779 176.813 177.300 0.487 0.000 1.218 98 P CA 0.066 63.396 63.100 0.383 0.000 0.780 98 P CB 0.638 32.555 31.700 0.361 0.000 0.901 99 F N -1.144 118.931 119.950 0.209 0.000 2.877 99 F HA 0.705 5.232 4.527 0.000 0.000 0.319 99 F C -1.290 174.589 175.800 0.132 0.000 1.174 99 F CA -1.283 56.824 58.000 0.179 0.000 0.903 99 F CB 1.368 40.478 39.000 0.184 0.000 1.357 99 F HN 0.045 nan 8.300 nan 0.000 0.472 100 R N 0.666 121.315 120.500 0.248 0.000 2.795 100 R HA 0.741 5.081 4.340 0.000 0.000 0.275 100 R C -0.594 175.864 176.300 0.263 0.000 0.981 100 R CA -0.772 55.384 56.100 0.093 0.000 0.917 100 R CB 1.919 32.269 30.300 0.083 0.000 1.202 100 R HN 1.549 nan 8.270 nan 0.000 0.469 101 G N 1.715 110.602 108.800 0.146 0.000 2.663 101 G HA2 -0.152 3.808 3.960 0.000 0.000 0.686 101 G HA3 -0.152 3.808 3.960 0.000 0.000 0.686 101 G C -2.090 172.930 174.900 0.199 0.000 1.288 101 G CA -0.850 44.350 45.100 0.166 0.000 0.836 101 G HN 0.433 nan 8.290 nan 0.000 0.584 102 P HA 0.047 nan 4.420 nan 0.000 0.218 102 P C 0.564 177.715 177.300 -0.248 0.000 1.149 102 P CA 1.175 64.187 63.100 -0.147 0.000 0.817 102 P CB 0.066 31.554 31.700 -0.354 0.000 0.785 103 F N 0.624 120.566 119.950 -0.015 0.000 2.443 103 F HA 0.432 4.959 4.527 0.000 0.000 0.335 103 F C -2.036 173.525 175.800 -0.398 0.000 1.104 103 F CA -3.022 54.856 58.000 -0.204 0.000 1.013 103 F CB 0.708 39.517 39.000 -0.319 0.000 1.136 103 F HN -0.296 nan 8.300 nan 0.000 0.470 104 P HA 0.091 nan 4.420 nan 0.000 0.267 104 P C -2.409 174.622 177.300 -0.449 0.000 1.209 104 P CA -0.862 61.524 63.100 -1.190 0.000 0.763 104 P CB -0.165 30.974 31.700 -0.936 0.000 0.816 105 P HA 0.091 nan 4.420 nan 0.000 0.272 105 P C -0.883 176.310 177.300 -0.179 0.000 1.223 105 P CA 0.050 63.038 63.100 -0.188 0.000 0.784 105 P CB 0.853 32.474 31.700 -0.131 0.000 0.923 106 V N 3.295 123.080 119.914 -0.215 0.000 2.638 106 V HA 0.329 4.449 4.120 0.000 0.000 0.306 106 V C -0.329 175.684 176.094 -0.135 0.000 1.052 106 V CA -0.484 61.721 62.300 -0.158 0.000 0.885 106 V CB 1.646 33.267 31.823 -0.336 0.000 0.999 106 V HN 0.577 nan 8.190 nan 0.000 0.424 107 W N 2.816 124.098 121.300 -0.030 0.000 2.640 107 W HA 0.286 4.946 4.660 0.000 0.000 0.271 107 W C 1.334 177.841 176.519 -0.019 0.000 1.218 107 W CA 0.064 57.393 57.345 -0.028 0.000 1.382 107 W CB 0.138 29.580 29.460 -0.031 0.000 1.067 107 W HN 0.578 nan 8.180 nan 0.000 0.590 108 N N 2.112 120.936 118.700 0.206 0.000 2.411 108 N HA -0.053 4.687 4.740 0.000 0.000 0.265 108 N C -1.757 173.827 175.510 0.123 0.000 1.266 108 N CA -0.396 52.734 53.050 0.135 0.000 0.889 108 N CB 1.275 39.821 38.487 0.098 0.000 1.069 108 N HN -0.128 nan 8.380 nan 0.000 0.476 109 P HA -0.154 nan 4.420 nan 0.000 0.216 109 P C 1.526 178.899 177.300 0.121 0.000 1.153 109 P CA 0.922 64.071 63.100 0.082 0.000 0.858 109 P CB 0.305 32.032 31.700 0.044 0.000 0.789 110 I N -0.924 119.703 120.570 0.094 0.000 2.202 110 I HA -0.156 4.014 4.170 0.000 0.000 0.242 110 I C 2.013 178.196 176.117 0.109 0.000 1.091 110 I CA 1.888 63.238 61.300 0.084 0.000 1.368 110 I CB -2.075 35.967 38.000 0.070 0.000 1.058 110 I HN 0.016 nan 8.210 nan 0.000 0.410 111 T N 0.430 115.057 114.554 0.122 0.000 2.746 111 T HA -0.244 4.106 4.350 0.000 0.000 0.267 111 T C 1.882 176.670 174.700 0.146 0.000 1.039 111 T CA 1.434 63.623 62.100 0.148 0.000 1.142 111 T CB -0.633 68.296 68.868 0.101 0.000 0.866 111 T HN 0.300 nan 8.240 nan 0.000 0.444 112 Y N 1.902 122.196 120.300 -0.010 0.000 2.128 112 Y HA -0.134 4.416 4.550 0.000 0.000 0.284 112 Y C 2.060 177.969 175.900 0.014 0.000 1.154 112 Y CA 1.212 59.286 58.100 -0.042 0.000 1.149 112 Y CB -0.526 37.886 38.460 -0.081 0.000 0.976 112 Y HN 0.103 nan 8.280 nan 0.000 0.505 113 L N -0.135 121.168 121.223 0.133 0.000 2.042 113 L HA -0.252 4.088 4.340 0.000 0.000 0.210 113 L C 2.187 179.031 176.870 -0.045 0.000 1.076 113 L CA 1.837 56.694 54.840 0.029 0.000 0.749 113 L CB -0.660 41.426 42.059 0.044 0.000 0.893 113 L HN 0.264 nan 8.230 nan 0.000 0.432 114 D N -0.959 119.451 120.400 0.016 0.000 2.097 114 D HA -0.188 4.452 4.640 0.000 0.000 0.197 114 D C 2.186 178.483 176.300 -0.005 0.000 0.984 114 D CA 1.233 55.248 54.000 0.024 0.000 0.826 114 D CB 0.032 40.884 40.800 0.086 0.000 0.973 114 D HN 0.298 nan 8.370 nan 0.000 0.460 115 H N -0.569 118.429 119.070 -0.119 0.000 2.319 115 H HA -0.129 4.427 4.556 0.000 0.000 0.299 115 H C 1.989 177.253 175.328 -0.106 0.000 1.092 115 H CA 1.461 57.443 56.048 -0.109 0.000 1.302 115 H CB -0.150 29.565 29.762 -0.079 0.000 1.373 115 H HN 0.184 nan 8.280 nan 0.000 0.497 116 N N 0.974 119.577 118.700 -0.161 0.000 2.069 116 N HA -0.173 4.567 4.740 0.000 0.000 0.191 116 N C 1.774 177.203 175.510 -0.134 0.000 1.031 116 N CA 1.383 54.290 53.050 -0.237 0.000 0.852 116 N CB -0.297 37.935 38.487 -0.426 0.000 1.018 116 N HN 0.283 nan 8.380 nan 0.000 0.423 117 N N -0.890 117.741 118.700 -0.116 0.000 2.166 117 N HA -0.197 4.543 4.740 0.000 0.000 0.186 117 N C 1.732 177.174 175.510 -0.112 0.000 1.019 117 N CA 0.969 53.958 53.050 -0.102 0.000 0.856 117 N CB -0.281 38.159 38.487 -0.077 0.000 0.993 117 N HN 0.315 nan 8.380 nan 0.000 0.426 118 F N 0.790 120.576 119.950 -0.272 0.000 2.046 118 F HA -0.143 4.384 4.527 0.000 0.000 0.297 118 F C 1.790 177.362 175.800 -0.380 0.000 1.123 118 F CA 1.731 59.491 58.000 -0.401 0.000 1.199 118 F CB -0.973 37.634 39.000 -0.654 0.000 0.972 118 F HN 0.071 nan 8.300 nan 0.000 0.474 119 W N 0.618 121.597 121.300 -0.535 0.000 2.358 119 W HA -0.102 4.558 4.660 0.000 0.000 0.303 119 W C 2.837 179.070 176.519 -0.476 0.000 1.208 119 W CA 1.443 58.408 57.345 -0.633 0.000 1.274 119 W CB -0.672 28.508 29.460 -0.467 0.000 1.138 119 W HN -0.045 nan 8.180 nan 0.000 0.515 120 R N 0.158 120.569 120.500 -0.149 0.000 2.083 120 R HA -0.162 4.178 4.340 0.000 0.000 0.237 120 R C 1.933 178.118 176.300 -0.191 0.000 1.137 120 R CA 2.265 58.267 56.100 -0.162 0.000 0.951 120 R CB -0.695 29.511 30.300 -0.157 0.000 0.851 120 R HN 0.043 nan 8.270 nan 0.000 0.434 121 T N 1.219 115.633 114.554 -0.232 0.000 2.821 121 T HA -0.099 4.251 4.350 0.000 0.000 0.267 121 T C 1.830 176.371 174.700 -0.266 0.000 1.046 121 T CA 1.261 63.231 62.100 -0.216 0.000 1.139 121 T CB -0.039 68.718 68.868 -0.185 0.000 0.871 121 T HN 0.170 nan 8.240 nan 0.000 0.454 122 M N 1.628 120.996 119.600 -0.386 0.000 2.082 122 M HA -0.115 4.365 4.480 0.000 0.000 0.258 122 M C 1.810 177.984 176.300 -0.211 0.000 1.069 122 M CA 1.543 56.643 55.300 -0.333 0.000 1.102 122 M CB -1.038 31.307 32.600 -0.425 0.000 1.336 122 M HN 0.186 nan 8.290 nan 0.000 0.404 123 D N 0.325 120.617 120.400 -0.179 0.000 2.149 123 D HA -0.109 4.531 4.640 0.000 0.000 0.201 123 D C 1.606 177.837 176.300 -0.114 0.000 0.972 123 D CA 0.934 54.854 54.000 -0.134 0.000 0.835 123 D CB -0.264 40.467 40.800 -0.115 0.000 0.966 123 D HN 0.279 nan 8.370 nan 0.000 0.476 124 D N 0.469 120.799 120.400 -0.117 0.000 2.092 124 D HA -0.126 4.514 4.640 0.000 0.000 0.193 124 D C 2.222 178.502 176.300 -0.033 0.000 0.994 124 D CA 0.856 54.811 54.000 -0.075 0.000 0.828 124 D CB -0.258 40.495 40.800 -0.078 0.000 0.963 124 D HN 0.229 nan 8.370 nan 0.000 0.450 125 M N 0.225 119.774 119.600 -0.085 0.000 2.117 125 M HA -0.068 4.412 4.480 0.000 0.000 0.262 125 M C 2.365 178.689 176.300 0.040 0.000 1.065 125 M CA 1.671 56.924 55.300 -0.077 0.000 1.114 125 M CB -0.556 31.736 32.600 -0.514 0.000 1.361 125 M HN 0.041 nan 8.290 nan 0.000 0.408 126 G N 0.443 109.211 108.800 -0.054 0.000 2.469 126 G HA2 -0.240 3.720 3.960 0.000 0.000 0.219 126 G HA3 -0.240 3.720 3.960 0.000 0.000 0.219 126 G C 1.615 176.509 174.900 -0.010 0.000 1.150 126 G CA 0.820 45.895 45.100 -0.042 0.000 0.763 126 G HN 0.419 nan 8.290 nan 0.000 0.561 127 R N 0.122 120.612 120.500 -0.018 0.000 2.193 127 R HA -0.014 4.326 4.340 0.000 0.000 0.229 127 R C 1.880 178.185 176.300 0.009 0.000 1.110 127 R CA 0.892 56.978 56.100 -0.024 0.000 0.988 127 R CB 0.009 30.288 30.300 -0.034 0.000 0.871 127 R HN 0.274 nan 8.270 nan 0.000 0.458 128 E N 0.283 120.530 120.200 0.079 0.000 2.502 128 E HA 0.056 4.406 4.350 0.000 0.000 0.194 128 E C 0.145 176.775 176.600 0.051 0.000 1.062 128 E CA 0.442 56.888 56.400 0.076 0.000 0.867 128 E CB 0.312 30.102 29.700 0.150 0.000 0.888 128 E HN 0.335 nan 8.360 nan 0.000 0.510 129 I N 2.733 123.348 120.570 0.074 0.000 2.328 129 I HA 0.195 4.365 4.170 0.000 0.000 0.287 129 I C -2.395 173.721 176.117 -0.003 0.000 1.012 129 I CA -2.365 58.973 61.300 0.064 0.000 1.195 129 I CB 1.439 39.543 38.000 0.173 0.000 1.350 129 I HN -0.338 nan 8.210 nan 0.000 0.464 130 P HA 0.107 nan 4.420 nan 0.000 0.267 130 P C 0.486 177.749 177.300 -0.063 0.000 1.205 130 P CA 0.178 63.202 63.100 -0.126 0.000 0.765 130 P CB 0.885 32.452 31.700 -0.221 0.000 0.828 131 S N 2.131 117.811 115.700 -0.033 0.000 2.383 131 S HA -0.166 4.304 4.470 0.000 0.000 0.229 131 S C 1.264 175.956 174.600 0.154 0.000 1.030 131 S CA 1.805 60.065 58.200 0.101 0.000 1.002 131 S CB -0.587 62.577 63.200 -0.059 0.000 0.829 131 S HN 0.677 nan 8.310 nan 0.000 0.467 132 D N 0.512 120.852 120.400 -0.099 0.000 2.340 132 D HA 0.266 4.906 4.640 0.000 0.000 0.220 132 D C 0.305 176.367 176.300 -0.398 0.000 1.039 132 D CA 0.360 54.252 54.000 -0.180 0.000 0.866 132 D CB 0.059 40.686 40.800 -0.289 0.000 0.913 132 D HN 0.279 nan 8.370 nan 0.000 0.523 133 A N 1.015 123.437 122.820 -0.663 0.000 3.411 133 A HA 0.340 4.660 4.320 0.000 0.000 0.238 133 A C -2.120 174.648 177.584 -1.360 0.000 1.140 133 A CA -0.747 50.401 52.037 -1.481 0.000 0.980 133 A CB 0.766 19.187 19.000 -0.964 0.000 1.371 133 A HN -0.097 nan 8.150 nan 0.000 0.700 134 P HA -0.189 nan 4.420 nan 0.000 0.218 134 P C 1.290 178.396 177.300 -0.324 0.000 1.148 134 P CA 1.586 64.385 63.100 -0.501 0.000 0.822 134 P CB -0.360 31.022 31.700 -0.530 0.000 0.784 135 W N 0.998 122.220 121.300 -0.129 0.000 2.538 135 W HA 0.067 4.727 4.660 0.000 0.000 0.254 135 W C 1.313 177.783 176.519 -0.081 0.000 1.249 135 W CA 0.458 57.748 57.345 -0.092 0.000 1.253 135 W CB -1.488 27.914 29.460 -0.098 0.000 1.130 135 W HN -0.092 nan 8.180 nan 0.000 0.618 136 K N 0.811 121.021 120.400 -0.317 0.000 2.404 136 K HA 0.306 4.626 4.320 0.000 0.000 0.194 136 K C 1.052 177.556 176.600 -0.159 0.000 1.023 136 K CA 0.205 56.382 56.287 -0.184 0.000 1.094 136 K CB -0.046 32.302 32.500 -0.253 0.000 0.841 136 K HN 0.102 nan 8.250 nan 0.000 0.523 137 A N 2.394 125.117 122.820 -0.161 0.000 2.531 137 A HA 0.065 4.385 4.320 0.000 0.000 0.236 137 A C -1.618 175.827 177.584 -0.232 0.000 1.062 137 A CA -0.941 50.992 52.037 -0.173 0.000 0.760 137 A CB 0.070 18.985 19.000 -0.142 0.000 0.995 137 A HN -0.010 nan 8.150 nan 0.000 0.501 138 P HA -0.127 nan 4.420 nan 0.000 0.216 138 P C 0.480 177.577 177.300 -0.338 0.000 1.150 138 P CA 1.236 64.189 63.100 -0.245 0.000 0.843 138 P CB 0.050 31.624 31.700 -0.210 0.000 0.787 139 L N -2.185 118.668 121.223 -0.617 0.000 2.984 139 L HA 0.357 4.697 4.340 0.000 0.000 0.246 139 L C 1.803 178.246 176.870 -0.712 0.000 1.268 139 L CA -0.339 54.041 54.840 -0.767 0.000 1.054 139 L CB -0.439 40.896 42.059 -1.206 0.000 1.393 139 L HN -0.102 nan 8.230 nan 0.000 0.532 140 A N 0.469 123.065 122.820 -0.373 0.000 1.892 140 A HA -0.218 4.102 4.320 0.000 0.000 0.218 140 A C 2.184 179.761 177.584 -0.012 0.000 1.188 140 A CA 1.757 53.720 52.037 -0.123 0.000 0.631 140 A CB -0.154 18.829 19.000 -0.028 0.000 0.822 140 A HN 0.515 nan 8.150 nan 0.000 0.447 141 E N -0.926 119.252 120.200 -0.036 0.000 2.047 141 E HA -0.221 4.129 4.350 0.000 0.000 0.191 141 E C 2.136 178.769 176.600 0.056 0.000 0.987 141 E CA 1.193 57.606 56.400 0.022 0.000 0.799 141 E CB -0.241 29.460 29.700 0.000 0.000 0.752 141 E HN 0.823 nan 8.360 nan 0.000 0.449 142 E N 0.176 120.379 120.200 0.006 0.000 2.070 142 E HA -0.212 4.138 4.350 0.000 0.000 0.197 142 E C 1.769 178.537 176.600 0.279 0.000 1.004 142 E CA 1.359 57.812 56.400 0.088 0.000 0.805 142 E CB -0.022 29.691 29.700 0.021 0.000 0.744 142 E HN 0.285 nan 8.360 nan 0.000 0.451 143 W N 0.877 122.218 121.300 0.069 0.000 2.436 143 W HA -0.033 4.627 4.660 0.000 0.000 0.284 143 W C 1.959 178.548 176.519 0.117 0.000 1.225 143 W CA 0.698 58.097 57.345 0.090 0.000 1.271 143 W CB -1.017 28.496 29.460 0.089 0.000 1.114 143 W HN 0.222 nan 8.180 nan 0.000 0.559 144 D N -0.325 120.274 120.400 0.331 0.000 2.269 144 D HA -0.119 4.521 4.640 0.000 0.000 0.208 144 D C 1.302 177.729 176.300 0.212 0.000 0.963 144 D CA 0.907 55.066 54.000 0.266 0.000 0.864 144 D CB -0.215 40.715 40.800 0.217 0.000 0.936 144 D HN -0.102 nan 8.370 nan 0.000 0.505 145 N N -0.589 118.220 118.700 0.183 0.000 2.398 145 N HA 0.102 4.842 4.740 0.000 0.000 0.188 145 N C -0.140 175.450 175.510 0.133 0.000 1.122 145 N CA 0.179 53.312 53.050 0.139 0.000 0.866 145 N CB 0.274 38.826 38.487 0.108 0.000 0.970 145 N HN 0.303 nan 8.380 nan 0.000 0.462 146 M N 0.068 119.763 119.600 0.159 0.000 2.456 146 M HA 0.209 4.689 4.480 0.000 0.000 0.324 146 M C 0.126 176.506 176.300 0.133 0.000 1.124 146 M CA -0.607 54.772 55.300 0.131 0.000 0.959 146 M CB 2.040 34.722 32.600 0.137 0.000 1.692 146 M HN -0.026 nan 8.290 nan 0.000 0.444 147 T N -0.399 114.214 114.554 0.099 0.000 2.816 147 T HA 0.230 4.580 4.350 0.000 0.000 0.282 147 T C 1.182 175.916 174.700 0.057 0.000 0.993 147 T CA -0.828 61.326 62.100 0.090 0.000 0.994 147 T CB 0.839 69.751 68.868 0.073 0.000 1.025 147 T HN 0.618 nan 8.240 nan 0.000 0.529 148 M N 0.294 119.910 119.600 0.026 0.000 2.202 148 M HA -0.035 4.445 4.480 0.000 0.000 0.262 148 M C 2.187 178.449 176.300 -0.063 0.000 1.063 148 M CA 1.572 56.845 55.300 -0.046 0.000 1.097 148 M CB -1.302 31.183 32.600 -0.193 0.000 1.382 148 M HN 0.864 nan 8.290 nan 0.000 0.413 149 K N 0.555 120.929 120.400 -0.045 0.000 2.026 149 K HA -0.186 4.134 4.320 0.000 0.000 0.208 149 K C 1.709 178.289 176.600 -0.034 0.000 1.048 149 K CA 1.596 57.861 56.287 -0.036 0.000 0.929 149 K CB 0.040 32.551 32.500 0.018 0.000 0.713 149 K HN 0.392 nan 8.250 nan 0.000 0.439 150 E N 0.546 120.741 120.200 -0.008 0.000 2.077 150 E HA -0.219 4.131 4.350 0.000 0.000 0.193 150 E C 2.030 178.619 176.600 -0.019 0.000 0.989 150 E CA 1.095 57.489 56.400 -0.009 0.000 0.800 150 E CB -0.129 29.581 29.700 0.018 0.000 0.746 150 E HN 0.189 nan 8.360 nan 0.000 0.452 151 L N 1.138 122.353 121.223 -0.014 0.000 2.017 151 L HA -0.164 4.176 4.340 0.000 0.000 0.208 151 L C 2.069 178.921 176.870 -0.029 0.000 1.073 151 L CA 1.551 56.378 54.840 -0.023 0.000 0.745 151 L CB -0.359 41.681 42.059 -0.032 0.000 0.894 151 L HN 0.121 nan 8.230 nan 0.000 0.432 152 L N -0.783 120.410 121.223 -0.050 0.000 2.046 152 L HA -0.224 4.116 4.340 0.000 0.000 0.208 152 L C 2.264 179.063 176.870 -0.118 0.000 1.077 152 L CA 1.373 56.153 54.840 -0.100 0.000 0.747 152 L CB -0.995 40.964 42.059 -0.168 0.000 0.896 152 L HN 0.285 nan 8.230 nan 0.000 0.432 153 D N 0.393 120.730 120.400 -0.105 0.000 2.149 153 D HA -0.167 4.473 4.640 0.000 0.000 0.198 153 D C 2.217 178.429 176.300 -0.145 0.000 0.990 153 D CA 1.261 55.186 54.000 -0.125 0.000 0.839 153 D CB -0.015 40.725 40.800 -0.101 0.000 0.948 153 D HN 0.310 nan 8.370 nan 0.000 0.460 154 K N -0.169 120.176 120.400 -0.092 0.000 2.062 154 K HA 0.005 4.325 4.320 0.000 0.000 0.205 154 K C 1.996 178.582 176.600 -0.023 0.000 1.051 154 K CA 0.332 56.577 56.287 -0.070 0.000 0.941 154 K CB 0.170 32.663 32.500 -0.012 0.000 0.719 154 K HN 0.078 nan 8.250 nan 0.000 0.440 155 L N 0.683 121.913 121.223 0.011 0.000 2.162 155 L HA -0.001 4.339 4.340 0.000 0.000 0.205 155 L C 0.506 177.471 176.870 0.158 0.000 1.086 155 L CA 0.746 55.648 54.840 0.104 0.000 0.778 155 L CB -0.077 42.038 42.059 0.094 0.000 0.928 155 L HN 0.188 nan 8.230 nan 0.000 0.446 156 C N -0.480 118.824 119.300 0.006 0.000 2.303 156 C HA 0.119 4.579 4.460 0.000 0.000 0.341 156 C C 0.983 175.977 174.990 0.008 0.000 1.244 156 C CA -0.946 58.059 59.018 -0.022 0.000 1.765 156 C CB -0.878 26.734 27.740 -0.214 0.000 2.379 156 C HN 0.475 nan 8.230 nan 0.000 0.530 157 W N 1.881 123.133 121.300 -0.080 0.000 3.290 157 W HA 0.140 4.800 4.660 0.000 0.000 0.287 157 W C 1.381 177.875 176.519 -0.042 0.000 1.288 157 W CA 0.077 57.392 57.345 -0.049 0.000 1.725 157 W CB -0.103 29.340 29.460 -0.029 0.000 1.103 157 W HN 0.683 nan 8.180 nan 0.000 0.670 158 T N -3.675 110.948 114.554 0.115 0.000 2.887 158 T HA 0.297 4.647 4.350 0.000 0.000 0.288 158 T C 0.834 175.524 174.700 -0.016 0.000 1.021 158 T CA -0.633 61.504 62.100 0.062 0.000 1.000 158 T CB 2.610 71.537 68.868 0.100 0.000 1.034 158 T HN -0.226 nan 8.240 nan 0.000 0.467 159 E N 1.120 121.315 120.200 -0.008 0.000 2.110 159 E HA -0.113 4.237 4.350 0.000 0.000 0.193 159 E C 2.144 178.730 176.600 -0.023 0.000 0.988 159 E CA 1.304 57.685 56.400 -0.031 0.000 0.804 159 E CB -0.397 29.295 29.700 -0.013 0.000 0.745 159 E HN 0.746 nan 8.360 nan 0.000 0.458 160 S N 0.564 116.287 115.700 0.038 0.000 2.359 160 S HA -0.184 4.286 4.470 0.000 0.000 0.224 160 S C 2.089 176.706 174.600 0.028 0.000 1.035 160 S CA 1.616 59.889 58.200 0.123 0.000 1.018 160 S CB -0.093 63.252 63.200 0.243 0.000 0.876 160 S HN 0.292 nan 8.310 nan 0.000 0.448 161 A N 1.325 124.031 122.820 -0.190 0.000 1.873 161 A HA -0.059 4.261 4.320 0.000 0.000 0.215 161 A C 2.194 179.416 177.584 -0.603 0.000 1.186 161 A CA 1.807 53.402 52.037 -0.736 0.000 0.616 161 A CB -0.775 17.833 19.000 -0.653 0.000 0.823 161 A HN 0.649 nan 8.150 nan 0.000 0.442 162 K N -0.527 119.644 120.400 -0.382 0.000 2.063 162 K HA -0.223 4.097 4.320 0.000 0.000 0.208 162 K C 2.245 178.687 176.600 -0.263 0.000 1.048 162 K CA 1.809 57.887 56.287 -0.348 0.000 0.928 162 K CB -0.188 32.182 32.500 -0.217 0.000 0.713 162 K HN 0.637 nan 8.250 nan 0.000 0.442 163 Q N 0.217 119.928 119.800 -0.150 0.000 2.079 163 Q HA -0.157 4.183 4.340 0.000 0.000 0.200 163 Q C 2.081 178.069 176.000 -0.021 0.000 0.974 163 Q CA 1.245 57.018 55.803 -0.050 0.000 0.840 163 Q CB -0.061 28.690 28.738 0.022 0.000 0.898 163 Q HN 0.215 nan 8.270 nan 0.000 0.430 164 L N 0.366 121.562 121.223 -0.045 0.000 2.109 164 L HA -0.032 4.308 4.340 0.000 0.000 0.207 164 L C 2.086 178.942 176.870 -0.024 0.000 1.086 164 L CA 1.815 56.686 54.840 0.052 0.000 0.760 164 L CB -0.731 41.409 42.059 0.134 0.000 0.910 164 L HN 0.123 nan 8.230 nan 0.000 0.437 165 A N -1.541 121.039 122.820 -0.400 0.000 1.902 165 A HA -0.201 4.119 4.320 0.000 0.000 0.217 165 A C 2.255 179.771 177.584 -0.112 0.000 1.181 165 A CA 2.277 53.996 52.037 -0.529 0.000 0.623 165 A CB -1.161 17.015 19.000 -1.373 0.000 0.818 165 A HN 0.493 nan 8.150 nan 0.000 0.443 166 T N 0.107 114.577 114.554 -0.140 0.000 2.708 166 T HA -0.126 4.224 4.350 0.000 0.000 0.266 166 T C 1.871 176.577 174.700 0.010 0.000 1.037 166 T CA 1.376 63.429 62.100 -0.078 0.000 1.146 166 T CB -0.411 68.415 68.868 -0.069 0.000 0.865 166 T HN 0.401 nan 8.240 nan 0.000 0.435 167 L N 0.204 121.479 121.223 0.087 0.000 2.012 167 L HA -0.098 4.242 4.340 0.000 0.000 0.210 167 L C 2.246 179.235 176.870 0.198 0.000 1.073 167 L CA 1.597 56.530 54.840 0.154 0.000 0.748 167 L CB -0.417 41.773 42.059 0.218 0.000 0.891 167 L HN 0.211 nan 8.230 nan 0.000 0.431 168 F N -0.208 119.820 119.950 0.130 0.000 2.091 168 F HA -0.268 4.259 4.527 0.000 0.000 0.299 168 F C 2.118 178.023 175.800 0.174 0.000 1.103 168 F CA 2.203 60.337 58.000 0.223 0.000 1.228 168 F CB -0.708 38.551 39.000 0.432 0.000 0.984 168 F HN -0.114 nan 8.300 nan 0.000 0.477 169 V N 1.010 120.870 119.914 -0.089 0.000 2.295 169 V HA -0.360 3.760 4.120 0.000 0.000 0.246 169 V C 2.058 178.009 176.094 -0.237 0.000 1.049 169 V CA 2.455 64.517 62.300 -0.396 0.000 1.024 169 V CB -1.084 30.378 31.823 -0.601 0.000 0.648 169 V HN 0.420 nan 8.190 nan 0.000 0.447 170 N N 0.108 118.720 118.700 -0.146 0.000 2.094 170 N HA -0.228 4.512 4.740 0.000 0.000 0.191 170 N C 1.754 177.202 175.510 -0.104 0.000 1.023 170 N CA 1.405 54.388 53.050 -0.111 0.000 0.857 170 N CB -0.235 38.236 38.487 -0.027 0.000 1.013 170 N HN 0.341 nan 8.380 nan 0.000 0.426 171 L N 0.667 121.856 121.223 -0.058 0.000 2.109 171 L HA -0.014 4.326 4.340 0.000 0.000 0.207 171 L C 2.339 179.187 176.870 -0.036 0.000 1.086 171 L CA 1.339 56.155 54.840 -0.039 0.000 0.760 171 L CB -0.750 41.290 42.059 -0.032 0.000 0.910 171 L HN 0.250 nan 8.230 nan 0.000 0.437 172 C N -1.169 118.066 119.300 -0.108 0.000 2.446 172 C HA -0.014 4.446 4.460 0.000 0.000 0.277 172 C C 2.182 177.187 174.990 0.024 0.000 1.275 172 C CA 1.130 60.125 59.018 -0.039 0.000 1.727 172 C CB -0.530 27.095 27.740 -0.191 0.000 2.010 172 C HN 0.542 nan 8.230 nan 0.000 0.486 173 V N -1.607 118.243 119.914 -0.107 0.000 3.199 173 V HA 0.330 4.450 4.120 0.000 0.000 0.331 173 V C 0.699 176.631 176.094 -0.270 0.000 1.446 173 V CA 0.935 63.142 62.300 -0.155 0.000 1.120 173 V CB -1.221 30.644 31.823 0.070 0.000 1.051 173 V HN 0.603 nan 8.190 nan 0.000 0.495 174 T N -1.481 112.832 114.554 -0.402 0.000 3.760 174 T HA -0.090 4.260 4.350 0.000 0.000 0.366 174 T C 0.143 174.681 174.700 -0.269 0.000 0.761 174 T CA 1.382 63.252 62.100 -0.383 0.000 1.887 174 T CB -2.523 66.008 68.868 -0.561 0.000 1.811 174 T HN 2.452 nan 8.240 nan 0.000 0.749 175 A N -0.282 122.363 122.820 -0.292 0.000 2.594 175 A HA 0.736 5.056 4.320 0.000 0.000 0.291 175 A C -0.415 176.954 177.584 -0.358 0.000 1.105 175 A CA -1.066 50.724 52.037 -0.412 0.000 0.694 175 A CB 1.247 19.786 19.000 -0.768 0.000 1.291 175 A HN 0.352 nan 8.150 nan 0.000 0.410 176 E N 0.470 120.413 120.200 -0.429 0.000 2.349 176 E HA 0.253 4.603 4.350 0.000 0.000 0.265 176 E C 1.222 177.517 176.600 -0.509 0.000 1.064 176 E CA 0.494 56.614 56.400 -0.467 0.000 0.886 176 E CB 0.923 30.173 29.700 -0.750 0.000 1.036 176 E HN 0.804 nan 8.360 nan 0.000 0.413 177 T N -1.303 113.028 114.554 -0.370 0.000 2.788 177 T HA -0.210 4.140 4.350 0.000 0.000 0.268 177 T C 1.458 176.034 174.700 -0.206 0.000 1.044 177 T CA 1.690 63.626 62.100 -0.273 0.000 1.139 177 T CB -0.402 68.358 68.868 -0.181 0.000 0.867 177 T HN 0.625 nan 8.240 nan 0.000 0.454 178 H N 0.645 119.654 119.070 -0.100 0.000 2.555 178 H HA 0.245 4.801 4.556 0.000 0.000 0.269 178 H C 1.497 176.794 175.328 -0.052 0.000 0.988 178 H CA 0.833 56.842 56.048 -0.065 0.000 1.178 178 H CB -0.216 29.509 29.762 -0.062 0.000 1.373 178 H HN 0.507 nan 8.280 nan 0.000 0.588 179 E N 1.331 121.316 120.200 -0.358 0.000 2.230 179 E HA 0.038 4.388 4.350 0.000 0.000 0.192 179 E C 0.804 177.358 176.600 -0.078 0.000 0.987 179 E CA 0.501 56.776 56.400 -0.208 0.000 0.841 179 E CB 0.746 30.173 29.700 -0.455 0.000 0.783 179 E HN 0.369 nan 8.360 nan 0.000 0.481 180 V N -1.180 118.685 119.914 -0.082 0.000 2.667 180 V HA 0.427 4.547 4.120 0.000 0.000 0.308 180 V C -0.020 176.212 176.094 0.231 0.000 1.048 180 V CA -1.176 61.190 62.300 0.110 0.000 0.928 180 V CB 1.856 33.789 31.823 0.182 0.000 1.004 180 V HN -0.037 nan 8.190 nan 0.000 0.444 181 S N 3.111 119.028 115.700 0.361 0.000 2.549 181 S HA 0.450 4.920 4.470 0.000 0.000 0.286 181 S C 1.423 176.276 174.600 0.421 0.000 1.314 181 S CA 0.203 58.627 58.200 0.373 0.000 1.062 181 S CB 0.979 64.439 63.200 0.432 0.000 0.865 181 S HN 1.750 nan 8.310 nan 0.000 0.498 182 A N 4.786 127.784 122.820 0.298 0.000 1.898 182 A HA -0.008 4.312 4.320 0.000 0.000 0.216 182 A C 2.016 179.780 177.584 0.300 0.000 1.181 182 A CA 1.513 53.699 52.037 0.248 0.000 0.620 182 A CB -0.915 18.156 19.000 0.119 0.000 0.819 182 A HN 0.940 nan 8.150 nan 0.000 0.442 183 L N -1.362 120.082 121.223 0.367 0.000 1.989 183 L HA -0.174 4.166 4.340 0.000 0.000 0.211 183 L C 2.230 179.335 176.870 0.391 0.000 1.071 183 L CA 2.604 57.690 54.840 0.411 0.000 0.749 183 L CB -0.850 41.453 42.059 0.405 0.000 0.890 183 L HN 0.663 nan 8.230 nan 0.000 0.431 184 W N -0.642 120.824 121.300 0.277 0.000 2.358 184 W HA -0.282 4.378 4.660 0.000 0.000 0.303 184 W C 2.357 179.137 176.519 0.436 0.000 1.208 184 W CA 1.902 59.429 57.345 0.303 0.000 1.274 184 W CB -0.666 28.954 29.460 0.266 0.000 1.138 184 W HN 0.290 nan 8.180 nan 0.000 0.515 185 F N 0.755 120.766 119.950 0.102 0.000 2.134 185 F HA -0.166 4.361 4.527 0.000 0.000 0.299 185 F C 2.085 177.796 175.800 -0.149 0.000 1.097 185 F CA 2.117 59.979 58.000 -0.230 0.000 1.264 185 F CB -0.662 38.343 39.000 0.009 0.000 1.001 185 F HN -0.171 nan 8.300 nan 0.000 0.479 186 L N -1.319 119.913 121.223 0.016 0.000 2.083 186 L HA -0.213 4.127 4.340 0.000 0.000 0.209 186 L C 2.299 179.091 176.870 -0.130 0.000 1.083 186 L CA 1.629 56.421 54.840 -0.080 0.000 0.752 186 L CB -1.021 41.021 42.059 -0.029 0.000 0.899 186 L HN 0.443 nan 8.230 nan 0.000 0.433 187 W N 0.095 121.263 121.300 -0.219 0.000 2.355 187 W HA -0.311 4.349 4.660 0.000 0.000 0.309 187 W C 2.639 178.935 176.519 -0.371 0.000 1.206 187 W CA 1.583 58.781 57.345 -0.244 0.000 1.284 187 W CB -0.646 28.702 29.460 -0.187 0.000 1.145 187 W HN 0.110 nan 8.180 nan 0.000 0.502 188 Y N 0.668 120.501 120.300 -0.778 0.000 2.128 188 Y HA -0.311 4.239 4.550 0.000 0.000 0.284 188 Y C 2.387 177.711 175.900 -0.961 0.000 1.154 188 Y CA 3.120 60.545 58.100 -1.124 0.000 1.149 188 Y CB -0.842 36.913 38.460 -1.176 0.000 0.976 188 Y HN -0.141 nan 8.280 nan 0.000 0.505 189 V N 1.093 120.580 119.914 -0.712 0.000 2.358 189 V HA -0.290 3.830 4.120 0.000 0.000 0.246 189 V C 2.509 178.275 176.094 -0.547 0.000 1.047 189 V CA 2.236 64.200 62.300 -0.561 0.000 1.035 189 V CB -0.708 30.881 31.823 -0.391 0.000 0.658 189 V HN 0.341 nan 8.190 nan 0.000 0.452 190 K N 1.138 121.234 120.400 -0.507 0.000 2.057 190 K HA -0.257 4.063 4.320 0.000 0.000 0.207 190 K C 2.151 178.422 176.600 -0.548 0.000 1.049 190 K CA 2.279 58.309 56.287 -0.427 0.000 0.931 190 K CB -0.166 32.153 32.500 -0.303 0.000 0.714 190 K HN 0.707 nan 8.250 nan 0.000 0.440 191 Q N -0.699 118.623 119.800 -0.797 0.000 2.472 191 Q HA -0.003 4.337 4.340 0.000 0.000 0.208 191 Q C 1.456 176.959 176.000 -0.828 0.000 0.958 191 Q CA 1.002 56.336 55.803 -0.782 0.000 0.932 191 Q CB -0.508 27.587 28.738 -1.073 0.000 1.007 191 Q HN 0.155 nan 8.270 nan 0.000 0.508 192 C N 0.182 118.853 119.300 -1.049 0.000 2.754 192 C HA 0.608 5.068 4.460 0.000 0.000 0.276 192 C C 1.541 175.812 174.990 -1.199 0.000 1.264 192 C CA 0.207 58.264 59.018 -1.602 0.000 1.700 192 C CB -0.921 25.938 27.740 -1.468 0.000 1.885 192 C HN 0.838 nan 8.230 nan 0.000 0.607 193 G N 0.048 108.462 108.800 -0.644 0.000 2.159 193 G HA2 0.278 4.238 3.960 0.000 0.000 0.227 193 G HA3 0.278 4.238 3.960 0.000 0.000 0.227 193 G C 0.460 175.207 174.900 -0.256 0.000 0.986 193 G CA 0.008 44.901 45.100 -0.346 0.000 0.651 193 G HN 1.638 nan 8.290 nan 0.000 0.523 194 G N -2.076 106.547 108.800 -0.294 0.000 2.592 194 G HA2 0.337 4.297 3.960 0.000 0.000 0.684 194 G HA3 0.337 4.297 3.960 0.000 0.000 0.684 194 G C 1.028 175.868 174.900 -0.101 0.000 1.291 194 G CA 0.977 45.968 45.100 -0.181 0.000 0.891 194 G HN 1.850 nan 8.290 nan 0.000 0.544 195 T N -2.909 111.630 114.554 -0.025 0.000 2.684 195 T HA -0.130 4.220 4.350 0.000 0.000 0.267 195 T C 2.352 177.038 174.700 -0.024 0.000 1.036 195 T CA 3.027 65.156 62.100 0.048 0.000 1.148 195 T CB -0.891 68.032 68.868 0.091 0.000 0.863 195 T HN 1.002 nan 8.240 nan 0.000 0.436 196 T N 1.296 115.842 114.554 -0.013 0.000 2.708 196 T HA -0.039 4.311 4.350 0.000 0.000 0.266 196 T C 2.136 176.794 174.700 -0.071 0.000 1.037 196 T CA 1.549 63.619 62.100 -0.049 0.000 1.146 196 T CB -0.335 68.553 68.868 0.034 0.000 0.865 196 T HN 0.315 nan 8.240 nan 0.000 0.435 197 R N 0.905 121.384 120.500 -0.033 0.000 2.081 197 R HA 0.131 4.471 4.340 0.000 0.000 0.235 197 R C 2.205 178.549 176.300 0.073 0.000 1.131 197 R CA 1.191 57.304 56.100 0.021 0.000 0.960 197 R CB -0.815 29.492 30.300 0.012 0.000 0.856 197 R HN 0.459 nan 8.270 nan 0.000 0.436 198 I N 0.324 120.900 120.570 0.010 0.000 2.439 198 I HA -0.144 4.026 4.170 0.000 0.000 0.251 198 I C 1.706 177.874 176.117 0.084 0.000 1.139 198 I CA 1.143 62.487 61.300 0.074 0.000 1.438 198 I CB 0.064 38.058 38.000 -0.010 0.000 1.085 198 I HN 0.345 nan 8.210 nan 0.000 0.427 199 I N -2.403 118.174 120.570 0.012 0.000 3.226 199 I HA 0.106 4.276 4.170 0.000 0.000 0.277 199 I C 0.858 176.889 176.117 -0.144 0.000 1.243 199 I CA 0.041 61.296 61.300 -0.075 0.000 1.459 199 I CB -0.146 37.703 38.000 -0.252 0.000 1.093 199 I HN -0.088 nan 8.210 nan 0.000 0.453 200 S N 1.286 116.910 115.700 -0.126 0.000 2.584 200 S HA 0.264 4.734 4.470 0.000 0.000 0.273 200 S C 0.914 175.469 174.600 -0.075 0.000 1.311 200 S CA -0.271 57.859 58.200 -0.116 0.000 1.034 200 S CB 1.666 64.808 63.200 -0.097 0.000 0.939 200 S HN 0.311 nan 8.310 nan 0.000 0.513 201 T N 2.203 116.714 114.554 -0.072 0.000 3.000 201 T HA 0.027 4.377 4.350 0.000 0.000 0.233 201 T C 0.595 175.256 174.700 -0.066 0.000 1.036 201 T CA 0.620 62.672 62.100 -0.081 0.000 1.333 201 T CB -0.367 68.456 68.868 -0.075 0.000 1.048 201 T HN 0.612 nan 8.240 nan 0.000 0.425 202 T N 3.550 118.073 114.554 -0.051 0.000 2.831 202 T HA 0.094 4.444 4.350 0.000 0.000 0.291 202 T C 0.728 175.408 174.700 -0.033 0.000 0.981 202 T CA 0.450 62.528 62.100 -0.037 0.000 1.174 202 T CB -0.174 68.679 68.868 -0.025 0.000 0.929 202 T HN 0.528 nan 8.240 nan 0.000 0.532 203 N N 0.709 119.392 118.700 -0.027 0.000 2.800 203 N HA -0.146 4.594 4.740 0.000 0.000 0.250 203 N C 0.157 175.667 175.510 -0.001 0.000 1.078 203 N CA 1.480 54.523 53.050 -0.012 0.000 0.804 203 N CB -1.069 37.416 38.487 -0.004 0.000 1.135 203 N HN 0.947 nan 8.380 nan 0.000 0.565 204 G N -3.105 105.686 108.800 -0.015 0.000 3.086 204 G HA2 0.569 4.529 3.960 0.000 0.000 0.282 204 G HA3 0.569 4.529 3.960 0.000 0.000 0.282 204 G C 0.972 175.863 174.900 -0.014 0.000 1.343 204 G CA -0.034 45.080 45.100 0.022 0.000 0.895 204 G HN 0.294 nan 8.290 nan 0.000 0.557 205 G N -0.958 107.875 108.800 0.055 0.000 2.479 205 G HA2 -0.029 3.931 3.960 0.000 0.000 0.220 205 G HA3 -0.029 3.931 3.960 0.000 0.000 0.220 205 G C 1.182 175.997 174.900 -0.141 0.000 1.115 205 G CA 0.941 45.980 45.100 -0.101 0.000 0.757 205 G HN 0.408 nan 8.290 nan 0.000 0.560 206 Q N -0.443 119.276 119.800 -0.133 0.000 2.204 206 Q HA 0.262 4.603 4.340 0.000 0.000 0.209 206 Q C 1.707 177.613 176.000 -0.156 0.000 0.861 206 Q CA -0.110 55.551 55.803 -0.236 0.000 0.971 206 Q CB 0.657 29.160 28.738 -0.390 0.000 1.095 206 Q HN 0.631 nan 8.270 nan 0.000 0.486 207 E N 0.422 120.549 120.200 -0.122 0.000 2.106 207 E HA -0.081 4.269 4.350 0.000 0.000 0.192 207 E C -0.047 176.476 176.600 -0.128 0.000 0.984 207 E CA 0.760 57.094 56.400 -0.110 0.000 0.806 207 E CB 0.429 30.067 29.700 -0.104 0.000 0.750 207 E HN 0.152 nan 8.360 nan 0.000 0.458 208 R N -0.918 119.484 120.500 -0.164 0.000 2.799 208 R HA 0.463 4.803 4.340 0.000 0.000 0.270 208 R C -1.094 174.979 176.300 -0.378 0.000 1.010 208 R CA -0.743 55.175 56.100 -0.304 0.000 0.916 208 R CB 1.992 32.093 30.300 -0.331 0.000 1.228 208 R HN -0.180 nan 8.270 nan 0.000 0.469 209 K N 0.522 120.530 120.400 -0.653 0.000 2.444 209 K HA 0.442 4.762 4.320 0.000 0.000 0.252 209 K C -1.160 175.122 176.600 -0.531 0.000 0.993 209 K CA -0.710 55.212 56.287 -0.608 0.000 0.847 209 K CB 1.563 33.769 32.500 -0.491 0.000 1.340 209 K HN 0.236 nan 8.250 nan 0.000 0.446 210 F N 1.114 121.004 119.950 -0.100 0.000 2.427 210 F HA 0.148 4.675 4.527 0.000 0.000 0.352 210 F C 0.467 176.324 175.800 0.094 0.000 1.100 210 F CA -0.913 57.075 58.000 -0.020 0.000 1.191 210 F CB 0.946 39.906 39.000 -0.067 0.000 1.128 210 F HN 0.011 nan 8.300 nan 0.000 0.533 211 V N 3.854 123.967 119.914 0.332 0.000 2.493 211 V HA 0.199 4.319 4.120 0.000 0.000 0.292 211 V C 0.955 176.937 176.094 -0.186 0.000 1.016 211 V CA 1.296 63.702 62.300 0.177 0.000 1.097 211 V CB 0.100 32.007 31.823 0.140 0.000 0.947 211 V HN 1.112 nan 8.190 nan 0.000 0.479 212 G N 3.332 111.615 108.800 -0.862 0.000 2.195 212 G HA2 0.135 4.095 3.960 0.000 0.000 0.246 212 G HA3 0.135 4.095 3.960 0.000 0.000 0.246 212 G C 0.790 175.162 174.900 -0.881 0.000 0.984 212 G CA -0.066 44.258 45.100 -1.294 0.000 0.633 212 G HN 2.430 nan 8.290 nan 0.000 0.525 213 G N -1.445 107.126 108.800 -0.381 0.000 2.650 213 G HA2 0.367 4.327 3.960 0.000 0.000 0.686 213 G HA3 0.367 4.327 3.960 0.000 0.000 0.686 213 G C 0.819 175.725 174.900 0.010 0.000 1.205 213 G CA 0.846 45.922 45.100 -0.040 0.000 0.781 213 G HN 1.875 nan 8.290 nan 0.000 0.648 214 S N 0.030 115.790 115.700 0.100 0.000 2.453 214 S HA 0.122 4.592 4.470 0.000 0.000 0.231 214 S C 2.537 177.118 174.600 -0.032 0.000 1.005 214 S CA 1.646 59.898 58.200 0.087 0.000 0.949 214 S CB -0.060 63.252 63.200 0.186 0.000 0.774 214 S HN 2.172 nan 8.310 nan 0.000 0.510 215 G N 1.420 110.216 108.800 -0.006 0.000 2.462 215 G HA2 -0.187 3.773 3.960 0.000 0.000 0.220 215 G HA3 -0.187 3.773 3.960 0.000 0.000 0.220 215 G C 1.451 176.320 174.900 -0.052 0.000 1.121 215 G CA 0.664 45.766 45.100 0.002 0.000 0.758 215 G HN 0.632 nan 8.290 nan 0.000 0.559 216 Q N -0.198 119.537 119.800 -0.109 0.000 2.234 216 Q HA -0.077 4.263 4.340 0.000 0.000 0.206 216 Q C 2.753 178.654 176.000 -0.165 0.000 0.980 216 Q CA 1.090 56.808 55.803 -0.141 0.000 0.869 216 Q CB -0.212 28.416 28.738 -0.183 0.000 0.912 216 Q HN 0.440 nan 8.270 nan 0.000 0.436 217 V N 0.313 120.099 119.914 -0.213 0.000 2.233 217 V HA -0.293 3.827 4.120 0.000 0.000 0.247 217 V C 2.160 178.185 176.094 -0.115 0.000 1.050 217 V CA 2.164 64.339 62.300 -0.207 0.000 1.010 217 V CB -0.645 31.035 31.823 -0.239 0.000 0.637 217 V HN 0.298 nan 8.190 nan 0.000 0.444 218 S N -0.737 114.920 115.700 -0.072 0.000 2.383 218 S HA -0.197 4.273 4.470 0.000 0.000 0.227 218 S C 1.921 176.497 174.600 -0.040 0.000 1.026 218 S CA 1.512 59.689 58.200 -0.038 0.000 0.981 218 S CB -0.275 62.924 63.200 -0.000 0.000 0.818 218 S HN 0.684 nan 8.310 nan 0.000 0.472 219 E N 0.985 121.160 120.200 -0.041 0.000 2.051 219 E HA -0.091 4.259 4.350 0.000 0.000 0.192 219 E C 2.364 178.932 176.600 -0.053 0.000 0.991 219 E CA 0.866 57.243 56.400 -0.037 0.000 0.799 219 E CB -0.082 29.596 29.700 -0.036 0.000 0.748 219 E HN 0.350 nan 8.360 nan 0.000 0.449 220 R N 0.233 120.690 120.500 -0.072 0.000 2.115 220 R HA -0.041 4.299 4.340 0.000 0.000 0.230 220 R C 2.325 178.583 176.300 -0.070 0.000 1.111 220 R CA 0.822 56.878 56.100 -0.073 0.000 0.976 220 R CB -0.173 30.073 30.300 -0.089 0.000 0.870 220 R HN 0.224 nan 8.270 nan 0.000 0.445 221 I N 0.610 121.137 120.570 -0.072 0.000 2.315 221 I HA -0.270 3.900 4.170 0.000 0.000 0.248 221 I C 2.655 178.723 176.117 -0.082 0.000 1.117 221 I CA 1.074 62.330 61.300 -0.074 0.000 1.404 221 I CB -0.169 37.791 38.000 -0.066 0.000 1.071 221 I HN 0.193 nan 8.210 nan 0.000 0.419 222 M N 0.869 120.430 119.600 -0.066 0.000 2.108 222 M HA -0.252 4.228 4.480 0.000 0.000 0.261 222 M C 1.653 177.913 176.300 -0.066 0.000 1.066 222 M CA 1.969 57.232 55.300 -0.063 0.000 1.107 222 M CB -0.203 32.372 32.600 -0.042 0.000 1.356 222 M HN 0.134 nan 8.290 nan 0.000 0.406 223 D N 0.741 121.105 120.400 -0.059 0.000 2.104 223 D HA -0.161 4.479 4.640 0.000 0.000 0.194 223 D C 2.049 178.311 176.300 -0.064 0.000 0.994 223 D CA 1.486 55.455 54.000 -0.052 0.000 0.830 223 D CB -0.497 40.276 40.800 -0.045 0.000 0.959 223 D HN 0.433 nan 8.370 nan 0.000 0.452 224 L N 0.062 121.236 121.223 -0.081 0.000 2.083 224 L HA -0.109 4.231 4.340 0.000 0.000 0.209 224 L C 2.392 179.151 176.870 -0.186 0.000 1.083 224 L CA 0.656 55.435 54.840 -0.102 0.000 0.752 224 L CB -0.228 41.773 42.059 -0.097 0.000 0.899 224 L HN 0.029 nan 8.230 nan 0.000 0.433 225 L N -1.164 119.932 121.223 -0.212 0.000 2.418 225 L HA 0.131 4.471 4.340 0.000 0.000 0.218 225 L C 1.677 178.456 176.870 -0.151 0.000 1.125 225 L CA 0.403 55.074 54.840 -0.281 0.000 0.835 225 L CB -0.690 41.231 42.059 -0.228 0.000 0.953 225 L HN 0.437 nan 8.230 nan 0.000 0.454 226 G N 1.922 110.666 108.800 -0.094 0.000 2.611 226 G HA2 -0.455 3.505 3.960 0.000 0.000 0.301 226 G HA3 -0.455 3.505 3.960 0.000 0.000 0.301 226 G C 0.521 175.399 174.900 -0.036 0.000 1.233 226 G CA 0.545 45.615 45.100 -0.049 0.000 0.993 226 G HN 0.511 nan 8.290 nan 0.000 0.553 227 D N 0.900 121.290 120.400 -0.016 0.000 2.378 227 D HA 0.028 4.668 4.640 0.000 0.000 0.227 227 D C 2.076 178.378 176.300 0.003 0.000 1.012 227 D CA 0.905 54.905 54.000 -0.001 0.000 0.905 227 D CB -0.343 40.465 40.800 0.013 0.000 0.895 227 D HN 0.642 nan 8.370 nan 0.000 0.532 228 R N -0.048 120.444 120.500 -0.015 0.000 2.189 228 R HA 0.070 4.410 4.340 0.000 0.000 0.223 228 R C 0.300 176.577 176.300 -0.037 0.000 1.092 228 R CA 0.349 56.440 56.100 -0.015 0.000 0.989 228 R CB 0.158 30.440 30.300 -0.031 0.000 0.876 228 R HN 0.101 nan 8.270 nan 0.000 0.457 229 V N 2.977 122.864 119.914 -0.046 0.000 2.406 229 V HA 0.107 4.227 4.120 0.000 0.000 0.272 229 V C -0.066 176.002 176.094 -0.042 0.000 1.043 229 V CA -0.342 61.926 62.300 -0.054 0.000 0.915 229 V CB 1.323 33.115 31.823 -0.052 0.000 0.988 229 V HN 0.047 nan 8.190 nan 0.000 0.466 230 K N 6.519 126.881 120.400 -0.064 0.000 2.334 230 K HA 0.535 4.855 4.320 0.000 0.000 0.265 230 K C -0.695 175.872 176.600 -0.055 0.000 1.039 230 K CA -0.318 55.942 56.287 -0.044 0.000 0.920 230 K CB 1.802 34.266 32.500 -0.059 0.000 1.160 230 K HN 0.501 nan 8.250 nan 0.000 0.451 231 L N 1.600 122.803 121.223 -0.033 0.000 2.399 231 L HA 0.178 4.518 4.340 0.000 0.000 0.266 231 L C 0.716 177.562 176.870 -0.039 0.000 1.114 231 L CA -0.205 54.611 54.840 -0.040 0.000 0.804 231 L CB 0.227 42.272 42.059 -0.023 0.000 1.146 231 L HN 0.691 nan 8.230 nan 0.000 0.451 232 E N 0.561 120.723 120.200 -0.063 0.000 2.389 232 E HA -0.228 4.122 4.350 0.000 0.000 0.243 232 E C -0.507 176.056 176.600 -0.061 0.000 1.154 232 E CA 0.281 56.642 56.400 -0.065 0.000 0.723 232 E CB -0.842 28.841 29.700 -0.027 0.000 1.261 232 E HN 0.380 nan 8.360 nan 0.000 0.390 233 R N 0.246 120.692 120.500 -0.090 0.000 2.724 233 R HA 0.250 4.590 4.340 0.000 0.000 0.284 233 R C -2.698 173.527 176.300 -0.125 0.000 1.481 233 R CA -1.959 54.096 56.100 -0.075 0.000 1.652 233 R CB 0.603 30.863 30.300 -0.066 0.000 1.175 233 R HN -0.010 nan 8.270 nan 0.000 0.613 234 P HA 0.030 nan 4.420 nan 0.000 0.271 234 P C -0.322 176.939 177.300 -0.065 0.000 1.226 234 P CA -0.209 62.786 63.100 -0.175 0.000 0.765 234 P CB 0.975 32.578 31.700 -0.163 0.000 0.835 235 V N 5.521 125.406 119.914 -0.048 0.000 2.555 235 V HA 0.070 4.190 4.120 0.000 0.000 0.286 235 V C 1.709 177.816 176.094 0.021 0.000 1.044 235 V CA 0.392 62.684 62.300 -0.014 0.000 1.026 235 V CB 0.369 32.174 31.823 -0.030 0.000 0.981 235 V HN 0.540 nan 8.190 nan 0.000 0.480 236 I N 1.742 122.335 120.570 0.040 0.000 4.323 236 I HA 0.444 4.614 4.170 0.000 0.000 0.328 236 I C 0.001 176.202 176.117 0.141 0.000 1.310 236 I CA 0.128 61.479 61.300 0.085 0.000 1.186 236 I CB 0.616 38.642 38.000 0.044 0.000 1.130 236 I HN 0.501 nan 8.210 nan 0.000 0.411 237 Y N 1.856 122.099 120.300 -0.096 0.000 2.436 237 Y HA 0.688 5.238 4.550 -0.000 0.000 0.327 237 Y C -1.870 173.947 175.900 -0.137 0.000 1.138 237 Y CA -1.549 56.478 58.100 -0.122 0.000 1.042 237 Y CB 1.659 40.077 38.460 -0.070 0.000 1.302 237 Y HN -0.016 nan 8.280 nan 0.000 0.439 238 I N 5.713 125.857 120.570 -0.710 0.000 2.447 238 I HA 0.301 4.471 4.170 0.000 0.000 0.287 238 I C -1.420 174.303 176.117 -0.657 0.000 1.023 238 I CA -0.698 60.278 61.300 -0.540 0.000 1.083 238 I CB 1.875 39.715 38.000 -0.268 0.000 1.245 238 I HN 0.524 nan 8.210 nan 0.000 0.434 239 D N 5.964 126.047 120.400 -0.529 0.000 2.425 239 D HA 0.284 4.924 4.640 0.000 0.000 0.240 239 D C -0.282 175.947 176.300 -0.118 0.000 1.080 239 D CA -0.208 53.585 54.000 -0.344 0.000 0.836 239 D CB 1.569 42.210 40.800 -0.265 0.000 1.125 239 D HN 0.490 nan 8.370 nan 0.000 0.525 240 Q N 1.791 121.561 119.800 -0.050 0.000 2.175 240 Q HA 0.082 4.422 4.340 0.000 0.000 0.225 240 Q C 1.132 177.130 176.000 -0.004 0.000 0.837 240 Q CA 0.003 55.795 55.803 -0.018 0.000 1.032 240 Q CB 0.812 29.552 28.738 0.004 0.000 1.137 240 Q HN 0.585 nan 8.270 nan 0.000 0.483 241 T N -2.467 112.089 114.554 0.004 0.000 3.055 241 T HA 0.095 4.445 4.350 0.000 0.000 0.265 241 T C 0.942 175.648 174.700 0.010 0.000 1.111 241 T CA 0.277 62.388 62.100 0.017 0.000 1.118 241 T CB 0.272 69.161 68.868 0.035 0.000 0.909 241 T HN 0.078 nan 8.240 nan 0.000 0.501 242 R N 0.174 120.675 120.500 0.003 0.000 2.944 242 R HA 0.480 4.820 4.340 0.000 0.000 0.233 242 R C 1.377 177.668 176.300 -0.016 0.000 1.346 242 R CA -0.793 55.306 56.100 -0.001 0.000 1.082 242 R CB 0.811 31.114 30.300 0.005 0.000 1.434 242 R HN 0.092 nan 8.270 nan 0.000 0.510 243 E N 0.744 120.934 120.200 -0.018 0.000 2.058 243 E HA -0.153 4.197 4.350 0.000 0.000 0.194 243 E C -0.268 176.300 176.600 -0.053 0.000 0.997 243 E CA 1.244 57.626 56.400 -0.031 0.000 0.801 243 E CB 0.165 29.850 29.700 -0.024 0.000 0.746 243 E HN 0.287 nan 8.360 nan 0.000 0.450 244 N N 0.171 118.845 118.700 -0.044 0.000 2.417 244 N HA 0.176 4.916 4.740 0.000 0.000 0.300 244 N C -0.938 174.545 175.510 -0.044 0.000 1.102 244 N CA -0.385 52.631 53.050 -0.056 0.000 0.886 244 N CB 2.052 40.518 38.487 -0.036 0.000 1.203 244 N HN -0.149 nan 8.380 nan 0.000 0.496 245 V N 2.084 121.965 119.914 -0.055 0.000 2.637 245 V HA 0.154 4.274 4.120 0.000 0.000 0.296 245 V C 0.495 176.581 176.094 -0.013 0.000 1.046 245 V CA -0.223 62.055 62.300 -0.037 0.000 1.066 245 V CB 0.127 31.930 31.823 -0.033 0.000 0.968 245 V HN 0.366 nan 8.190 nan 0.000 0.483 246 L N 5.478 126.689 121.223 -0.022 0.000 2.296 246 L HA 0.585 4.925 4.340 0.000 0.000 0.286 246 L C -0.625 176.238 176.870 -0.012 0.000 1.023 246 L CA -0.543 54.302 54.840 0.008 0.000 0.812 246 L CB 1.789 43.866 42.059 0.030 0.000 1.223 246 L HN 0.373 nan 8.230 nan 0.000 0.421 247 V N 2.788 122.738 119.914 0.061 0.000 2.409 247 V HA 0.359 4.479 4.120 0.000 0.000 0.291 247 V C -0.224 175.966 176.094 0.160 0.000 1.020 247 V CA -0.621 61.717 62.300 0.063 0.000 0.848 247 V CB 1.774 33.630 31.823 0.056 0.000 0.990 247 V HN 0.729 nan 8.190 nan 0.000 0.430 248 E N 2.849 123.141 120.200 0.153 0.000 2.191 248 E HA 0.661 5.011 4.350 0.000 0.000 0.274 248 E C -0.305 176.369 176.600 0.122 0.000 0.948 248 E CA -0.466 56.041 56.400 0.178 0.000 0.802 248 E CB 1.872 31.705 29.700 0.221 0.000 1.137 248 E HN 0.840 nan 8.360 nan 0.000 0.397 249 T N 0.882 115.501 114.554 0.108 0.000 2.952 249 T HA 0.209 4.559 4.350 0.000 0.000 0.286 249 T C 0.913 175.579 174.700 -0.056 0.000 1.024 249 T CA -0.844 61.280 62.100 0.040 0.000 1.029 249 T CB 1.149 70.065 68.868 0.080 0.000 1.094 249 T HN 0.431 nan 8.240 nan 0.000 0.515 250 L N 1.628 122.797 121.223 -0.089 0.000 2.083 250 L HA 0.029 4.369 4.340 0.000 0.000 0.209 250 L C 1.887 178.536 176.870 -0.370 0.000 1.083 250 L CA 2.101 56.831 54.840 -0.182 0.000 0.752 250 L CB -1.168 40.842 42.059 -0.083 0.000 0.899 250 L HN 0.936 nan 8.230 nan 0.000 0.433 251 N N -2.523 116.061 118.700 -0.192 0.000 2.485 251 N HA -0.109 4.631 4.740 0.000 0.000 0.199 251 N C -0.135 175.379 175.510 0.005 0.000 1.236 251 N CA 0.316 53.308 53.050 -0.096 0.000 0.852 251 N CB -0.329 38.169 38.487 0.019 0.000 1.018 251 N HN 0.419 nan 8.380 nan 0.000 0.457 252 H N -2.235 116.850 119.070 0.026 0.000 3.049 252 H HA -0.129 4.427 4.556 0.000 0.000 0.250 252 H C -0.936 174.395 175.328 0.004 0.000 1.219 252 H CA 0.787 56.841 56.048 0.009 0.000 1.117 252 H CB -1.953 27.806 29.762 -0.006 0.000 1.251 252 H HN 0.666 nan 8.280 nan 0.000 0.338 253 E N 0.251 120.504 120.200 0.088 0.000 2.242 253 E HA 0.512 4.862 4.350 0.000 0.000 0.275 253 E C 0.142 176.741 176.600 -0.002 0.000 1.002 253 E CA -0.847 55.563 56.400 0.016 0.000 0.841 253 E CB 1.523 31.255 29.700 0.054 0.000 1.109 253 E HN 0.022 nan 8.360 nan 0.000 0.394 254 M N 2.602 122.101 119.600 -0.168 0.000 2.321 254 M HA 0.348 4.828 4.480 0.000 0.000 0.315 254 M C -2.049 174.058 176.300 -0.322 0.000 1.052 254 M CA -0.424 54.816 55.300 -0.099 0.000 0.936 254 M CB 0.918 33.496 32.600 -0.037 0.000 1.639 254 M HN 0.386 nan 8.290 nan 0.000 0.433 255 Y N 1.744 122.054 120.300 0.018 0.000 2.393 255 Y HA 0.585 5.135 4.550 0.000 0.000 0.341 255 Y C -0.409 175.495 175.900 0.005 0.000 0.988 255 Y CA -0.659 57.447 58.100 0.010 0.000 1.078 255 Y CB 1.750 40.213 38.460 0.006 0.000 1.203 255 Y HN 0.595 nan 8.280 nan 0.000 0.453 256 E N 1.856 122.130 120.200 0.124 0.000 2.187 256 E HA 0.837 5.187 4.350 0.000 0.000 0.268 256 E C -1.456 175.183 176.600 0.065 0.000 0.896 256 E CA -0.683 55.756 56.400 0.066 0.000 0.766 256 E CB 1.231 30.946 29.700 0.025 0.000 1.142 256 E HN 0.767 nan 8.360 nan 0.000 0.408 257 A N 3.587 126.428 122.820 0.035 0.000 2.594 257 A HA 0.364 4.684 4.320 0.000 0.000 0.291 257 A C -0.068 177.490 177.584 -0.044 0.000 1.105 257 A CA -0.652 51.399 52.037 0.023 0.000 0.694 257 A CB 1.514 20.546 19.000 0.053 0.000 1.291 257 A HN 0.690 nan 8.150 nan 0.000 0.410 258 K N -0.759 119.598 120.400 -0.071 0.000 2.116 258 K HA 0.100 4.420 4.320 0.000 0.000 0.203 258 K C -0.661 175.598 176.600 -0.568 0.000 1.052 258 K CA 1.482 57.592 56.287 -0.296 0.000 0.952 258 K CB -0.065 32.300 32.500 -0.225 0.000 0.729 258 K HN 0.611 nan 8.250 nan 0.000 0.446 259 Y N -1.243 119.078 120.300 0.035 0.000 2.615 259 Y HA 0.399 4.949 4.550 0.000 0.000 0.341 259 Y C -0.643 175.282 175.900 0.041 0.000 1.089 259 Y CA -1.313 56.825 58.100 0.062 0.000 1.049 259 Y CB 1.808 40.303 38.460 0.059 0.000 1.296 259 Y HN -0.424 nan 8.280 nan 0.000 0.470 260 V N 2.991 123.042 119.914 0.228 0.000 2.656 260 V HA 0.480 4.600 4.120 0.000 0.000 0.307 260 V C -0.651 175.487 176.094 0.074 0.000 1.051 260 V CA -0.863 61.497 62.300 0.101 0.000 0.893 260 V CB 2.113 33.961 31.823 0.042 0.000 0.999 260 V HN 0.545 nan 8.190 nan 0.000 0.426 261 I N 2.810 123.394 120.570 0.024 0.000 2.339 261 I HA 0.339 4.509 4.170 0.000 0.000 0.290 261 I C 0.311 176.411 176.117 -0.029 0.000 0.994 261 I CA -0.123 61.169 61.300 -0.013 0.000 1.191 261 I CB 1.884 39.885 38.000 0.002 0.000 1.343 261 I HN 0.606 nan 8.210 nan 0.000 0.458 262 S N 5.462 121.112 115.700 -0.084 0.000 2.399 262 S HA 0.509 4.979 4.470 0.000 0.000 0.301 262 S C 0.461 175.142 174.600 0.134 0.000 1.093 262 S CA -0.477 57.750 58.200 0.046 0.000 1.077 262 S CB 0.514 63.784 63.200 0.116 0.000 0.980 262 S HN 0.715 nan 8.310 nan 0.000 0.494 263 A N 5.854 128.740 122.820 0.110 0.000 2.827 263 A HA 0.451 4.771 4.320 0.000 0.000 0.300 263 A C 0.376 178.035 177.584 0.127 0.000 1.237 263 A CA -0.673 51.434 52.037 0.116 0.000 0.964 263 A CB -0.542 18.502 19.000 0.072 0.000 1.143 263 A HN 0.908 nan 8.150 nan 0.000 0.554 264 I N -3.960 116.703 120.570 0.156 0.000 2.750 264 I HA 0.669 4.839 4.170 0.000 0.000 0.308 264 I C -2.909 173.302 176.117 0.158 0.000 1.016 264 I CA -3.091 58.298 61.300 0.150 0.000 1.098 264 I CB 1.412 39.502 38.000 0.150 0.000 1.279 264 I HN -0.164 nan 8.210 nan 0.000 0.454 265 P HA 0.120 nan 4.420 nan 0.000 0.264 265 P C -2.166 175.187 177.300 0.088 0.000 1.183 265 P CA -0.599 62.569 63.100 0.113 0.000 0.763 265 P CB -0.015 31.740 31.700 0.092 0.000 0.807 266 P HA -0.240 nan 4.420 nan 0.000 0.215 266 P C 1.629 178.911 177.300 -0.030 0.000 1.163 266 P CA 1.930 65.033 63.100 0.005 0.000 0.894 266 P CB -0.293 31.379 31.700 -0.046 0.000 0.791 267 T N -1.308 113.203 114.554 -0.072 0.000 2.881 267 T HA -0.076 4.274 4.350 0.000 0.000 0.270 267 T C 1.524 176.213 174.700 -0.020 0.000 1.068 267 T CA 0.752 62.799 62.100 -0.089 0.000 1.131 267 T CB -0.822 67.959 68.868 -0.146 0.000 0.871 267 T HN -0.038 nan 8.240 nan 0.000 0.479 268 L N 0.421 121.661 121.223 0.029 0.000 2.549 268 L HA 0.110 4.450 4.340 0.000 0.000 0.229 268 L C 2.777 179.717 176.870 0.117 0.000 1.158 268 L CA 0.723 55.608 54.840 0.075 0.000 0.842 268 L CB -0.762 41.367 42.059 0.116 0.000 0.952 268 L HN 0.353 nan 8.230 nan 0.000 0.452 269 G N -0.153 108.727 108.800 0.133 0.000 2.479 269 G HA2 -0.246 3.714 3.960 0.000 0.000 0.220 269 G HA3 -0.246 3.714 3.960 0.000 0.000 0.220 269 G C 1.600 176.637 174.900 0.228 0.000 1.115 269 G CA 0.212 45.451 45.100 0.232 0.000 0.757 269 G HN 0.158 nan 8.290 nan 0.000 0.560 270 M N 0.344 120.005 119.600 0.102 0.000 2.358 270 M HA 0.004 4.484 4.480 0.000 0.000 0.264 270 M C 2.053 178.363 176.300 0.018 0.000 1.064 270 M CA 0.996 56.324 55.300 0.047 0.000 1.093 270 M CB -0.471 32.120 32.600 -0.016 0.000 1.401 270 M HN 0.233 nan 8.290 nan 0.000 0.440 271 K N 0.079 120.512 120.400 0.055 0.000 2.525 271 K HA 0.166 4.486 4.320 0.000 0.000 0.192 271 K C 0.385 177.024 176.600 0.065 0.000 1.029 271 K CA 0.395 56.720 56.287 0.063 0.000 1.029 271 K CB 0.188 32.760 32.500 0.119 0.000 0.814 271 K HN 0.322 nan 8.250 nan 0.000 0.503 272 I N 1.196 121.767 120.570 0.002 0.000 2.412 272 I HA 0.130 4.300 4.170 0.000 0.000 0.296 272 I C 0.147 176.098 176.117 -0.277 0.000 0.987 272 I CA -0.761 60.443 61.300 -0.160 0.000 1.180 272 I CB 1.306 39.056 38.000 -0.417 0.000 1.340 272 I HN 0.042 nan 8.210 nan 0.000 0.455 273 H N 5.976 124.928 119.070 -0.197 0.000 2.527 273 H HA 0.355 4.911 4.556 0.000 0.000 0.321 273 H C -1.122 174.096 175.328 -0.184 0.000 1.087 273 H CA -0.224 55.809 56.048 -0.024 0.000 1.337 273 H CB 1.201 31.045 29.762 0.137 0.000 1.440 273 H HN 0.324 nan 8.280 nan 0.000 0.490 274 F N 1.888 121.938 119.950 0.166 0.000 2.469 274 F HA 0.174 4.701 4.527 -0.000 0.000 0.332 274 F C 0.572 176.411 175.800 0.065 0.000 1.103 274 F CA -0.740 57.287 58.000 0.045 0.000 0.979 274 F CB 1.411 40.425 39.000 0.024 0.000 1.137 274 F HN 0.467 nan 8.300 nan 0.000 0.463 275 N N 4.323 123.105 118.700 0.136 0.000 2.461 275 N HA 0.420 5.160 4.740 0.000 0.000 0.284 275 N C -3.012 172.542 175.510 0.074 0.000 1.049 275 N CA -2.357 50.767 53.050 0.124 0.000 0.889 275 N CB 2.173 40.755 38.487 0.157 0.000 1.365 275 N HN 0.076 nan 8.380 nan 0.000 0.499 276 P HA 0.304 nan 4.420 nan 0.000 0.274 276 P C -2.641 174.732 177.300 0.121 0.000 1.260 276 P CA -0.961 62.195 63.100 0.093 0.000 0.793 276 P CB -0.398 31.336 31.700 0.057 0.000 1.048 277 P HA 0.077 nan 4.420 nan 0.000 0.268 277 P C 0.095 177.407 177.300 0.020 0.000 1.208 277 P CA 0.275 63.433 63.100 0.096 0.000 0.777 277 P CB 0.161 31.900 31.700 0.065 0.000 0.875 278 L N 3.362 124.549 121.223 -0.059 0.000 2.483 278 L HA 0.119 4.459 4.340 0.000 0.000 0.275 278 L C -1.663 175.152 176.870 -0.092 0.000 1.220 278 L CA -1.517 53.219 54.840 -0.173 0.000 0.833 278 L CB -0.720 41.149 42.059 -0.318 0.000 1.102 278 L HN 0.299 nan 8.230 nan 0.000 0.490 279 P HA -0.049 nan 4.420 nan 0.000 0.268 279 P C 0.670 177.936 177.300 -0.056 0.000 1.208 279 P CA -0.185 62.880 63.100 -0.059 0.000 0.777 279 P CB 0.467 32.131 31.700 -0.060 0.000 0.875 280 M N 1.949 121.529 119.600 -0.033 0.000 2.103 280 M HA -0.250 4.230 4.480 0.000 0.000 0.255 280 M C 1.229 177.534 176.300 0.009 0.000 1.074 280 M CA 2.340 57.631 55.300 -0.014 0.000 1.090 280 M CB -0.364 32.230 32.600 -0.010 0.000 1.325 280 M HN 0.189 nan 8.290 nan 0.000 0.403 281 M N -0.382 119.219 119.600 0.002 0.000 2.086 281 M HA -0.159 4.322 4.480 0.000 0.000 0.261 281 M C 2.315 178.655 176.300 0.068 0.000 1.067 281 M CA 1.810 57.150 55.300 0.067 0.000 1.116 281 M CB -1.469 31.113 32.600 -0.029 0.000 1.348 281 M HN 0.438 nan 8.290 nan 0.000 0.407 282 R N 0.336 120.804 120.500 -0.054 0.000 2.092 282 R HA -0.174 4.166 4.340 0.000 0.000 0.231 282 R C 2.014 178.227 176.300 -0.146 0.000 1.119 282 R CA 1.742 57.760 56.100 -0.136 0.000 0.970 282 R CB -0.227 29.942 30.300 -0.218 0.000 0.864 282 R HN 0.343 nan 8.270 nan 0.000 0.440 283 N N 0.508 119.139 118.700 -0.114 0.000 2.061 283 N HA -0.231 4.509 4.740 0.000 0.000 0.193 283 N C 1.602 177.045 175.510 -0.112 0.000 1.030 283 N CA 1.978 54.967 53.050 -0.101 0.000 0.856 283 N CB -0.014 38.437 38.487 -0.060 0.000 1.023 283 N HN 0.343 nan 8.380 nan 0.000 0.424 284 Q N -1.072 118.669 119.800 -0.098 0.000 2.187 284 Q HA -0.058 4.282 4.340 0.000 0.000 0.199 284 Q C 1.989 177.727 176.000 -0.436 0.000 0.957 284 Q CA 0.661 56.348 55.803 -0.194 0.000 0.857 284 Q CB -0.127 28.569 28.738 -0.070 0.000 0.929 284 Q HN 0.499 nan 8.270 nan 0.000 0.453 285 M N 1.635 120.981 119.600 -0.424 0.000 2.108 285 M HA -0.168 4.312 4.480 0.000 0.000 0.261 285 M C 1.997 178.060 176.300 -0.395 0.000 1.066 285 M CA 1.660 56.655 55.300 -0.508 0.000 1.107 285 M CB -0.456 32.018 32.600 -0.209 0.000 1.356 285 M HN 0.302 nan 8.290 nan 0.000 0.406 286 I N -1.665 118.738 120.570 -0.279 0.000 3.334 286 I HA -0.063 4.107 4.170 0.000 0.000 0.282 286 I C 1.431 177.414 176.117 -0.223 0.000 1.313 286 I CA 1.336 62.501 61.300 -0.224 0.000 1.396 286 I CB -0.998 36.916 38.000 -0.143 0.000 1.054 286 I HN 0.307 nan 8.210 nan 0.000 0.495 287 T N -2.531 111.867 114.554 -0.260 0.000 3.069 287 T HA 0.296 4.646 4.350 0.000 0.000 0.252 287 T C 1.449 175.976 174.700 -0.289 0.000 1.053 287 T CA -0.249 61.711 62.100 -0.233 0.000 0.964 287 T CB -0.008 68.746 68.868 -0.190 0.000 1.005 287 T HN 0.413 nan 8.240 nan 0.000 0.532 288 R N 0.926 121.193 120.500 -0.388 0.000 2.508 288 R HA 0.326 4.666 4.340 0.000 0.000 0.300 288 R C -0.110 175.862 176.300 -0.547 0.000 0.970 288 R CA 0.008 55.849 56.100 -0.432 0.000 1.102 288 R CB 1.416 31.404 30.300 -0.518 0.000 1.246 288 R HN 0.426 nan 8.270 nan 0.000 0.539 289 V N -0.756 118.814 119.914 -0.572 0.000 2.383 289 V HA 0.468 4.588 4.120 0.000 0.000 0.261 289 V C -2.706 173.016 176.094 -0.620 0.000 0.987 289 V CA -2.333 59.508 62.300 -0.764 0.000 0.853 289 V CB 0.702 32.030 31.823 -0.825 0.000 1.095 289 V HN -0.112 nan 8.190 nan 0.000 0.461 290 P HA 0.487 nan 4.420 nan 0.000 0.276 290 P C -0.642 176.325 177.300 -0.555 0.000 1.252 290 P CA -0.307 62.446 63.100 -0.579 0.000 0.802 290 P CB 1.801 33.132 31.700 -0.615 0.000 1.035 291 L N 0.427 121.507 121.223 -0.238 0.000 2.352 291 L HA 0.574 4.914 4.340 0.000 0.000 0.269 291 L C 1.496 178.419 176.870 0.089 0.000 1.034 291 L CA -0.145 54.658 54.840 -0.061 0.000 0.806 291 L CB 0.432 42.496 42.059 0.008 0.000 1.244 291 L HN 0.473 nan 8.230 nan 0.000 0.447 292 G N 0.002 108.893 108.800 0.151 0.000 2.611 292 G HA2 0.415 4.375 3.960 0.000 0.000 0.273 292 G HA3 0.415 4.375 3.960 0.000 0.000 0.273 292 G C -0.760 174.163 174.900 0.038 0.000 1.305 292 G CA -0.379 44.783 45.100 0.104 0.000 1.010 292 G HN 0.506 nan 8.290 nan 0.000 0.509 293 S N -1.373 114.320 115.700 -0.011 0.000 2.561 293 S HA 0.589 5.059 4.470 0.000 0.000 0.303 293 S C -1.012 173.598 174.600 0.017 0.000 1.110 293 S CA -0.512 57.708 58.200 0.033 0.000 1.034 293 S CB 1.671 64.896 63.200 0.041 0.000 1.010 293 S HN 0.839 nan 8.310 nan 0.000 0.482 294 V N 4.811 124.791 119.914 0.110 0.000 3.000 294 V HA 0.562 4.682 4.120 0.000 0.000 0.300 294 V C -1.952 174.328 176.094 0.310 0.000 1.251 294 V CA -0.754 61.650 62.300 0.174 0.000 0.972 294 V CB 1.755 33.648 31.823 0.117 0.000 1.065 294 V HN 0.881 nan 8.190 nan 0.000 0.431 295 I N 5.348 126.105 120.570 0.312 0.000 2.362 295 I HA 0.515 4.685 4.170 0.000 0.000 0.289 295 I C -0.184 176.186 176.117 0.421 0.000 0.994 295 I CA -0.604 60.892 61.300 0.326 0.000 1.158 295 I CB 1.680 39.807 38.000 0.213 0.000 1.315 295 I HN 0.525 nan 8.210 nan 0.000 0.451 296 K N 6.017 126.696 120.400 0.465 0.000 2.248 296 K HA 0.560 4.880 4.320 0.000 0.000 0.281 296 K C -1.424 175.291 176.600 0.192 0.000 1.054 296 K CA -0.310 56.211 56.287 0.390 0.000 0.903 296 K CB 0.887 33.684 32.500 0.495 0.000 1.077 296 K HN 0.697 nan 8.250 nan 0.000 0.474 297 C N 5.378 124.746 119.300 0.113 0.000 2.441 297 C HA 0.572 5.032 4.460 0.000 0.000 0.318 297 C C -0.837 174.194 174.990 0.068 0.000 1.222 297 C CA -1.080 57.999 59.018 0.103 0.000 1.474 297 C CB 0.049 27.960 27.740 0.285 0.000 2.125 297 C HN 0.733 nan 8.230 nan 0.000 0.479 298 I N 3.077 123.644 120.570 -0.005 0.000 2.439 298 I HA 0.406 4.576 4.170 0.000 0.000 0.285 298 I C -0.275 175.858 176.117 0.026 0.000 1.021 298 I CA -0.125 61.140 61.300 -0.059 0.000 1.091 298 I CB 1.436 39.353 38.000 -0.138 0.000 1.242 298 I HN 0.352 nan 8.210 nan 0.000 0.439 299 V N 6.762 126.701 119.914 0.041 0.000 2.394 299 V HA 0.372 4.492 4.120 0.000 0.000 0.282 299 V C -0.593 175.350 176.094 -0.251 0.000 1.031 299 V CA -0.671 61.672 62.300 0.071 0.000 0.881 299 V CB 0.752 32.661 31.823 0.143 0.000 0.982 299 V HN 0.405 nan 8.190 nan 0.000 0.451 300 Y N 4.215 124.477 120.300 -0.063 0.000 2.334 300 Y HA 0.654 5.204 4.550 0.000 0.000 0.328 300 Y C -0.226 175.543 175.900 -0.219 0.000 1.130 300 Y CA -0.353 57.751 58.100 0.008 0.000 1.163 300 Y CB 1.286 39.846 38.460 0.167 0.000 1.207 300 Y HN 0.530 nan 8.280 nan 0.000 0.471 301 Y N -0.062 120.493 120.300 0.424 0.000 2.605 301 Y HA 0.285 4.835 4.550 0.000 0.000 0.343 301 Y C 1.133 177.182 175.900 0.248 0.000 1.036 301 Y CA -1.401 56.917 58.100 0.364 0.000 1.065 301 Y CB 1.877 40.649 38.460 0.521 0.000 1.288 301 Y HN 0.500 nan 8.280 nan 0.000 0.481 302 K N 0.205 120.822 120.400 0.360 0.000 2.057 302 K HA -0.073 4.247 4.320 0.000 0.000 0.207 302 K C -0.340 176.334 176.600 0.124 0.000 1.049 302 K CA 1.577 57.972 56.287 0.180 0.000 0.931 302 K CB 0.246 32.823 32.500 0.127 0.000 0.714 302 K HN 0.586 nan 8.250 nan 0.000 0.440 303 E N -0.620 119.669 120.200 0.149 0.000 2.393 303 E HA 0.216 4.566 4.350 0.000 0.000 0.273 303 E C -2.664 173.816 176.600 -0.200 0.000 0.918 303 E CA -2.247 54.148 56.400 -0.007 0.000 0.773 303 E CB 1.816 31.497 29.700 -0.031 0.000 1.275 303 E HN -0.034 nan 8.360 nan 0.000 0.451 304 P HA 0.093 nan 4.420 nan 0.000 0.230 304 P C 0.727 177.103 177.300 -1.540 0.000 1.791 304 P CA -0.116 62.063 63.100 -1.535 0.000 1.020 304 P CB -1.130 29.983 31.700 -0.977 0.000 1.977 305 F N 0.121 119.502 119.950 -0.949 0.000 2.269 305 F HA -0.111 4.416 4.527 0.000 0.000 0.301 305 F C 1.760 177.393 175.800 -0.278 0.000 1.082 305 F CA -0.032 57.709 58.000 -0.432 0.000 1.360 305 F CB -1.716 37.161 39.000 -0.204 0.000 1.041 305 F HN 0.127 nan 8.300 nan 0.000 0.512 306 W N 1.383 122.314 121.300 -0.616 0.000 2.350 306 W HA -0.002 4.658 4.660 0.000 0.000 0.289 306 W C 2.052 178.515 176.519 -0.094 0.000 1.215 306 W CA 0.981 58.175 57.345 -0.253 0.000 1.236 306 W CB -1.144 28.099 29.460 -0.361 0.000 1.130 306 W HN -0.131 nan 8.180 nan 0.000 0.541 307 R N 1.243 121.518 120.500 -0.375 0.000 2.120 307 R HA -0.094 4.246 4.340 0.000 0.000 0.234 307 R C 2.067 178.283 176.300 -0.140 0.000 1.123 307 R CA 1.734 57.720 56.100 -0.191 0.000 0.975 307 R CB -0.469 29.657 30.300 -0.290 0.000 0.866 307 R HN 0.301 nan 8.270 nan 0.000 0.446 308 K N 0.724 121.035 120.400 -0.148 0.000 2.283 308 K HA -0.104 4.216 4.320 0.000 0.000 0.202 308 K C 1.290 177.826 176.600 -0.106 0.000 1.048 308 K CA 0.962 57.190 56.287 -0.099 0.000 0.948 308 K CB 0.064 32.526 32.500 -0.062 0.000 0.742 308 K HN 0.170 nan 8.250 nan 0.000 0.458 309 K N 0.905 121.219 120.400 -0.143 0.000 2.410 309 K HA -0.017 4.303 4.320 0.000 0.000 0.200 309 K C -0.502 175.777 176.600 -0.534 0.000 1.023 309 K CA 0.026 56.126 56.287 -0.312 0.000 1.149 309 K CB 0.315 32.616 32.500 -0.332 0.000 0.859 309 K HN -0.006 nan 8.250 nan 0.000 0.514 310 D N 0.430 120.656 120.400 -0.289 0.000 2.746 310 D HA -0.212 4.428 4.640 0.000 0.000 0.236 310 D C -1.422 174.786 176.300 -0.154 0.000 1.129 310 D CA 0.910 54.792 54.000 -0.197 0.000 0.691 310 D CB -1.451 39.250 40.800 -0.164 0.000 1.077 310 D HN 0.345 nan 8.370 nan 0.000 0.432 311 Y N -0.860 119.470 120.300 0.051 0.000 2.364 311 Y HA 0.318 4.868 4.550 0.000 0.000 0.340 311 Y C 1.990 177.962 175.900 0.121 0.000 0.975 311 Y CA -0.947 57.184 58.100 0.052 0.000 1.089 311 Y CB 1.322 39.822 38.460 0.066 0.000 1.192 311 Y HN 0.251 nan 8.280 nan 0.000 0.454 312 C N -0.985 118.432 119.300 0.196 0.000 2.495 312 C HA 0.460 4.920 4.460 0.000 0.000 0.275 312 C C 1.713 176.772 174.990 0.115 0.000 1.392 312 C CA 0.653 59.764 59.018 0.155 0.000 1.766 312 C CB -0.842 26.915 27.740 0.028 0.000 1.933 312 C HN 1.217 nan 8.230 nan 0.000 0.519 313 G N -0.319 108.381 108.800 -0.167 0.000 2.255 313 G HA2 -0.114 3.846 3.960 0.000 0.000 0.196 313 G HA3 -0.114 3.846 3.960 0.000 0.000 0.196 313 G C 0.027 174.593 174.900 -0.557 0.000 0.998 313 G CA 0.148 44.839 45.100 -0.681 0.000 0.656 313 G HN 0.542 nan 8.290 nan 0.000 0.490 314 T N 2.442 116.767 114.554 -0.382 0.000 2.779 314 T HA 0.617 4.967 4.350 0.000 0.000 0.296 314 T C 0.273 174.747 174.700 -0.376 0.000 0.938 314 T CA 0.617 62.466 62.100 -0.419 0.000 1.119 314 T CB 0.824 69.506 68.868 -0.311 0.000 0.891 314 T HN 0.283 nan 8.240 nan 0.000 0.526 315 M N 4.038 123.384 119.600 -0.422 0.000 2.263 315 M HA 0.476 4.956 4.480 0.000 0.000 0.295 315 M C -0.840 175.409 176.300 -0.084 0.000 1.028 315 M CA -0.558 54.615 55.300 -0.212 0.000 0.921 315 M CB 2.184 34.642 32.600 -0.237 0.000 1.601 315 M HN 0.416 nan 8.290 nan 0.000 0.440 316 I N 4.906 125.592 120.570 0.193 0.000 2.328 316 I HA 0.426 4.596 4.170 0.000 0.000 0.287 316 I C -0.802 175.572 176.117 0.428 0.000 1.012 316 I CA -0.306 61.226 61.300 0.387 0.000 1.195 316 I CB 0.712 38.979 38.000 0.446 0.000 1.350 316 I HN 0.605 nan 8.210 nan 0.000 0.464 317 I N 5.309 126.087 120.570 0.346 0.000 2.382 317 I HA 0.305 4.475 4.170 0.000 0.000 0.285 317 I C -0.523 175.771 176.117 0.296 0.000 1.007 317 I CA -0.484 61.001 61.300 0.307 0.000 1.142 317 I CB 1.383 39.498 38.000 0.192 0.000 1.289 317 I HN 0.440 nan 8.210 nan 0.000 0.453 318 D N 4.591 125.170 120.400 0.299 0.000 2.229 318 D HA 0.763 5.403 4.640 0.000 0.000 0.249 318 D C -0.024 176.393 176.300 0.194 0.000 1.027 318 D CA 0.217 54.361 54.000 0.239 0.000 0.923 318 D CB 2.022 42.962 40.800 0.234 0.000 1.174 318 D HN 0.806 nan 8.370 nan 0.000 0.443 319 G N 2.180 111.075 108.800 0.158 0.000 2.627 319 G HA2 -0.068 3.892 3.960 0.000 0.000 0.680 319 G HA3 -0.068 3.892 3.960 0.000 0.000 0.680 319 G C 0.367 175.343 174.900 0.127 0.000 1.341 319 G CA 0.004 45.183 45.100 0.131 0.000 0.835 319 G HN 0.412 nan 8.290 nan 0.000 0.643 320 E N 0.371 120.640 120.200 0.115 0.000 2.153 320 E HA -0.065 4.285 4.350 0.000 0.000 0.194 320 E C 2.096 178.760 176.600 0.107 0.000 0.988 320 E CA 2.430 58.908 56.400 0.129 0.000 0.811 320 E CB 0.059 29.830 29.700 0.118 0.000 0.746 320 E HN 0.633 nan 8.360 nan 0.000 0.466 321 E N 0.311 120.565 120.200 0.090 0.000 2.208 321 E HA 0.081 4.431 4.350 0.000 0.000 0.193 321 E C 0.324 176.958 176.600 0.058 0.000 0.988 321 E CA 0.873 57.314 56.400 0.069 0.000 0.828 321 E CB -0.291 29.448 29.700 0.065 0.000 0.763 321 E HN 0.289 nan 8.360 nan 0.000 0.478 322 A N 2.517 125.382 122.820 0.075 0.000 2.444 322 A HA 0.184 4.504 4.320 0.000 0.000 0.273 322 A C -1.416 176.199 177.584 0.051 0.000 1.136 322 A CA -1.170 50.905 52.037 0.063 0.000 0.799 322 A CB 0.187 19.247 19.000 0.100 0.000 1.081 322 A HN -0.021 nan 8.150 nan 0.000 0.509 323 P HA -0.058 nan 4.420 nan 0.000 0.217 323 P C 0.275 177.613 177.300 0.063 0.000 1.150 323 P CA 1.027 64.138 63.100 0.019 0.000 0.832 323 P CB 0.069 31.762 31.700 -0.012 0.000 0.787 324 V N 0.114 120.086 119.914 0.097 0.000 2.417 324 V HA 0.476 4.596 4.120 0.000 0.000 0.291 324 V C 1.165 177.382 176.094 0.205 0.000 1.024 324 V CA -0.113 62.295 62.300 0.181 0.000 0.861 324 V CB 1.325 33.290 31.823 0.235 0.000 0.985 324 V HN -0.020 nan 8.190 nan 0.000 0.436 325 A N 4.382 127.352 122.820 0.250 0.000 2.220 325 A HA 0.353 4.673 4.320 0.000 0.000 0.211 325 A C 0.103 177.914 177.584 0.378 0.000 1.176 325 A CA 0.466 52.670 52.037 0.277 0.000 0.834 325 A CB 0.152 19.303 19.000 0.252 0.000 0.868 325 A HN 0.772 nan 8.150 nan 0.000 0.488 326 Y N -0.217 120.210 120.300 0.212 0.000 2.436 326 Y HA 0.458 5.008 4.550 0.000 0.000 0.327 326 Y C -0.435 175.527 175.900 0.104 0.000 1.138 326 Y CA -0.354 57.856 58.100 0.183 0.000 1.042 326 Y CB 1.489 40.103 38.460 0.256 0.000 1.302 326 Y HN 0.124 nan 8.280 nan 0.000 0.439 327 T N 3.941 118.179 114.554 -0.527 0.000 2.906 327 T HA 0.871 5.221 4.350 0.000 0.000 0.295 327 T C -1.554 172.740 174.700 -0.677 0.000 1.075 327 T CA -0.814 60.987 62.100 -0.498 0.000 1.005 327 T CB 1.853 70.395 68.868 -0.543 0.000 1.136 327 T HN 0.608 nan 8.240 nan 0.000 0.498 328 L N 1.138 122.096 121.223 -0.442 0.000 2.409 328 L HA 0.490 4.830 4.340 0.000 0.000 0.262 328 L C -0.638 176.057 176.870 -0.293 0.000 0.992 328 L CA -1.255 53.380 54.840 -0.340 0.000 0.817 328 L CB 2.227 44.174 42.059 -0.186 0.000 1.350 328 L HN 0.749 nan 8.230 nan 0.000 0.411 329 D N 0.982 121.238 120.400 -0.240 0.000 2.450 329 D HA -0.053 4.587 4.640 0.000 0.000 0.247 329 D C -0.225 176.096 176.300 0.036 0.000 1.162 329 D CA 0.631 54.566 54.000 -0.109 0.000 0.879 329 D CB 1.159 42.019 40.800 0.099 0.000 1.163 329 D HN 0.512 nan 8.370 nan 0.000 0.472 330 D N 1.866 122.292 120.400 0.044 0.000 2.462 330 D HA 0.075 4.715 4.640 0.000 0.000 0.221 330 D C -0.334 176.049 176.300 0.138 0.000 1.173 330 D CA -0.156 53.895 54.000 0.085 0.000 0.831 330 D CB 0.387 41.175 40.800 -0.021 0.000 1.001 330 D HN 0.233 nan 8.370 nan 0.000 0.499 331 T N 1.578 116.254 114.554 0.203 0.000 2.946 331 T HA 0.014 4.364 4.350 0.000 0.000 0.311 331 T C 0.541 175.315 174.700 0.124 0.000 1.063 331 T CA -0.099 62.119 62.100 0.197 0.000 1.139 331 T CB 0.766 69.759 68.868 0.207 0.000 0.994 331 T HN -0.065 nan 8.240 nan 0.000 0.547 332 K N 3.822 124.261 120.400 0.064 0.000 2.380 332 K HA 0.064 4.384 4.320 0.000 0.000 0.267 332 K C -1.380 175.112 176.600 -0.180 0.000 0.990 332 K CA -1.814 54.414 56.287 -0.098 0.000 0.946 332 K CB 0.131 32.610 32.500 -0.035 0.000 0.937 332 K HN 0.341 nan 8.250 nan 0.000 0.491 333 P HA -0.134 nan 4.420 nan 0.000 0.219 333 P C 0.346 177.572 177.300 -0.123 0.000 1.146 333 P CA 1.332 64.216 63.100 -0.359 0.000 0.808 333 P CB 0.340 31.709 31.700 -0.553 0.000 0.779 334 E N -0.891 119.258 120.200 -0.084 0.000 2.347 334 E HA 0.101 4.451 4.350 0.000 0.000 0.196 334 E C 1.620 178.216 176.600 -0.008 0.000 1.008 334 E CA 1.091 57.479 56.400 -0.020 0.000 0.852 334 E CB -0.872 28.838 29.700 0.016 0.000 0.783 334 E HN 0.331 nan 8.360 nan 0.000 0.505 335 G N 0.564 109.361 108.800 -0.005 0.000 2.176 335 G HA2 -0.279 3.681 3.960 0.000 0.000 0.232 335 G HA3 -0.279 3.681 3.960 0.000 0.000 0.232 335 G C 0.091 174.992 174.900 0.002 0.000 0.986 335 G CA 0.227 45.324 45.100 -0.006 0.000 0.643 335 G HN 0.373 nan 8.290 nan 0.000 0.522 336 N N -0.720 118.003 118.700 0.038 0.000 2.530 336 N HA 0.539 5.279 4.740 0.000 0.000 0.283 336 N C 0.513 176.124 175.510 0.169 0.000 1.238 336 N CA -0.878 52.178 53.050 0.010 0.000 0.971 336 N CB 0.052 38.475 38.487 -0.107 0.000 1.195 336 N HN 0.605 nan 8.380 nan 0.000 0.583 337 Y N -2.764 117.571 120.300 0.058 0.000 3.168 337 Y HA -0.176 4.374 4.550 0.000 0.000 0.207 337 Y C 0.628 176.674 175.900 0.243 0.000 1.280 337 Y CA 0.310 58.498 58.100 0.148 0.000 1.235 337 Y CB -2.358 36.152 38.460 0.082 0.000 1.370 337 Y HN 0.771 nan 8.280 nan 0.000 0.537 338 A N 0.292 123.281 122.820 0.281 0.000 2.587 338 A HA 0.516 4.836 4.320 0.000 0.000 0.235 338 A C 0.764 178.608 177.584 0.433 0.000 1.044 338 A CA 0.698 52.918 52.037 0.305 0.000 0.754 338 A CB 0.065 19.176 19.000 0.184 0.000 0.968 338 A HN 1.560 nan 8.150 nan 0.000 0.509 339 A N 2.400 125.481 122.820 0.435 0.000 2.605 339 A HA 0.612 4.932 4.320 0.000 0.000 0.294 339 A C -0.996 176.590 177.584 0.004 0.000 1.062 339 A CA -0.538 51.563 52.037 0.106 0.000 0.682 339 A CB 0.951 19.687 19.000 -0.440 0.000 1.278 339 A HN 0.731 nan 8.150 nan 0.000 0.410 340 I N 2.654 123.125 120.570 -0.165 0.000 2.378 340 I HA 0.372 4.542 4.170 0.000 0.000 0.291 340 I C -0.188 175.781 176.117 -0.247 0.000 0.992 340 I CA -0.380 60.684 61.300 -0.393 0.000 1.154 340 I CB 1.661 39.271 38.000 -0.651 0.000 1.315 340 I HN 0.755 nan 8.210 nan 0.000 0.448 341 M N 5.636 125.088 119.600 -0.247 0.000 2.209 341 M HA 0.602 5.082 4.480 0.000 0.000 0.355 341 M C -0.342 175.821 176.300 -0.227 0.000 1.171 341 M CA -0.157 55.028 55.300 -0.192 0.000 1.069 341 M CB 1.202 33.709 32.600 -0.156 0.000 1.622 341 M HN 0.705 nan 8.290 nan 0.000 0.459 342 G N 4.385 113.102 108.800 -0.138 0.000 2.620 342 G HA2 0.681 4.641 3.960 0.000 0.000 0.301 342 G HA3 0.681 4.641 3.960 0.000 0.000 0.301 342 G C -1.962 172.898 174.900 -0.067 0.000 1.347 342 G CA -0.531 44.536 45.100 -0.053 0.000 0.971 342 G HN 0.654 nan 8.290 nan 0.000 0.488 343 F N 0.669 120.774 119.950 0.257 0.000 2.436 343 F HA 0.502 5.029 4.527 0.000 0.000 0.340 343 F C 0.557 176.479 175.800 0.203 0.000 1.113 343 F CA -0.708 57.445 58.000 0.256 0.000 1.022 343 F CB 2.123 41.304 39.000 0.301 0.000 1.128 343 F HN 0.058 nan 8.300 nan 0.000 0.466 344 I N 5.276 126.070 120.570 0.373 0.000 2.304 344 I HA 0.290 4.460 4.170 0.000 0.000 0.291 344 I C -0.712 175.508 176.117 0.171 0.000 1.018 344 I CA -0.348 61.083 61.300 0.218 0.000 1.260 344 I CB 0.898 38.992 38.000 0.156 0.000 1.390 344 I HN 0.382 nan 8.210 nan 0.000 0.475 345 L N 6.409 127.689 121.223 0.094 0.000 2.329 345 L HA 0.720 5.061 4.340 0.000 0.000 0.279 345 L C 0.904 177.750 176.870 -0.041 0.000 1.014 345 L CA -0.218 54.640 54.840 0.031 0.000 0.814 345 L CB 1.581 43.662 42.059 0.038 0.000 1.257 345 L HN 0.912 nan 8.230 nan 0.000 0.424 346 A N 2.099 124.889 122.820 -0.048 0.000 5.295 346 A HA -0.363 3.957 4.320 0.000 0.000 0.313 346 A C 1.679 179.262 177.584 -0.002 0.000 1.912 346 A CA 1.512 53.525 52.037 -0.039 0.000 0.714 346 A CB -1.600 17.374 19.000 -0.044 0.000 1.319 346 A HN 1.087 nan 8.150 nan 0.000 0.375 347 H N 0.982 120.048 119.070 -0.007 0.000 2.457 347 H HA -0.034 4.522 4.556 0.000 0.000 0.297 347 H C 1.665 177.015 175.328 0.036 0.000 1.092 347 H CA 1.853 57.914 56.048 0.021 0.000 1.309 347 H CB -0.380 29.402 29.762 0.033 0.000 1.382 347 H HN 0.736 nan 8.280 nan 0.000 0.535 348 K N 0.706 120.763 120.400 -0.573 0.000 2.211 348 K HA 0.070 4.390 4.320 0.000 0.000 0.203 348 K C 2.557 179.100 176.600 -0.095 0.000 1.050 348 K CA 0.855 56.934 56.287 -0.347 0.000 0.945 348 K CB 0.053 32.364 32.500 -0.316 0.000 0.732 348 K HN 0.334 nan 8.250 nan 0.000 0.451 349 A N 1.418 124.213 122.820 -0.040 0.000 1.930 349 A HA -0.155 4.165 4.320 0.000 0.000 0.217 349 A C 2.063 179.669 177.584 0.036 0.000 1.175 349 A CA 1.306 53.363 52.037 0.032 0.000 0.627 349 A CB -0.250 18.787 19.000 0.062 0.000 0.815 349 A HN 0.111 nan 8.150 nan 0.000 0.443 350 R N -0.210 120.310 120.500 0.033 0.000 2.062 350 R HA -0.046 4.294 4.340 0.000 0.000 0.231 350 R C 2.342 178.668 176.300 0.043 0.000 1.136 350 R CA 1.749 57.878 56.100 0.048 0.000 0.948 350 R CB -0.313 30.028 30.300 0.068 0.000 0.845 350 R HN 0.591 nan 8.270 nan 0.000 0.430 351 K N 0.563 120.987 120.400 0.040 0.000 2.026 351 K HA -0.101 4.219 4.320 0.000 0.000 0.208 351 K C 1.602 178.219 176.600 0.029 0.000 1.048 351 K CA 1.374 57.687 56.287 0.044 0.000 0.929 351 K CB -0.022 32.513 32.500 0.057 0.000 0.713 351 K HN 0.168 nan 8.250 nan 0.000 0.439 352 L N 0.281 121.516 121.223 0.019 0.000 2.558 352 L HA 0.084 4.424 4.340 0.000 0.000 0.225 352 L C 2.262 179.151 176.870 0.033 0.000 1.128 352 L CA 0.248 55.102 54.840 0.023 0.000 0.868 352 L CB -0.129 41.942 42.059 0.019 0.000 1.006 352 L HN 0.192 nan 8.230 nan 0.000 0.454 353 A N 0.627 123.469 122.820 0.036 0.000 2.070 353 A HA -0.170 4.150 4.320 0.000 0.000 0.220 353 A C 2.337 179.939 177.584 0.029 0.000 1.159 353 A CA 1.119 53.178 52.037 0.037 0.000 0.656 353 A CB -0.366 18.655 19.000 0.037 0.000 0.800 353 A HN 0.368 nan 8.150 nan 0.000 0.453 354 R N -0.637 119.878 120.500 0.026 0.000 2.148 354 R HA 0.066 4.406 4.340 0.000 0.000 0.227 354 R C 0.235 176.546 176.300 0.018 0.000 1.103 354 R CA 0.299 56.411 56.100 0.020 0.000 0.983 354 R CB -0.465 29.847 30.300 0.020 0.000 0.874 354 R HN 0.444 nan 8.270 nan 0.000 0.451 355 L N 0.652 121.886 121.223 0.020 0.000 2.475 355 L HA 0.123 4.463 4.340 0.000 0.000 0.253 355 L C 1.021 177.903 176.870 0.021 0.000 1.198 355 L CA -0.539 54.311 54.840 0.016 0.000 0.814 355 L CB 0.487 42.553 42.059 0.011 0.000 1.134 355 L HN 0.117 nan 8.230 nan 0.000 0.478 356 T N -2.861 111.703 114.554 0.016 0.000 2.849 356 T HA 0.121 4.471 4.350 0.000 0.000 0.284 356 T C 0.880 175.603 174.700 0.038 0.000 1.004 356 T CA -0.669 61.445 62.100 0.024 0.000 1.021 356 T CB 1.304 70.180 68.868 0.015 0.000 1.013 356 T HN 0.665 nan 8.240 nan 0.000 0.527 357 K N 0.421 120.860 120.400 0.065 0.000 2.044 357 K HA -0.223 4.097 4.320 0.000 0.000 0.210 357 K C 1.946 178.587 176.600 0.068 0.000 1.049 357 K CA 2.014 58.381 56.287 0.133 0.000 0.927 357 K CB -0.216 32.376 32.500 0.152 0.000 0.713 357 K HN 0.706 nan 8.250 nan 0.000 0.443 358 E N 0.678 120.889 120.200 0.018 0.000 2.110 358 E HA -0.163 4.187 4.350 0.000 0.000 0.193 358 E C 1.822 178.374 176.600 -0.080 0.000 0.988 358 E CA 1.467 57.843 56.400 -0.041 0.000 0.804 358 E CB 0.009 29.698 29.700 -0.018 0.000 0.745 358 E HN 0.408 nan 8.360 nan 0.000 0.458 359 E N 0.186 120.358 120.200 -0.047 0.000 2.072 359 E HA -0.125 4.225 4.350 0.000 0.000 0.191 359 E C 2.145 178.697 176.600 -0.081 0.000 0.985 359 E CA 0.730 57.099 56.400 -0.052 0.000 0.801 359 E CB -0.020 29.666 29.700 -0.024 0.000 0.750 359 E HN 0.128 nan 8.360 nan 0.000 0.452 360 R N 0.296 120.754 120.500 -0.070 0.000 2.075 360 R HA -0.136 4.204 4.340 0.000 0.000 0.232 360 R C 2.477 178.623 176.300 -0.257 0.000 1.126 360 R CA 0.827 56.874 56.100 -0.089 0.000 0.963 360 R CB -0.380 29.937 30.300 0.029 0.000 0.858 360 R HN 0.122 nan 8.270 nan 0.000 0.435 361 L N 1.852 122.797 121.223 -0.465 0.000 2.013 361 L HA -0.237 4.103 4.340 0.000 0.000 0.212 361 L C 2.200 178.846 176.870 -0.373 0.000 1.073 361 L CA 1.918 56.327 54.840 -0.718 0.000 0.753 361 L CB -0.479 41.108 42.059 -0.787 0.000 0.890 361 L HN 0.020 nan 8.230 nan 0.000 0.432 362 K N -0.561 119.698 120.400 -0.236 0.000 2.032 362 K HA -0.227 4.093 4.320 0.000 0.000 0.209 362 K C 2.213 178.722 176.600 -0.152 0.000 1.048 362 K CA 1.776 57.972 56.287 -0.151 0.000 0.927 362 K CB -0.105 32.336 32.500 -0.098 0.000 0.712 362 K HN 0.338 nan 8.250 nan 0.000 0.441 363 K N 0.158 120.466 120.400 -0.154 0.000 2.057 363 K HA -0.144 4.176 4.320 0.000 0.000 0.207 363 K C 2.104 178.566 176.600 -0.229 0.000 1.049 363 K CA 1.141 57.341 56.287 -0.144 0.000 0.931 363 K CB -0.087 32.350 32.500 -0.104 0.000 0.714 363 K HN 0.047 nan 8.250 nan 0.000 0.440 364 L N 0.736 121.765 121.223 -0.323 0.000 2.027 364 L HA -0.203 4.137 4.340 0.000 0.000 0.206 364 L C 2.437 178.863 176.870 -0.741 0.000 1.074 364 L CA 1.519 55.995 54.840 -0.607 0.000 0.745 364 L CB -0.731 41.005 42.059 -0.539 0.000 0.898 364 L HN 0.231 nan 8.230 nan 0.000 0.433 365 C N -0.682 118.404 119.300 -0.356 0.000 2.429 365 C HA -0.155 4.305 4.460 0.000 0.000 0.277 365 C C 2.641 177.596 174.990 -0.059 0.000 1.262 365 C CA 0.586 59.546 59.018 -0.097 0.000 1.733 365 C CB -0.790 26.953 27.740 0.004 0.000 2.010 365 C HN 0.549 nan 8.230 nan 0.000 0.483 366 E N 0.275 120.413 120.200 -0.103 0.000 2.106 366 E HA -0.201 4.149 4.350 0.000 0.000 0.192 366 E C 1.996 178.561 176.600 -0.058 0.000 0.984 366 E CA 0.873 57.240 56.400 -0.055 0.000 0.806 366 E CB -0.254 29.413 29.700 -0.054 0.000 0.750 366 E HN 0.510 nan 8.360 nan 0.000 0.458 367 L N 0.442 121.584 121.223 -0.134 0.000 1.994 367 L HA -0.208 4.132 4.340 0.000 0.000 0.208 367 L C 2.025 178.901 176.870 0.010 0.000 1.071 367 L CA 1.766 56.541 54.840 -0.108 0.000 0.745 367 L CB -0.686 41.268 42.059 -0.176 0.000 0.892 367 L HN 0.202 nan 8.230 nan 0.000 0.431 368 Y N -0.626 119.655 120.300 -0.032 0.000 2.207 368 Y HA -0.264 4.286 4.550 0.000 0.000 0.287 368 Y C 2.540 178.446 175.900 0.010 0.000 1.156 368 Y CA 0.353 58.438 58.100 -0.025 0.000 1.182 368 Y CB -0.565 37.919 38.460 0.041 0.000 0.979 368 Y HN 0.401 nan 8.280 nan 0.000 0.521 369 A N 0.551 123.481 122.820 0.184 0.000 1.908 369 A HA -0.257 4.063 4.320 0.000 0.000 0.218 369 A C 2.170 179.801 177.584 0.080 0.000 1.181 369 A CA 2.030 54.140 52.037 0.122 0.000 0.627 369 A CB -0.620 18.423 19.000 0.073 0.000 0.818 369 A HN 0.412 nan 8.150 nan 0.000 0.445 370 K N -0.437 119.987 120.400 0.040 0.000 2.001 370 K HA -0.077 4.243 4.320 0.000 0.000 0.208 370 K C 1.838 178.434 176.600 -0.006 0.000 1.048 370 K CA 1.607 57.907 56.287 0.021 0.000 0.932 370 K CB -0.252 32.246 32.500 -0.003 0.000 0.715 370 K HN 0.234 nan 8.250 nan 0.000 0.437 371 V N 1.592 121.440 119.914 -0.110 0.000 2.358 371 V HA -0.208 3.912 4.120 0.000 0.000 0.246 371 V C 2.110 178.148 176.094 -0.093 0.000 1.047 371 V CA 1.483 63.669 62.300 -0.190 0.000 1.035 371 V CB -0.302 31.352 31.823 -0.282 0.000 0.658 371 V HN 0.319 nan 8.190 nan 0.000 0.452 372 L N 0.424 121.627 121.223 -0.032 0.000 2.558 372 L HA 0.285 4.625 4.340 0.000 0.000 0.225 372 L C 1.644 178.637 176.870 0.205 0.000 1.128 372 L CA 0.665 55.521 54.840 0.027 0.000 0.868 372 L CB -0.704 41.455 42.059 0.167 0.000 1.006 372 L HN 0.542 nan 8.230 nan 0.000 0.454 373 G N 0.848 109.731 108.800 0.138 0.000 2.366 373 G HA2 -0.268 3.692 3.960 0.000 0.000 0.299 373 G HA3 -0.268 3.692 3.960 0.000 0.000 0.299 373 G C -0.038 174.949 174.900 0.146 0.000 1.020 373 G CA 0.545 45.728 45.100 0.139 0.000 1.026 373 G HN 0.350 nan 8.290 nan 0.000 0.512 374 S N -0.734 115.049 115.700 0.139 0.000 2.779 374 S HA 0.434 4.904 4.470 0.000 0.000 0.293 374 S C 1.217 175.806 174.600 -0.018 0.000 1.150 374 S CA -0.746 57.508 58.200 0.090 0.000 1.057 374 S CB 1.619 64.961 63.200 0.237 0.000 1.021 374 S HN 0.256 nan 8.310 nan 0.000 0.485 375 L N 2.060 123.248 121.223 -0.057 0.000 2.265 375 L HA -0.134 4.206 4.340 0.000 0.000 0.215 375 L C 2.212 178.982 176.870 -0.167 0.000 1.117 375 L CA 1.268 56.063 54.840 -0.076 0.000 0.782 375 L CB -0.370 41.657 42.059 -0.054 0.000 0.914 375 L HN 0.685 nan 8.230 nan 0.000 0.441 376 E N 0.391 120.368 120.200 -0.372 0.000 2.209 376 E HA -0.229 4.121 4.350 0.000 0.000 0.196 376 E C 2.243 178.469 176.600 -0.625 0.000 0.993 376 E CA 1.060 57.068 56.400 -0.654 0.000 0.819 376 E CB -0.186 28.770 29.700 -1.240 0.000 0.745 376 E HN 0.536 nan 8.360 nan 0.000 0.477 377 A N 0.844 123.402 122.820 -0.436 0.000 2.125 377 A HA -0.095 4.225 4.320 0.000 0.000 0.219 377 A C 1.920 179.686 177.584 0.303 0.000 1.156 377 A CA 0.742 52.826 52.037 0.079 0.000 0.671 377 A CB -0.351 18.831 19.000 0.304 0.000 0.794 377 A HN 0.164 nan 8.150 nan 0.000 0.459 378 L N -0.367 120.930 121.223 0.122 0.000 2.591 378 L HA 0.077 4.417 4.340 0.000 0.000 0.228 378 L C 0.194 177.141 176.870 0.128 0.000 1.133 378 L CA 0.137 55.043 54.840 0.110 0.000 0.880 378 L CB -0.019 42.063 42.059 0.038 0.000 1.033 378 L HN 0.206 nan 8.230 nan 0.000 0.450 379 E N 1.038 121.365 120.200 0.212 0.000 3.351 379 E HA 0.267 4.617 4.350 0.000 0.000 0.220 379 E C -2.277 174.486 176.600 0.272 0.000 1.150 379 E CA -1.670 54.841 56.400 0.185 0.000 1.359 379 E CB 0.334 30.100 29.700 0.111 0.000 1.365 379 E HN 0.144 nan 8.360 nan 0.000 0.434 380 P HA 0.020 nan 4.420 nan 0.000 0.272 380 P C 1.090 178.414 177.300 0.039 0.000 1.223 380 P CA -0.127 62.923 63.100 -0.084 0.000 0.784 380 P CB 1.497 33.107 31.700 -0.149 0.000 0.923 381 V N -1.977 117.980 119.914 0.072 0.000 3.565 381 V HA 0.319 4.439 4.120 0.000 0.000 0.260 381 V C 0.462 176.684 176.094 0.212 0.000 1.231 381 V CA 0.777 63.160 62.300 0.138 0.000 1.100 381 V CB -1.154 30.757 31.823 0.146 0.000 0.807 381 V HN 0.676 nan 8.190 nan 0.000 0.454 382 H N -1.178 117.962 119.070 0.116 0.000 2.987 382 H HA 0.621 5.177 4.556 0.000 0.000 0.316 382 H C -2.302 173.237 175.328 0.352 0.000 1.380 382 H CA -0.667 55.469 56.048 0.148 0.000 1.160 382 H CB 1.948 31.695 29.762 -0.024 0.000 1.865 382 H HN 0.157 nan 8.280 nan 0.000 0.521 383 Y N 1.538 121.571 120.300 -0.445 0.000 2.479 383 Y HA 0.508 5.058 4.550 0.000 0.000 0.338 383 Y C -1.720 174.068 175.900 -0.187 0.000 1.055 383 Y CA -0.622 57.401 58.100 -0.129 0.000 1.023 383 Y CB 1.741 40.133 38.460 -0.113 0.000 1.287 383 Y HN 0.628 nan 8.280 nan 0.000 0.447 384 E N 4.269 124.198 120.200 -0.451 0.000 2.340 384 E HA 0.426 4.776 4.350 0.000 0.000 0.273 384 E C -1.489 174.733 176.600 -0.630 0.000 0.891 384 E CA -0.794 55.364 56.400 -0.404 0.000 0.757 384 E CB 2.785 32.491 29.700 0.009 0.000 1.231 384 E HN 0.771 nan 8.360 nan 0.000 0.439 385 E N 0.355 120.307 120.200 -0.414 0.000 2.412 385 E HA 0.655 5.005 4.350 0.000 0.000 0.279 385 E C -1.236 175.325 176.600 -0.065 0.000 0.984 385 E CA -1.054 55.206 56.400 -0.233 0.000 0.788 385 E CB 2.572 32.119 29.700 -0.255 0.000 1.277 385 E HN 0.178 nan 8.360 nan 0.000 0.455 386 K N 1.371 121.785 120.400 0.022 0.000 2.581 386 K HA 0.269 4.589 4.320 0.000 0.000 0.249 386 K C -1.585 174.994 176.600 -0.034 0.000 0.966 386 K CA -0.738 55.502 56.287 -0.079 0.000 0.811 386 K CB 1.451 33.863 32.500 -0.147 0.000 1.223 386 K HN 0.521 nan 8.250 nan 0.000 0.438 387 N N 4.098 122.743 118.700 -0.093 0.000 2.437 387 N HA 0.097 4.837 4.740 0.000 0.000 0.243 387 N C -0.225 175.248 175.510 -0.062 0.000 1.041 387 N CA -0.362 52.696 53.050 0.014 0.000 0.940 387 N CB 0.339 38.840 38.487 0.022 0.000 1.133 387 N HN 0.647 nan 8.380 nan 0.000 0.506 388 W N 2.225 123.582 121.300 0.096 0.000 2.699 388 W HA 0.051 4.711 4.660 -0.000 0.000 0.249 388 W C 1.964 178.515 176.519 0.054 0.000 1.280 388 W CA -0.072 57.324 57.345 0.085 0.000 1.345 388 W CB -0.190 29.342 29.460 0.120 0.000 1.128 388 W HN 0.591 nan 8.180 nan 0.000 0.642 389 C N 0.502 119.922 119.300 0.200 0.000 2.419 389 C HA -0.168 4.292 4.460 0.000 0.000 0.283 389 C C 2.316 177.342 174.990 0.059 0.000 1.373 389 C CA 1.437 60.526 59.018 0.119 0.000 1.781 389 C CB -1.541 26.252 27.740 0.088 0.000 1.886 389 C HN 0.501 nan 8.230 nan 0.000 0.520 390 E N 0.739 120.951 120.200 0.021 0.000 2.489 390 E HA 0.005 4.355 4.350 0.000 0.000 0.193 390 E C -0.063 176.513 176.600 -0.040 0.000 1.057 390 E CA 0.331 56.717 56.400 -0.023 0.000 0.866 390 E CB -0.159 29.511 29.700 -0.051 0.000 0.916 390 E HN 0.487 nan 8.360 nan 0.000 0.500 391 E N 2.181 122.378 120.200 -0.006 0.000 2.129 391 E HA -0.013 4.337 4.350 0.000 0.000 0.283 391 E C 0.459 177.045 176.600 -0.022 0.000 1.080 391 E CA 0.006 56.406 56.400 0.000 0.000 0.867 391 E CB 1.522 31.283 29.700 0.103 0.000 1.056 391 E HN 0.355 nan 8.360 nan 0.000 0.404 392 Q N 2.995 122.715 119.800 -0.132 0.000 2.135 392 Q HA -0.185 4.155 4.340 0.000 0.000 0.204 392 Q C 0.342 176.102 176.000 -0.400 0.000 0.981 392 Q CA 1.588 57.192 55.803 -0.331 0.000 0.856 392 Q CB 0.100 28.505 28.738 -0.556 0.000 0.902 392 Q HN 0.597 nan 8.270 nan 0.000 0.425 393 Y N -0.920 119.411 120.300 0.052 0.000 2.571 393 Y HA 0.253 4.803 4.550 -0.000 0.000 0.275 393 Y C 1.400 177.364 175.900 0.107 0.000 1.179 393 Y CA -0.313 57.827 58.100 0.066 0.000 1.242 393 Y CB 0.905 39.396 38.460 0.051 0.000 1.126 393 Y HN 0.079 nan 8.280 nan 0.000 0.524 394 S N -1.681 114.147 115.700 0.213 0.000 2.931 394 S HA 0.290 4.760 4.470 0.000 0.000 0.251 394 S C 1.817 176.505 174.600 0.146 0.000 1.078 394 S CA 0.506 58.840 58.200 0.224 0.000 0.835 394 S CB 0.666 64.085 63.200 0.365 0.000 0.798 394 S HN 0.518 nan 8.310 nan 0.000 0.495 395 G N 1.079 109.946 108.800 0.112 0.000 2.199 395 G HA2 0.102 4.062 3.960 0.000 0.000 0.254 395 G HA3 0.102 4.062 3.960 0.000 0.000 0.254 395 G C 0.488 175.439 174.900 0.085 0.000 0.982 395 G CA 0.080 45.215 45.100 0.059 0.000 0.632 395 G HN 1.394 nan 8.290 nan 0.000 0.529 396 G N -2.362 106.533 108.800 0.159 0.000 2.362 396 G HA2 0.518 4.478 3.960 0.000 0.000 0.288 396 G HA3 0.518 4.478 3.960 0.000 0.000 0.288 396 G C -0.974 174.031 174.900 0.175 0.000 1.305 396 G CA 0.308 45.512 45.100 0.174 0.000 0.910 396 G HN 1.486 nan 8.290 nan 0.000 0.518 397 C N -1.631 117.732 119.300 0.106 0.000 3.311 397 C HA 0.591 5.051 4.460 0.000 0.000 0.325 397 C C 0.752 175.665 174.990 -0.128 0.000 1.352 397 C CA -0.649 58.376 59.018 0.012 0.000 1.308 397 C CB 0.776 28.439 27.740 -0.129 0.000 1.619 397 C HN 0.734 nan 8.230 nan 0.000 0.469 398 Y N 0.579 120.859 120.300 -0.033 0.000 2.337 398 Y HA 0.230 4.780 4.550 0.000 0.000 0.293 398 Y C 1.576 177.495 175.900 0.033 0.000 1.123 398 Y CA 1.135 59.203 58.100 -0.053 0.000 1.201 398 Y CB -0.471 37.976 38.460 -0.022 0.000 1.011 398 Y HN 0.682 nan 8.280 nan 0.000 0.545 399 T N -1.904 112.769 114.554 0.198 0.000 2.671 399 T HA 0.351 4.701 4.350 0.000 0.000 0.300 399 T C -0.822 173.991 174.700 0.188 0.000 1.238 399 T CA -0.688 61.556 62.100 0.240 0.000 1.020 399 T CB 1.098 70.206 68.868 0.399 0.000 1.503 399 T HN -0.153 nan 8.240 nan 0.000 0.497 400 T N 2.551 117.226 114.554 0.201 0.000 2.832 400 T HA 0.493 4.843 4.350 0.000 0.000 0.296 400 T C -0.827 173.892 174.700 0.032 0.000 0.968 400 T CA -0.003 62.115 62.100 0.029 0.000 1.107 400 T CB -0.363 68.515 68.868 0.017 0.000 0.916 400 T HN 0.460 nan 8.240 nan 0.000 0.517 401 Y N 1.120 121.211 120.300 -0.349 0.000 2.496 401 Y HA 0.794 5.344 4.550 0.000 0.000 0.331 401 Y C -1.233 174.109 175.900 -0.930 0.000 1.140 401 Y CA -2.198 55.335 58.100 -0.945 0.000 1.166 401 Y CB 0.727 38.756 38.460 -0.719 0.000 1.249 401 Y HN 0.400 nan 8.280 nan 0.000 0.479 402 F N 3.164 122.356 119.950 -1.263 0.000 2.402 402 F HA 0.560 5.087 4.527 0.000 0.000 0.355 402 F C -2.317 173.390 175.800 -0.156 0.000 1.123 402 F CA -2.768 54.866 58.000 -0.609 0.000 1.021 402 F CB 1.487 40.178 39.000 -0.515 0.000 1.160 402 F HN 0.363 nan 8.300 nan 0.000 0.451 403 P HA 0.109 nan 4.420 nan 0.000 0.273 403 P C -2.544 174.856 177.300 0.167 0.000 1.250 403 P CA -1.141 62.044 63.100 0.141 0.000 0.793 403 P CB -0.154 31.581 31.700 0.057 0.000 1.011 404 P HA -0.030 nan 4.420 nan 0.000 0.264 404 P C 0.916 178.308 177.300 0.154 0.000 1.183 404 P CA 1.288 64.490 63.100 0.170 0.000 0.763 404 P CB -0.092 31.690 31.700 0.136 0.000 0.807 405 G N 2.836 111.741 108.800 0.175 0.000 2.217 405 G HA2 -0.257 3.703 3.960 0.000 0.000 0.246 405 G HA3 -0.257 3.703 3.960 0.000 0.000 0.246 405 G C 0.783 175.799 174.900 0.193 0.000 0.990 405 G CA 0.055 45.249 45.100 0.156 0.000 0.627 405 G HN 0.434 nan 8.290 nan 0.000 0.522 406 I N 0.176 120.892 120.570 0.244 0.000 2.494 406 I HA 0.180 4.350 4.170 0.000 0.000 0.250 406 I C 2.593 178.954 176.117 0.406 0.000 1.112 406 I CA 1.205 62.704 61.300 0.332 0.000 1.438 406 I CB -1.095 37.024 38.000 0.198 0.000 1.111 406 I HN 0.273 nan 8.210 nan 0.000 0.431 407 L N 1.202 122.646 121.223 0.369 0.000 2.046 407 L HA -0.189 4.151 4.340 0.000 0.000 0.208 407 L C 2.629 179.573 176.870 0.124 0.000 1.077 407 L CA 2.459 57.392 54.840 0.155 0.000 0.747 407 L CB -0.972 41.078 42.059 -0.015 0.000 0.896 407 L HN 0.413 nan 8.230 nan 0.000 0.432 408 T N -4.174 110.464 114.554 0.140 0.000 2.821 408 T HA -0.147 4.203 4.350 0.000 0.000 0.267 408 T C 1.803 176.466 174.700 -0.060 0.000 1.046 408 T CA 0.960 63.112 62.100 0.087 0.000 1.139 408 T CB -0.330 68.594 68.868 0.095 0.000 0.871 408 T HN 0.350 nan 8.240 nan 0.000 0.454 409 Q N -0.090 119.674 119.800 -0.060 0.000 2.212 409 Q HA 0.111 4.451 4.340 0.000 0.000 0.199 409 Q C 1.134 176.821 176.000 -0.520 0.000 0.950 409 Q CA 1.189 56.815 55.803 -0.296 0.000 0.863 409 Q CB -0.011 28.541 28.738 -0.310 0.000 0.944 409 Q HN 0.776 nan 8.270 nan 0.000 0.465 410 Y N -1.729 118.504 120.300 -0.113 0.000 2.432 410 Y HA 0.265 4.815 4.550 0.000 0.000 0.252 410 Y C 2.030 177.807 175.900 -0.204 0.000 1.097 410 Y CA 0.080 58.097 58.100 -0.139 0.000 1.250 410 Y CB 0.170 38.591 38.460 -0.066 0.000 1.245 410 Y HN 0.083 nan 8.280 nan 0.000 0.522 411 G N 1.740 110.459 108.800 -0.136 0.000 2.469 411 G HA2 -0.307 3.653 3.960 0.000 0.000 0.220 411 G HA3 -0.307 3.653 3.960 0.000 0.000 0.220 411 G C 1.707 176.155 174.900 -0.753 0.000 1.136 411 G CA 1.279 46.198 45.100 -0.301 0.000 0.759 411 G HN 0.457 nan 8.290 nan 0.000 0.562 412 R N 0.226 119.970 120.500 -1.260 0.000 2.237 412 R HA 0.053 4.393 4.340 0.000 0.000 0.219 412 R C 1.890 177.949 176.300 -0.402 0.000 1.080 412 R CA 1.230 56.664 56.100 -1.109 0.000 0.995 412 R CB -0.577 29.114 30.300 -1.015 0.000 0.875 412 R HN 0.280 nan 8.270 nan 0.000 0.462 413 V N 1.440 121.176 119.914 -0.297 0.000 2.871 413 V HA -0.113 4.007 4.120 0.000 0.000 0.256 413 V C 2.439 178.430 176.094 -0.171 0.000 1.082 413 V CA 0.884 63.076 62.300 -0.180 0.000 1.105 413 V CB -0.487 31.258 31.823 -0.131 0.000 0.713 413 V HN 0.256 nan 8.190 nan 0.000 0.473 414 L N 0.974 122.131 121.223 -0.109 0.000 2.021 414 L HA -0.216 4.124 4.340 0.000 0.000 0.215 414 L C 2.458 179.267 176.870 -0.101 0.000 1.074 414 L CA 2.311 57.109 54.840 -0.069 0.000 0.760 414 L CB -0.176 41.939 42.059 0.094 0.000 0.889 414 L HN 0.478 nan 8.230 nan 0.000 0.433 415 R N -0.855 119.679 120.500 0.058 0.000 2.577 415 R HA 0.148 4.488 4.340 0.000 0.000 0.344 415 R C 0.470 176.918 176.300 0.245 0.000 1.037 415 R CA -0.251 55.974 56.100 0.207 0.000 1.102 415 R CB -0.063 30.422 30.300 0.309 0.000 1.313 415 R HN 0.206 nan 8.270 nan 0.000 0.561 416 Q N 2.683 122.549 119.800 0.109 0.000 2.286 416 Q HA 0.205 4.545 4.340 0.000 0.000 0.267 416 Q C -2.090 174.024 176.000 0.190 0.000 1.028 416 Q CA -2.079 53.790 55.803 0.111 0.000 0.901 416 Q CB 0.840 29.586 28.738 0.013 0.000 1.183 416 Q HN 0.030 nan 8.270 nan 0.000 0.392 417 P HA -0.052 nan 4.420 nan 0.000 0.267 417 P C -1.256 176.038 177.300 -0.011 0.000 1.200 417 P CA -0.045 62.995 63.100 -0.100 0.000 0.772 417 P CB 0.651 32.029 31.700 -0.538 0.000 0.855 418 V N 3.351 123.265 119.914 -0.000 0.000 2.275 418 V HA 0.147 4.267 4.120 0.000 0.000 0.272 418 V C 0.699 176.750 176.094 -0.071 0.000 1.028 418 V CA 0.123 62.424 62.300 0.001 0.000 0.810 418 V CB 0.087 31.953 31.823 0.071 0.000 1.043 418 V HN 0.780 nan 8.190 nan 0.000 0.453 419 D N 4.120 124.482 120.400 -0.062 0.000 4.372 419 D HA -0.309 4.331 4.640 0.000 0.000 0.169 419 D C 1.349 177.626 176.300 -0.039 0.000 0.680 419 D CA 2.448 56.428 54.000 -0.032 0.000 1.152 419 D CB -0.266 40.530 40.800 -0.007 0.000 0.585 419 D HN 0.571 nan 8.370 nan 0.000 0.493 420 R N -0.143 120.361 120.500 0.006 0.000 2.468 420 R HA 0.448 4.788 4.340 0.000 0.000 0.280 420 R C -0.218 176.172 176.300 0.150 0.000 0.963 420 R CA -0.156 56.044 56.100 0.167 0.000 1.083 420 R CB 0.471 30.816 30.300 0.076 0.000 1.200 420 R HN 0.294 nan 8.270 nan 0.000 0.541 421 I N 1.230 121.731 120.570 -0.115 0.000 2.315 421 I HA 0.227 4.397 4.170 0.000 0.000 0.291 421 I C -0.579 175.168 176.117 -0.618 0.000 1.006 421 I CA -0.652 60.497 61.300 -0.252 0.000 1.265 421 I CB 0.666 38.493 38.000 -0.288 0.000 1.387 421 I HN -0.083 nan 8.210 nan 0.000 0.475 422 Y N 5.264 125.312 120.300 -0.421 0.000 2.487 422 Y HA 0.542 5.092 4.550 0.000 0.000 0.337 422 Y C -0.525 175.035 175.900 -0.567 0.000 1.076 422 Y CA -0.695 57.194 58.100 -0.353 0.000 1.115 422 Y CB 1.589 39.967 38.460 -0.137 0.000 1.235 422 Y HN 0.286 nan 8.280 nan 0.000 0.468 423 F N 1.282 121.338 119.950 0.178 0.000 2.427 423 F HA 0.706 5.233 4.527 -0.000 0.000 0.348 423 F C 0.412 176.287 175.800 0.125 0.000 1.125 423 F CA -0.591 57.486 58.000 0.130 0.000 0.989 423 F CB 1.105 40.165 39.000 0.100 0.000 1.165 423 F HN 0.601 nan 8.300 nan 0.000 0.442 424 A N 2.314 125.280 122.820 0.242 0.000 3.322 424 A HA 0.952 5.272 4.320 0.000 0.000 0.201 424 A C 0.397 178.106 177.584 0.209 0.000 1.668 424 A CA -0.378 51.766 52.037 0.179 0.000 0.861 424 A CB -0.067 18.995 19.000 0.104 0.000 1.769 424 A HN 1.491 nan 8.150 nan 0.000 0.578 425 G N -2.558 106.343 108.800 0.168 0.000 2.785 425 G HA2 0.091 4.051 3.960 0.000 0.000 0.686 425 G HA3 0.091 4.051 3.960 0.000 0.000 0.686 425 G C 0.425 175.445 174.900 0.199 0.000 1.155 425 G CA 0.609 45.815 45.100 0.176 0.000 0.760 425 G HN 1.534 nan 8.290 nan 0.000 0.624 426 T N 0.231 114.901 114.554 0.193 0.000 2.803 426 T HA -0.117 4.233 4.350 0.000 0.000 0.269 426 T C 2.117 176.995 174.700 0.296 0.000 1.052 426 T CA 2.700 64.933 62.100 0.221 0.000 1.136 426 T CB -0.182 68.808 68.868 0.203 0.000 0.864 426 T HN 0.630 nan 8.240 nan 0.000 0.467 427 E N 0.470 120.858 120.200 0.313 0.000 2.267 427 E HA -0.071 4.279 4.350 0.000 0.000 0.197 427 E C 2.218 179.059 176.600 0.403 0.000 0.998 427 E CA 1.566 58.203 56.400 0.394 0.000 0.830 427 E CB -0.191 29.710 29.700 0.335 0.000 0.751 427 E HN 0.718 nan 8.360 nan 0.000 0.491 428 T N -2.650 112.107 114.554 0.337 0.000 3.086 428 T HA 0.461 4.811 4.350 0.000 0.000 0.250 428 T C 0.792 175.720 174.700 0.380 0.000 1.074 428 T CA 0.007 62.310 62.100 0.339 0.000 0.988 428 T CB 0.211 69.259 68.868 0.300 0.000 0.988 428 T HN 0.100 nan 8.240 nan 0.000 0.530 429 A N 1.759 124.803 122.820 0.373 0.000 2.346 429 A HA 0.537 4.857 4.320 0.000 0.000 0.252 429 A C 1.500 179.339 177.584 0.424 0.000 1.089 429 A CA 0.139 52.398 52.037 0.370 0.000 0.797 429 A CB 0.309 19.480 19.000 0.285 0.000 1.047 429 A HN 0.515 nan 8.150 nan 0.000 0.494 430 T N -2.565 112.220 114.554 0.384 0.000 3.044 430 T HA 0.247 4.597 4.350 0.000 0.000 0.260 430 T C 0.220 175.023 174.700 0.171 0.000 1.019 430 T CA 0.645 62.926 62.100 0.302 0.000 0.921 430 T CB -0.373 68.610 68.868 0.193 0.000 1.053 430 T HN 0.761 nan 8.240 nan 0.000 0.533 431 H N -1.098 118.000 119.070 0.047 0.000 2.934 431 H HA 0.270 4.826 4.556 0.000 0.000 0.340 431 H C -1.018 174.352 175.328 0.069 0.000 1.008 431 H CA -1.092 54.922 56.048 -0.057 0.000 1.317 431 H CB 0.912 30.698 29.762 0.040 0.000 1.670 431 H HN 0.297 nan 8.280 nan 0.000 0.516 432 W N 2.196 123.288 121.300 -0.348 0.000 5.121 432 W HA -0.249 4.411 4.660 0.000 0.000 0.372 432 W C 0.475 176.864 176.519 -0.216 0.000 1.394 432 W CA 0.967 58.088 57.345 -0.373 0.000 0.885 432 W CB -1.658 27.566 29.460 -0.393 0.000 2.520 432 W HN 0.402 nan 8.180 nan 0.000 1.455 433 S N 0.446 116.122 115.700 -0.041 0.000 2.558 433 S HA 0.370 4.840 4.470 0.000 0.000 0.293 433 S C 1.386 176.074 174.600 0.146 0.000 1.292 433 S CA 1.804 60.080 58.200 0.127 0.000 1.063 433 S CB 0.724 64.093 63.200 0.282 0.000 0.831 433 S HN 1.364 nan 8.310 nan 0.000 0.499 434 G N 3.400 112.395 108.800 0.324 0.000 2.259 434 G HA2 -0.155 3.805 3.960 0.000 0.000 0.217 434 G HA3 -0.155 3.805 3.960 0.000 0.000 0.217 434 G C -0.200 174.879 174.900 0.299 0.000 1.001 434 G CA 0.163 45.523 45.100 0.434 0.000 0.627 434 G HN 0.625 nan 8.290 nan 0.000 0.501 435 L N 0.328 121.677 121.223 0.211 0.000 2.271 435 L HA 0.635 4.975 4.340 0.000 0.000 0.265 435 L C 2.153 179.068 176.870 0.074 0.000 1.013 435 L CA -0.799 54.114 54.840 0.121 0.000 0.820 435 L CB 0.424 42.543 42.059 0.101 0.000 1.352 435 L HN 0.084 nan 8.230 nan 0.000 0.443 436 M N -0.173 119.437 119.600 0.016 0.000 2.149 436 M HA -0.219 4.261 4.480 0.000 0.000 0.261 436 M C 1.711 178.018 176.300 0.012 0.000 1.064 436 M CA 1.559 56.872 55.300 0.022 0.000 1.102 436 M CB -0.204 32.414 32.600 0.029 0.000 1.369 436 M HN 0.733 nan 8.290 nan 0.000 0.408 437 E N 0.752 120.921 120.200 -0.052 0.000 2.058 437 E HA -0.157 4.193 4.350 0.000 0.000 0.194 437 E C 1.951 178.579 176.600 0.046 0.000 0.997 437 E CA 2.095 58.458 56.400 -0.061 0.000 0.801 437 E CB -0.686 28.865 29.700 -0.248 0.000 0.746 437 E HN 0.428 nan 8.360 nan 0.000 0.450 438 G N 0.106 108.968 108.800 0.103 0.000 2.422 438 G HA2 -0.222 3.738 3.960 0.000 0.000 0.218 438 G HA3 -0.222 3.738 3.960 0.000 0.000 0.218 438 G C 1.721 176.706 174.900 0.142 0.000 1.146 438 G CA 1.182 46.375 45.100 0.154 0.000 0.769 438 G HN 0.483 nan 8.290 nan 0.000 0.547 439 A N 0.282 123.171 122.820 0.115 0.000 1.883 439 A HA -0.014 4.306 4.320 0.000 0.000 0.217 439 A C 2.626 180.256 177.584 0.077 0.000 1.186 439 A CA 2.100 54.197 52.037 0.100 0.000 0.624 439 A CB -0.739 18.309 19.000 0.080 0.000 0.822 439 A HN 0.289 nan 8.150 nan 0.000 0.444 440 V N 0.039 119.988 119.914 0.059 0.000 2.307 440 V HA -0.260 3.860 4.120 0.000 0.000 0.245 440 V C 2.542 178.666 176.094 0.051 0.000 1.045 440 V CA 2.206 64.531 62.300 0.042 0.000 1.024 440 V CB -0.807 31.033 31.823 0.029 0.000 0.651 440 V HN 0.743 nan 8.190 nan 0.000 0.449 441 E N 0.495 120.744 120.200 0.082 0.000 2.070 441 E HA -0.280 4.070 4.350 0.000 0.000 0.197 441 E C 2.228 178.866 176.600 0.063 0.000 1.004 441 E CA 1.777 58.238 56.400 0.102 0.000 0.805 441 E CB -0.183 29.625 29.700 0.181 0.000 0.744 441 E HN 0.550 nan 8.360 nan 0.000 0.451 442 A N 0.608 123.484 122.820 0.094 0.000 1.930 442 A HA -0.042 4.278 4.320 0.000 0.000 0.217 442 A C 2.402 180.003 177.584 0.028 0.000 1.175 442 A CA 1.617 53.702 52.037 0.080 0.000 0.627 442 A CB -0.959 18.132 19.000 0.153 0.000 0.815 442 A HN 0.446 nan 8.150 nan 0.000 0.443 443 G N -0.366 108.453 108.800 0.033 0.000 2.402 443 G HA2 -0.190 3.770 3.960 0.000 0.000 0.216 443 G HA3 -0.190 3.770 3.960 0.000 0.000 0.216 443 G C 1.443 176.324 174.900 -0.032 0.000 1.162 443 G CA 0.957 46.063 45.100 0.011 0.000 0.777 443 G HN 0.643 nan 8.290 nan 0.000 0.539 444 E N -0.228 119.949 120.200 -0.039 0.000 2.107 444 E HA -0.048 4.302 4.350 0.000 0.000 0.191 444 E C 2.575 179.094 176.600 -0.135 0.000 0.982 444 E CA 0.143 56.502 56.400 -0.067 0.000 0.809 444 E CB -0.101 29.575 29.700 -0.039 0.000 0.756 444 E HN 0.184 nan 8.360 nan 0.000 0.459 445 R N 1.342 121.725 120.500 -0.195 0.000 2.073 445 R HA -0.114 4.226 4.340 0.000 0.000 0.234 445 R C 2.112 178.227 176.300 -0.308 0.000 1.134 445 R CA 1.557 57.424 56.100 -0.389 0.000 0.952 445 R CB -0.381 29.504 30.300 -0.692 0.000 0.850 445 R HN 0.152 nan 8.270 nan 0.000 0.433 446 A N 0.833 123.547 122.820 -0.176 0.000 1.902 446 A HA -0.080 4.240 4.320 0.000 0.000 0.217 446 A C 2.445 179.916 177.584 -0.188 0.000 1.181 446 A CA 1.914 53.886 52.037 -0.107 0.000 0.623 446 A CB -0.795 18.202 19.000 -0.004 0.000 0.818 446 A HN 0.512 nan 8.150 nan 0.000 0.443 447 A N -0.119 122.607 122.820 -0.157 0.000 1.883 447 A HA -0.214 4.106 4.320 0.000 0.000 0.217 447 A C 2.253 179.707 177.584 -0.217 0.000 1.186 447 A CA 1.693 53.629 52.037 -0.169 0.000 0.624 447 A CB -0.505 18.431 19.000 -0.107 0.000 0.822 447 A HN 0.557 nan 8.150 nan 0.000 0.444 448 R N -0.546 119.833 120.500 -0.202 0.000 2.148 448 R HA -0.077 4.263 4.340 0.000 0.000 0.227 448 R C 2.030 178.202 176.300 -0.212 0.000 1.103 448 R CA 1.197 57.185 56.100 -0.187 0.000 0.983 448 R CB -0.261 29.938 30.300 -0.167 0.000 0.874 448 R HN 0.686 nan 8.270 nan 0.000 0.451 449 E N 0.696 120.728 120.200 -0.281 0.000 2.085 449 E HA -0.192 4.158 4.350 0.000 0.000 0.194 449 E C 1.956 178.228 176.600 -0.547 0.000 0.994 449 E CA 1.121 57.339 56.400 -0.303 0.000 0.801 449 E CB -0.076 29.475 29.700 -0.248 0.000 0.743 449 E HN 0.334 nan 8.360 nan 0.000 0.453 450 I N 0.898 121.016 120.570 -0.754 0.000 2.202 450 I HA -0.270 3.900 4.170 0.000 0.000 0.242 450 I C 2.323 178.109 176.117 -0.553 0.000 1.091 450 I CA 0.840 61.596 61.300 -0.907 0.000 1.368 450 I CB -0.161 37.361 38.000 -0.797 0.000 1.058 450 I HN 0.106 nan 8.210 nan 0.000 0.410 451 L N -0.040 120.988 121.223 -0.325 0.000 2.042 451 L HA -0.297 4.043 4.340 0.000 0.000 0.210 451 L C 2.728 179.519 176.870 -0.131 0.000 1.076 451 L CA 1.719 56.447 54.840 -0.186 0.000 0.749 451 L CB -0.953 41.035 42.059 -0.118 0.000 0.893 451 L HN 0.368 nan 8.230 nan 0.000 0.432 452 H N 0.073 119.026 119.070 -0.194 0.000 2.357 452 H HA -0.108 4.448 4.556 0.000 0.000 0.301 452 H C 2.133 177.395 175.328 -0.109 0.000 1.082 452 H CA 1.475 57.451 56.048 -0.120 0.000 1.342 452 H CB 0.033 29.742 29.762 -0.089 0.000 1.389 452 H HN 0.258 nan 8.280 nan 0.000 0.511 453 A N 0.502 123.155 122.820 -0.278 0.000 1.978 453 A HA -0.163 4.157 4.320 0.000 0.000 0.220 453 A C 2.246 179.731 177.584 -0.164 0.000 1.170 453 A CA 1.842 53.734 52.037 -0.242 0.000 0.636 453 A CB -0.629 18.203 19.000 -0.280 0.000 0.810 453 A HN 0.574 nan 8.150 nan 0.000 0.448 454 M N -1.274 118.214 119.600 -0.186 0.000 2.561 454 M HA 0.176 4.656 4.480 0.000 0.000 0.238 454 M C 1.281 177.536 176.300 -0.074 0.000 1.131 454 M CA 0.700 55.964 55.300 -0.060 0.000 1.046 454 M CB 0.159 32.732 32.600 -0.046 0.000 1.532 454 M HN 0.598 nan 8.290 nan 0.000 0.497 455 G N 1.301 110.015 108.800 -0.144 0.000 2.160 455 G HA2 -0.274 3.686 3.960 0.000 0.000 0.251 455 G HA3 -0.274 3.686 3.960 0.000 0.000 0.251 455 G C 0.835 175.699 174.900 -0.060 0.000 1.008 455 G CA 0.493 45.522 45.100 -0.118 0.000 0.724 455 G HN 0.489 nan 8.290 nan 0.000 0.514 456 K N -0.601 119.765 120.400 -0.056 0.000 2.262 456 K HA 0.315 4.635 4.320 0.000 0.000 0.200 456 K C 1.361 177.956 176.600 -0.008 0.000 1.049 456 K CA 1.251 57.519 56.287 -0.031 0.000 0.979 456 K CB 0.336 32.811 32.500 -0.041 0.000 0.773 456 K HN 0.806 nan 8.250 nan 0.000 0.474 457 I N -1.649 118.931 120.570 0.016 0.000 2.865 457 I HA 0.458 4.628 4.170 0.000 0.000 0.302 457 I C -2.964 173.240 176.117 0.144 0.000 1.140 457 I CA -3.004 58.327 61.300 0.052 0.000 1.021 457 I CB 2.307 40.324 38.000 0.028 0.000 1.233 457 I HN -0.251 nan 8.210 nan 0.000 0.427 458 P HA 0.119 nan 4.420 nan 0.000 0.274 458 P C 0.222 177.567 177.300 0.076 0.000 1.246 458 P CA -0.016 63.173 63.100 0.149 0.000 0.795 458 P CB 1.131 32.875 31.700 0.073 0.000 1.006 459 E N 0.800 120.966 120.200 -0.057 0.000 2.118 459 E HA -0.244 4.106 4.350 0.000 0.000 0.195 459 E C 1.163 177.678 176.600 -0.141 0.000 0.992 459 E CA 1.591 57.751 56.400 -0.401 0.000 0.804 459 E CB -0.183 29.349 29.700 -0.281 0.000 0.741 459 E HN 0.492 nan 8.360 nan 0.000 0.458 460 D N -0.144 120.237 120.400 -0.032 0.000 2.378 460 D HA -0.148 4.492 4.640 0.000 0.000 0.227 460 D C 0.834 177.158 176.300 0.040 0.000 1.012 460 D CA 0.610 54.624 54.000 0.022 0.000 0.905 460 D CB -0.102 40.713 40.800 0.026 0.000 0.895 460 D HN 0.349 nan 8.370 nan 0.000 0.532 461 E N -0.309 119.899 120.200 0.013 0.000 2.481 461 E HA 0.176 4.526 4.350 0.000 0.000 0.198 461 E C 1.911 178.501 176.600 -0.016 0.000 1.027 461 E CA -0.294 56.114 56.400 0.014 0.000 0.900 461 E CB 0.411 30.116 29.700 0.010 0.000 0.993 461 E HN 0.308 nan 8.360 nan 0.000 0.482 462 I N 0.074 120.618 120.570 -0.043 0.000 2.142 462 I HA -0.188 3.982 4.170 0.000 0.000 0.240 462 I C 0.513 176.478 176.117 -0.254 0.000 1.078 462 I CA 1.182 62.385 61.300 -0.163 0.000 1.343 462 I CB 0.033 37.925 38.000 -0.180 0.000 1.046 462 I HN 0.093 nan 8.210 nan 0.000 0.405 463 W N 1.654 122.949 121.300 -0.008 0.000 2.335 463 W HA 0.475 5.135 4.660 -0.000 0.000 0.307 463 W C 0.141 176.665 176.519 0.009 0.000 1.117 463 W CA -0.210 57.142 57.345 0.012 0.000 1.228 463 W CB 0.546 30.015 29.460 0.016 0.000 1.240 463 W HN -0.024 nan 8.180 nan 0.000 0.468 464 Q N 2.773 122.690 119.800 0.195 0.000 2.340 464 Q HA 0.407 4.747 4.340 0.000 0.000 0.268 464 Q C 0.123 176.200 176.000 0.129 0.000 1.031 464 Q CA -0.552 55.324 55.803 0.122 0.000 0.804 464 Q CB 1.675 30.448 28.738 0.058 0.000 1.286 464 Q HN 0.560 nan 8.270 nan 0.000 0.448 465 S N 2.503 118.264 115.700 0.102 0.000 2.584 465 S HA 0.223 4.693 4.470 0.000 0.000 0.270 465 S C -0.182 174.464 174.600 0.077 0.000 1.346 465 S CA -0.487 57.765 58.200 0.087 0.000 1.018 465 S CB 1.276 64.511 63.200 0.058 0.000 0.899 465 S HN 0.678 nan 8.310 nan 0.000 0.542 466 E N 1.008 121.256 120.200 0.080 0.000 2.199 466 E HA 0.572 4.922 4.350 0.000 0.000 0.265 466 E C -2.804 173.832 176.600 0.058 0.000 0.882 466 E CA -2.158 54.284 56.400 0.071 0.000 0.759 466 E CB 1.024 30.777 29.700 0.088 0.000 1.148 466 E HN 0.543 nan 8.360 nan 0.000 0.412 467 P HA 0.067 nan 4.420 nan 0.000 0.268 467 P C -0.788 176.535 177.300 0.039 0.000 1.205 467 P CA -0.183 62.938 63.100 0.036 0.000 0.771 467 P CB 0.520 32.237 31.700 0.028 0.000 0.858 468 E N 1.751 121.972 120.200 0.036 0.000 2.384 468 E HA 0.081 4.431 4.350 0.000 0.000 0.266 468 E C -0.093 176.523 176.600 0.026 0.000 1.012 468 E CA -0.318 56.103 56.400 0.035 0.000 0.901 468 E CB 0.407 30.127 29.700 0.032 0.000 0.967 468 E HN 0.380 nan 8.360 nan 0.000 0.435 469 S N 2.887 118.601 115.700 0.022 0.000 2.558 469 S HA -0.062 4.408 4.470 0.000 0.000 0.293 469 S C 1.202 175.810 174.600 0.013 0.000 1.292 469 S CA -0.049 58.160 58.200 0.015 0.000 1.063 469 S CB 0.758 63.961 63.200 0.006 0.000 0.831 469 S HN 0.541 nan 8.310 nan 0.000 0.499 470 V N 1.895 121.817 119.914 0.014 0.000 2.871 470 V HA 0.054 4.174 4.120 0.000 0.000 0.256 470 V C 1.486 177.586 176.094 0.010 0.000 1.082 470 V CA 1.500 63.808 62.300 0.012 0.000 1.105 470 V CB -0.568 31.262 31.823 0.013 0.000 0.713 470 V HN 0.810 nan 8.190 nan 0.000 0.473 471 D N 0.961 121.367 120.400 0.010 0.000 2.271 471 D HA 0.100 4.740 4.640 0.000 0.000 0.206 471 D C 0.806 177.104 176.300 -0.002 0.000 0.967 471 D CA 1.057 55.062 54.000 0.008 0.000 0.867 471 D CB 0.795 41.604 40.800 0.015 0.000 0.960 471 D HN 0.511 nan 8.370 nan 0.000 0.509 472 V N 3.711 123.620 119.914 -0.009 0.000 2.320 472 V HA 0.197 4.317 4.120 0.000 0.000 0.257 472 V C -2.388 173.698 176.094 -0.013 0.000 0.996 472 V CA -1.290 60.996 62.300 -0.024 0.000 0.928 472 V CB 1.252 33.043 31.823 -0.053 0.000 1.169 472 V HN -0.049 nan 8.190 nan 0.000 0.475 473 P HA 0.362 nan 4.420 nan 0.000 0.274 473 P C -0.404 176.900 177.300 0.006 0.000 1.231 473 P CA 0.009 63.112 63.100 0.005 0.000 0.790 473 P CB 1.579 33.283 31.700 0.006 0.000 0.951 474 A N 3.146 125.976 122.820 0.017 0.000 2.260 474 A HA 0.303 4.623 4.320 0.000 0.000 0.314 474 A C 0.285 177.881 177.584 0.020 0.000 1.257 474 A CA -0.546 51.506 52.037 0.025 0.000 0.871 474 A CB 0.186 19.213 19.000 0.046 0.000 1.166 474 A HN 0.435 nan 8.150 nan 0.000 0.522 475 Q N 2.957 122.766 119.800 0.016 0.000 2.327 475 Q HA 0.296 4.636 4.340 0.000 0.000 0.254 475 Q C -2.235 173.773 176.000 0.014 0.000 0.952 475 Q CA -1.663 54.148 55.803 0.013 0.000 0.884 475 Q CB 0.802 29.546 28.738 0.010 0.000 1.224 475 Q HN 0.562 nan 8.270 nan 0.000 0.422 476 P HA 0.114 nan 4.420 nan 0.000 0.269 476 P C -0.291 177.010 177.300 0.003 0.000 1.215 476 P CA -0.222 62.881 63.100 0.005 0.000 0.780 476 P CB 0.714 32.415 31.700 0.001 0.000 0.898 477 I N 2.290 122.857 120.570 -0.004 0.000 2.352 477 I HA 0.157 4.327 4.170 0.000 0.000 0.290 477 I C 1.229 177.338 176.117 -0.013 0.000 1.036 477 I CA 0.209 61.504 61.300 -0.008 0.000 1.336 477 I CB 0.126 38.115 38.000 -0.018 0.000 1.407 477 I HN 0.411 nan 8.210 nan 0.000 0.497 478 T N 2.119 116.668 114.554 -0.007 0.000 2.932 478 T HA 0.810 5.160 4.350 0.000 0.000 0.289 478 T C -0.002 174.688 174.700 -0.018 0.000 1.039 478 T CA -0.683 61.411 62.100 -0.009 0.000 1.024 478 T CB 2.184 71.054 68.868 0.003 0.000 1.090 478 T HN 0.642 nan 8.240 nan 0.000 0.496 479 T N -1.234 113.305 114.554 -0.025 0.000 2.916 479 T HA 0.721 5.071 4.350 0.000 0.000 0.292 479 T C 0.271 174.965 174.700 -0.009 0.000 1.055 479 T CA -0.726 61.350 62.100 -0.040 0.000 1.009 479 T CB 1.336 70.156 68.868 -0.081 0.000 1.118 479 T HN 1.015 nan 8.240 nan 0.000 0.497 480 T N -0.399 114.154 114.554 -0.001 0.000 2.874 480 T HA 0.402 4.752 4.350 0.000 0.000 0.281 480 T C 0.870 175.620 174.700 0.084 0.000 0.994 480 T CA -0.835 61.300 62.100 0.059 0.000 1.015 480 T CB 0.602 69.510 68.868 0.067 0.000 1.028 480 T HN 0.536 nan 8.240 nan 0.000 0.523 481 F N 0.820 120.790 119.950 0.033 0.000 2.091 481 F HA -0.039 4.488 4.527 0.000 0.000 0.299 481 F C 1.948 177.817 175.800 0.116 0.000 1.103 481 F CA 1.493 59.555 58.000 0.103 0.000 1.228 481 F CB -0.460 38.603 39.000 0.105 0.000 0.984 481 F HN 0.505 nan 8.300 nan 0.000 0.477 482 L N -0.092 121.246 121.223 0.191 0.000 2.056 482 L HA -0.205 4.135 4.340 0.000 0.000 0.207 482 L C 2.401 179.263 176.870 -0.014 0.000 1.078 482 L CA 1.669 56.568 54.840 0.098 0.000 0.749 482 L CB -0.784 41.364 42.059 0.148 0.000 0.901 482 L HN 0.170 nan 8.230 nan 0.000 0.433 483 E N -0.099 120.085 120.200 -0.026 0.000 2.085 483 E HA -0.237 4.113 4.350 0.000 0.000 0.194 483 E C 2.350 178.833 176.600 -0.194 0.000 0.994 483 E CA 1.139 57.484 56.400 -0.092 0.000 0.801 483 E CB -0.016 29.625 29.700 -0.097 0.000 0.743 483 E HN 0.399 nan 8.360 nan 0.000 0.453 484 R N -0.447 119.871 120.500 -0.302 0.000 2.092 484 R HA -0.050 4.290 4.340 0.000 0.000 0.231 484 R C 1.772 177.670 176.300 -0.670 0.000 1.119 484 R CA 1.038 56.820 56.100 -0.532 0.000 0.970 484 R CB 0.030 29.889 30.300 -0.735 0.000 0.864 484 R HN 0.306 nan 8.270 nan 0.000 0.440 485 H N -0.836 118.030 119.070 -0.339 0.000 2.874 485 H HA 0.206 4.762 4.556 0.000 0.000 0.264 485 H C 0.378 175.594 175.328 -0.186 0.000 1.007 485 H CA -0.198 55.653 56.048 -0.328 0.000 1.207 485 H CB 0.473 29.881 29.762 -0.590 0.000 1.487 485 H HN 0.026 nan 8.280 nan 0.000 0.505 486 L N 4.512 125.708 121.223 -0.045 0.000 2.490 486 L HA 0.048 4.388 4.340 0.000 0.000 0.274 486 L C -1.646 175.206 176.870 -0.030 0.000 1.201 486 L CA -1.381 53.459 54.840 -0.000 0.000 0.869 486 L CB 0.310 42.402 42.059 0.055 0.000 1.123 486 L HN -0.016 nan 8.230 nan 0.000 0.484 487 P HA 0.098 nan 4.420 nan 0.000 0.274 487 P C -0.562 176.691 177.300 -0.078 0.000 1.237 487 P CA -0.556 62.511 63.100 -0.055 0.000 0.793 487 P CB 0.958 32.625 31.700 -0.055 0.000 0.977 488 S N 0.332 115.965 115.700 -0.112 0.000 2.626 488 S HA 0.080 4.550 4.470 0.000 0.000 0.257 488 S C 1.531 175.992 174.600 -0.231 0.000 1.288 488 S CA -0.550 57.558 58.200 -0.154 0.000 0.980 488 S CB -0.398 62.705 63.200 -0.163 0.000 0.975 488 S HN 0.226 nan 8.310 nan 0.000 0.577 489 V N 2.364 122.072 119.914 -0.343 0.000 2.261 489 V HA -0.073 4.047 4.120 0.000 0.000 0.246 489 V C -0.427 175.245 176.094 -0.704 0.000 1.047 489 V CA 1.924 63.934 62.300 -0.484 0.000 1.015 489 V CB -1.928 29.601 31.823 -0.490 0.000 0.642 489 V HN 0.801 nan 8.190 nan 0.000 0.446 490 P HA -0.104 nan 4.420 nan 0.000 0.218 490 P C 1.755 178.845 177.300 -0.350 0.000 1.149 490 P CA 1.940 64.576 63.100 -0.774 0.000 0.817 490 P CB -0.286 31.062 31.700 -0.587 0.000 0.785 491 G N 0.728 109.365 108.800 -0.270 0.000 2.418 491 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 491 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 491 G C 1.532 176.352 174.900 -0.133 0.000 1.158 491 G CA 0.642 45.649 45.100 -0.155 0.000 0.771 491 G HN 0.249 nan 8.290 nan 0.000 0.545 492 L N 0.348 121.478 121.223 -0.156 0.000 2.046 492 L HA 0.106 4.446 4.340 0.000 0.000 0.208 492 L C 2.716 179.522 176.870 -0.108 0.000 1.077 492 L CA 1.313 56.086 54.840 -0.112 0.000 0.747 492 L CB -0.322 41.674 42.059 -0.105 0.000 0.896 492 L HN 0.210 nan 8.230 nan 0.000 0.432 493 L N -1.010 120.118 121.223 -0.157 0.000 2.046 493 L HA -0.187 4.153 4.340 0.000 0.000 0.208 493 L C 2.758 179.582 176.870 -0.076 0.000 1.077 493 L CA 1.193 55.962 54.840 -0.119 0.000 0.747 493 L CB -0.513 41.447 42.059 -0.165 0.000 0.896 493 L HN 0.215 nan 8.230 nan 0.000 0.432 494 R N -0.421 120.028 120.500 -0.085 0.000 2.092 494 R HA -0.155 4.185 4.340 0.000 0.000 0.231 494 R C 2.229 178.507 176.300 -0.037 0.000 1.119 494 R CA 1.078 57.148 56.100 -0.049 0.000 0.970 494 R CB -0.347 29.924 30.300 -0.048 0.000 0.864 494 R HN 0.200 nan 8.270 nan 0.000 0.440 495 L N 0.768 121.964 121.223 -0.045 0.000 2.093 495 L HA -0.113 4.227 4.340 0.000 0.000 0.208 495 L C 2.003 178.859 176.870 -0.024 0.000 1.085 495 L CA 1.503 56.324 54.840 -0.031 0.000 0.755 495 L CB -0.101 41.938 42.059 -0.034 0.000 0.904 495 L HN 0.104 nan 8.230 nan 0.000 0.435 496 I N -1.236 119.317 120.570 -0.028 0.000 2.252 496 I HA -0.187 3.983 4.170 0.000 0.000 0.245 496 I C 2.455 178.565 176.117 -0.012 0.000 1.102 496 I CA 1.213 62.502 61.300 -0.018 0.000 1.385 496 I CB -0.988 37.001 38.000 -0.020 0.000 1.064 496 I HN 0.341 nan 8.210 nan 0.000 0.414 497 G N 1.119 109.911 108.800 -0.014 0.000 2.440 497 G HA2 -0.199 3.761 3.960 0.000 0.000 0.218 497 G HA3 -0.199 3.761 3.960 0.000 0.000 0.218 497 G C 1.700 176.597 174.900 -0.004 0.000 1.154 497 G CA 0.619 45.716 45.100 -0.006 0.000 0.767 497 G HN 0.276 nan 8.290 nan 0.000 0.552 498 L N 0.426 121.645 121.223 -0.007 0.000 2.156 498 L HA -0.034 4.306 4.340 0.000 0.000 0.208 498 L C 3.076 179.943 176.870 -0.004 0.000 1.095 498 L CA 1.401 56.238 54.840 -0.005 0.000 0.770 498 L CB -0.588 41.467 42.059 -0.007 0.000 0.914 498 L HN 0.172 nan 8.230 nan 0.000 0.439 499 T N -1.645 112.906 114.554 -0.005 0.000 2.904 499 T HA -0.110 4.240 4.350 0.000 0.000 0.267 499 T C 1.901 176.600 174.700 -0.002 0.000 1.059 499 T CA 1.528 63.626 62.100 -0.004 0.000 1.137 499 T CB -0.139 68.726 68.868 -0.004 0.000 0.879 499 T HN 0.297 nan 8.240 nan 0.000 0.467 500 T N 1.659 116.213 114.554 -0.001 0.000 2.812 500 T HA 0.174 4.524 4.350 0.000 0.000 0.264 500 T C 1.317 176.018 174.700 0.002 0.000 1.042 500 T CA 1.150 63.250 62.100 0.001 0.000 1.140 500 T CB -0.641 68.228 68.868 0.002 0.000 0.870 500 T HN 0.540 nan 8.240 nan 0.000 0.445 501 I N 0.000 120.571 120.570 0.001 0.000 2.984 501 I HA 0.000 4.170 4.170 0.000 0.000 0.288 501 I CA 0.000 61.301 61.300 0.002 0.000 1.566 501 I CB 0.000 38.002 38.000 0.003 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494